Glycine_Group_Centers.arc

96 12_Glycine
     1  C     11.239121    1.690465  -12.324156   224     2     4     5     6
     2  C     10.273809    0.523354  -12.519913   226     1     3     7
     3  O     10.095998    0.028576  -13.612986   227     2
     4  H     11.240279    2.071729  -11.289073   225     1
     5  H     11.045785    2.673156  -12.947957   225     1
     6  H     12.325723    1.400021  -12.456937   225     1
     7  N      9.683865    0.131403  -11.382875     1     2     8    11
     8  CA     8.932581   -1.088716  -11.051189     2     7     9    12    13
     9  C      9.838553   -2.243212  -11.063889     3     8    10    14
    10  O     11.054163   -2.096378  -10.993670     5     9
    11  HN     9.969183    0.492648  -10.422642     4     7
    12  H      8.382317   -0.898053  -10.094354     6     8
    13  H      8.151535   -1.240844  -11.807402     6     8
    14  N      9.163864   -3.430835  -11.114226     1     9    15    18
    15  CA     9.775108   -4.733037  -11.343384     2    14    16    19    20
    16  C     10.446347   -4.763902  -12.746863     3    15    17    21
    17  O     10.448804   -3.760906  -13.493799     5    16
    18  HN     8.132468   -3.464059  -10.989072     4    14
    19  H     10.530557   -4.912959  -10.535738     6    15
    20  H      8.994906   -5.500568  -11.167615     6    15
    21  N     11.068016   -5.893683  -12.998884     1    16    22    25
    22  CA    11.688634   -6.262365  -14.283417     2    21    23    26    27
    23  C     13.218838   -6.485858  -14.324023     3    22    24    28
    24  O     13.717372   -7.161265  -15.213668     5    23
    25  HN    11.447694   -6.591539  -12.294827     4    21
    26  H     11.350358   -7.280550  -14.608201     6    22
    27  H     11.434490   -5.580744  -15.173041     6    22
    28  N     13.978382   -5.943480  -13.284351     1    23    29    32
    29  CA    15.400552   -5.726080  -13.422837     2    28    30    33    34
    30  C     16.205219   -5.768866  -12.121680     3    29    31    35
    31  O     17.374801   -5.336388  -12.092329     5    30
    32  HN    13.504951   -5.534785  -12.449814     4    28
    33  H     15.808894   -6.392706  -14.184114     6    29
    34  H     15.535046   -4.771636  -13.871807     6    29
    35  N     15.561567   -6.361163  -11.018635     1    30    36    39
    36  CA    16.019667   -6.502941   -9.693444     2    35    37    40    41
    37  C     15.681715   -5.523260   -8.514858     3    36    38    42
    38  O     16.252701   -5.700747   -7.481896     5    37
    39  HN    14.577950   -6.714924  -11.120526     4    35
    40  H     15.711700   -7.504681   -9.433517     6    36
    41  H     17.110727   -6.495110   -9.670030     6    36
    42  N     14.678594   -4.675325   -8.693940     1    37    43    46
    43  CA    13.876362   -4.093038   -7.667973     2    42    44    47    48
    44  C     12.388547   -4.326085   -7.769574     3    43    45    49
    45  O     11.973085   -5.244099   -8.543246     5    44
    46  HN    14.299683   -4.641034   -9.623831     4    42
    47  H     14.228450   -4.497775   -6.690103     6    43
    48  H     14.121644   -2.999637   -7.637334     6    43
    49  N     11.587456   -3.608826   -6.966366     1    44    50    53
    50  CA    10.196950   -3.718136   -6.875197     2    49    51    54    55
    51  C      9.502842   -2.440561   -7.295838     3    50    52    56
    52  O     10.070598   -1.488892   -7.883420     5    51
    53  HN    11.917980   -2.889091   -6.237128     4    49
    54  H      9.803229   -4.555332   -7.529020     6    50
    55  H      9.918146   -3.806454   -5.773805     6    50
    56  N      8.223761   -2.348836   -6.890739     1    51    57    60
    57  CA     7.297177   -1.266155   -7.183986     2    56    58    61    62
    58  C      7.421951   -0.130435   -6.222517     3    57    59    63
    59  O      8.186050   -0.100834   -5.224153     5    58
    60  HN     7.857619   -3.216496   -6.550299     4    56
    61  H      7.428017   -0.921636   -8.247052     6    57
    62  H      6.240750   -1.679904   -7.154264     6    57
    63  N      6.690778    0.900105   -6.615771     1    58    64    67
    64  CA     6.474301    2.197085   -5.908981     2    63    65    68    69
    65  C      7.585927    3.175680   -5.992861     3    64    66    70
    66  O      8.358833    3.139576   -6.907966     5    65
    67  HN     6.077254    0.797841   -7.408120     4    63
    68  H      5.517161    2.599786   -6.240956     6    64
    69  H      6.303141    1.978776   -4.865306     6    64
    70  N      7.591122    4.141940   -5.010700     1    65    71    74
    71  CA     8.506062    5.291787   -5.014020     2    70    72    75    76
    72  C      9.583675    4.971093   -4.020819     3    71    73    77
    73  O      9.688825    3.904203   -3.415398     5    72
    74  HN     6.956642    4.046732   -4.208495     4    70
    75  H      8.979928    5.440940   -6.033621     6    71
    76  H      7.994671    6.231869   -4.797120     6    71
    77  N     10.488234    5.942472   -3.844222     1    72    78    81
    78  CA    11.540618    5.941162   -2.869180     2    77    79    82    83
    79  C     11.234224    7.043450   -1.853328     3    78    80    84
    80  O     10.140766    7.619471   -1.708189     5    79
    81  HN    10.463372    6.795563   -4.470326     4    77
    82  H     11.692327    4.868668   -2.505737     6    78
    83  H     12.562667    6.213210   -3.322470     6    78
    84  N     12.260367    7.336773   -1.064426     1    79    85    88
    85  CA    12.433485    8.320950   -0.049915     2    84    86    89    90
    86  C     11.759298    7.835889    1.284767     3    85    87    91
    87  O     11.513603    6.663181    1.499990     5    86
    88  HN    13.189941    6.828572   -1.216467     4    84
    89  H     13.506991    8.400016    0.083237     6    85
    90  H     12.118949    9.315966   -0.481597     6    85
    91  N     11.404560    8.884341    2.090097   230    86    92    93
    92  C     10.779373    8.707017    3.446048   232    91    94    95    96
    93  HN    11.624137    9.854506    1.851206   231    91
    94  H     11.249655    9.347650    4.167714   233    92
    95  H     10.907857    7.695216    3.863880   233    92
    96  H      9.653713    8.889757    3.399090   233    92
96 12_Glycine
     1  C      9.318235  -16.031666  -16.492510   224     2     4     5     6
     2  C     10.564005  -15.299509  -15.877160   226     1     3     7
     3  O     11.391980  -15.928928  -15.147144   227     2
     4  H      9.438842  -17.194398  -16.598399   225     1
     5  H      9.244177  -15.684027  -17.533991   225     1
     6  H      8.358767  -15.586677  -15.990805   225     1
     7  N     10.752375  -14.001652  -16.090467     1     2     8    11
     8  CA    11.764689  -13.070038  -15.617613     2     7     9    12    13
     9  C     11.989169  -11.719679  -16.361507     3     8    10    14
    10  O     12.459562  -10.710996  -15.742550     5     9
    11  HN     9.946103  -13.575300  -16.628956     4     7
    12  H     11.528148  -12.773920  -14.582306     6     8
    13  H     12.779406  -13.547548  -15.559703     6     8
    14  N     11.597457  -11.603953  -17.649266     1     9    15    18
    15  CA    11.433988  -10.307865  -18.353588     2    14    16    19    20
    16  C     10.387324  -10.204873  -19.412546     3    15    17    21
    17  O     10.463615   -9.239977  -20.145590     5    16
    18  HN    11.419106  -12.445697  -18.222364     4    14
    19  H     11.216443   -9.531542  -17.666835     6    15
    20  H     12.465186   -9.928894  -18.851709     6    15
    21  N      9.517288  -11.281126  -19.642449     1    16    22    25
    22  CA     8.631342  -11.398027  -20.839708     2    21    23    26    27
    23  C      7.321971  -12.142846  -20.674286     3    22    24    28
    24  O      6.504824  -12.318075  -21.567683     5    23
    25  HN     9.488878  -12.034115  -18.984785     4    21
    26  H      8.380607  -10.345429  -21.153234     6    22
    27  H      9.240211  -11.909578  -21.651980     6    22
    28  N      7.157102  -12.686595  -19.425689     1    23    29    32
    29  CA     5.949775  -13.371843  -19.035726     2    28    30    33    34
    30  C      5.367286  -12.931091  -17.677869     3    29    31    35
    31  O      5.389754  -11.716382  -17.265796     5    30
    32  HN     7.751976  -12.687036  -18.624780     4    28
    33  H      5.176244  -13.333011  -19.829478     6    29
    34  H      6.186898  -14.451063  -19.031034     6    29
    35  N      4.752307  -13.873340  -16.871286     1    30    36    39
    36  CA     4.337088  -13.639798  -15.483186     2    35    37    40    41
    37  C      5.585296  -13.504699  -14.696963     3    36    38    42
    38  O      6.658772  -13.776944  -15.188463     5    37
    39  HN     4.897457  -14.857876  -17.191213     4    35
    40  H      3.702727  -12.661808  -15.461557     6    36
    41  H      3.741494  -14.508416  -15.058827     6    36
    42  N      5.419303  -13.029300  -13.403801     1    37    43    46
    43  CA     6.491810  -12.934881  -12.335724     2    42    44    47    48
    44  C      6.383897  -11.734962  -11.415882     3    43    45    49
    45  O      6.906890  -11.821004  -10.269945     5    44
    46  HN     4.478779  -12.783798  -12.967236     4    42
    47  H      6.427449  -13.847735  -11.701245     6    43
    48  H      7.456990  -12.915485  -12.885071     6    43
    49  N      5.697127  -10.645688  -11.856598     1    44    50    53
    50  CA     5.314474   -9.443064  -11.143631     2    49    51    54    55
    51  C      4.074506   -8.829485  -11.703373     3    50    52    56
    52  O      3.209496   -9.592076  -12.136916     5    51
    53  HN     5.686479  -10.578527  -12.873478     4    49
    54  H      5.216754   -9.745849  -10.062665     6    50
    55  H      6.153539   -8.694861  -11.189910     6    50
    56  N      3.976654   -7.481147  -11.656905     1    51    57    60
    57  CA     2.837258   -6.656079  -12.084925     2    56    58    61    62
    58  C      2.023783   -5.937017  -11.000873     3    57    59    63
    59  O      1.081640   -5.171743  -11.242792     5    58
    60  HN     4.755562   -6.830580  -11.305841     4    56
    61  H      3.188771   -5.818967  -12.799095     6    57
    62  H      2.194615   -7.287263  -12.746886     6    57
    63  N      2.670260   -5.852216   -9.756725     1    58    64    67
    64  CA     2.206718   -5.031121   -8.643893     2    63    65    68    69
    65  C      1.416173   -5.747487   -7.625008     3    64    66    70
    66  O      1.536493   -6.990410   -7.467167     5    65
    67  HN     3.436746   -6.452448   -9.580071     4    63
    68  H      3.139961   -4.710789   -8.042120     6    64
    69  H      1.829956   -4.002938   -8.938193     6    64
    70  N      0.636204   -5.052265   -6.825013     1    65    71    74
    71  CA    -0.160267   -5.466564   -5.690768     2    70    72    75    76
    72  C     -1.635245   -5.024529   -5.778965     3    71    73    77
    73  O     -2.382637   -5.138944   -4.778297     5    72
    74  HN     0.654946   -4.011418   -6.955508     4    70
    75  H     -0.082830   -6.602678   -5.559816     6    71
    76  H      0.231145   -5.096861   -4.729504     6    71
    77  N     -2.138378   -4.477278   -6.934956     1    72    78    81
    78  CA    -3.558976   -4.225572   -7.192004     2    77    79    82    83
    79  C     -4.186136   -5.630042   -7.600600     3    78    80    84
    80  O     -3.454488   -6.629585   -7.865963     5    79
    81  HN    -1.557424   -4.423952   -7.812399     4    77
    82  H     -3.990048   -3.675658   -6.353397     6    78
    83  H     -3.747910   -3.501966   -8.053144     6    78
    84  N     -5.512334   -5.580617   -7.858389     1    79    85    88
    85  CA    -6.264434   -6.627261   -8.523929     2    84    86    89    90
    86  C     -7.400218   -6.294864   -9.583183     3    85    87    91
    87  O     -7.946436   -7.262839  -10.152466     5    86
    88  HN    -6.013627   -4.899763   -7.272848     4    84
    89  H     -5.490413   -7.288320   -9.168336     6    85
    90  H     -6.614689   -7.415321   -7.804449     6    85
    91  N     -7.666335   -5.008368   -9.881918   230    86    92    93
    92  C     -8.742205   -4.591208  -10.757227   232    91    94    95    96
    93  HN    -7.132265   -4.276149   -9.387283   231    91
    94  H     -9.325467   -3.857617  -10.334803   233    92
    95  H     -9.484344   -5.368702  -11.044685   233    92
    96  H     -8.208291   -4.263755  -11.680274   233    92
96 12_Glycine
     1  C     -3.755224    0.700872   -9.497729   224     2     4     5     6
     2  C     -4.249530   -0.027213   -8.307924   226     1     3     7
     3  O     -4.211604    0.564319   -7.214553   227     2
     4  H     -4.228857    1.682894   -9.554294   225     1
     5  H     -3.872019    0.213138  -10.480643   225     1
     6  H     -2.662080    0.939925   -9.525148   225     1
     7  N     -4.692123   -1.277300   -8.498130     1     2     8    11
     8  CA    -5.423277   -1.999003   -7.424657     2     7     9    12    13
     9  C     -4.584378   -2.696267   -6.333629     3     8    10    14
    10  O     -5.149272   -3.222657   -5.390042     5     9
    11  HN    -4.621936   -1.671392   -9.467942     4     7
    12  H     -6.195360   -1.275549   -7.036752     6     8
    13  H     -6.037797   -2.733471   -7.903103     6     8
    14  N     -3.257208   -2.392217   -6.323730     1     9    15    18
    15  CA    -2.376515   -2.720682   -5.305858     2    14    16    19    20
    16  C     -1.397318   -1.612766   -4.843988     3    15    17    21
    17  O     -0.442721   -1.940878   -4.023939     5    16
    18  HN    -2.730367   -2.267475   -7.217217     4    14
    19  H     -2.927135   -3.097308   -4.489796     6    15
    20  H     -1.634156   -3.539549   -5.557480     6    15
    21  N     -1.498552   -0.386439   -5.399288     1    16    22    25
    22  CA    -0.503343    0.661148   -5.243307     2    21    23    26    27
    23  C     -0.650749    1.376590   -3.919080     3    22    24    28
    24  O      0.356706    1.685445   -3.309163     5    23
    25  HN    -2.341055   -0.177746   -6.018057     4    21
    26  H      0.582957    0.239612   -5.474444     6    22
    27  H     -0.717467    1.404532   -6.041984     6    22
    28  N     -1.894854    1.777115   -3.582289     1    23    29    32
    29  CA    -2.316801    2.482924   -2.429703     2    28    30    33    34
    30  C     -2.324011    1.574640   -1.111596     3    29    31    35
    31  O     -1.937107    2.013455   -0.019716     5    30
    32  HN    -2.637707    1.741184   -4.298378     4    28
    33  H     -1.790143    3.434263   -2.177855     6    29
    34  H     -3.401435    2.785214   -2.552436     6    29
    35  N     -2.794782    0.298465   -1.329756     1    30    36    39
    36  CA    -2.839924   -0.751223   -0.356437     2    35    37    40    41
    37  C     -1.341109   -1.078895    0.038358     3    36    38    42
    38  O     -1.080514   -1.236978    1.214813     5    37
    39  HN    -3.090452   -0.056790   -2.243227     4    35
    40  H     -3.358906   -0.434588    0.580611     6    36
    41  H     -3.383777   -1.603155   -0.804465     6    36
    42  N     -0.388194   -1.096227   -0.933944     1    37    43    46
    43  CA     1.004994   -1.481622   -0.735652     2    42    44    47    48
    44  C      1.958604   -0.335555   -0.296332     3    43    45    49
    45  O      2.823818   -0.547977    0.570936     5    44
    46  HN    -0.675855   -1.100113   -1.902666     4    42
    47  H      1.067155   -2.255429    0.058700     6    43
    48  H      1.338705   -2.053613   -1.682208     6    43
    49  N      1.643389    0.901769   -0.724591     1    44    50    53
    50  CA     2.190850    2.116846   -0.147519     2    49    51    54    55
    51  C      1.920966    2.262457    1.345086     3    50    52    56
    52  O      2.923977    2.377527    2.045616     5    51
    53  HN     0.803413    1.069732   -1.385658     4    49
    54  H      3.303395    2.128916   -0.368643     6    50
    55  H      1.745376    3.003784   -0.616479     6    50
    56  N      0.609792    2.111482    1.782362     1    51    57    60
    57  CA     0.212733    2.328369    3.173310     2    56    58    61    62
    58  C      0.488372    1.183293    4.125607     3    57    59    63
    59  O      0.917122    1.379242    5.287560     5    58
    60  HN    -0.103285    1.955229    1.114025     4    56
    61  H      0.662113    3.289372    3.575897     6    57
    62  H     -0.878123    2.500431    3.142868     6    57
    63  N      0.602842   -0.052900    3.566025     1    58    64    67
    64  CA     1.023411   -1.254839    4.235561     2    63    65    68    69
    65  C      2.524992   -1.299778    4.467586     3    64    66    70
    66  O      2.934012   -1.748754    5.569043     5    65
    67  HN     0.068735   -0.147196    2.653535     4    63
    68  H      0.644749   -1.392268    5.295569     6    64
    69  H      0.680326   -2.122742    3.649418     6    64
    70  N      3.378766   -0.836411    3.517838     1    65    71    74
    71  CA     4.827846   -0.741396    3.654067     2    70    72    75    76
    72  C      5.318430    0.431035    4.509631     3    71    73    77
    73  O      6.427940    0.452944    5.113510     5    72
    74  HN     3.015659   -0.368848    2.706064     4    70
    75  H      5.172362   -1.589112    4.133846     6    71
    76  H      5.292886   -0.558607    2.672509     6    71
    77  N      4.562783    1.500685    4.652684     1    72    78    81
    78  CA     4.805375    2.570245    5.506932     2    77    79    82    83
    79  C      4.039901    2.772855    6.829906     3    78    80    84
    80  O      4.223242    3.741924    7.570467     5    79
    81  HN     3.794112    1.765505    4.020942     4    77
    82  H      5.881441    2.660771    5.810607     6    78
    83  H      4.635273    3.495146    4.931615     6    78
    84  N      3.207599    1.763267    7.127904     1    79    85    88
    85  CA     2.418023    1.664196    8.299192     2    84    86    89    90
    86  C      2.834222    0.523838    9.218476     3    85    87    91
    87  O      2.036408   -0.425857    9.278861     5    86
    88  HN     2.900640    1.049673    6.479298     4    84
    89  H      2.383050    2.576667    8.891922     6    85
    90  H      1.356503    1.489541    8.002926     6    85
    91  N      4.009556    0.615320    9.829933   230    86    92    93
    92  C      4.468447   -0.396346   10.744852   232    91    94    95    96
    93  HN     4.593651    1.431963    9.751744   231    91
    94  H      5.380830   -0.843970   10.302120   233    92
    95  H      3.733729   -1.237433   10.846259   233    92
    96  H      4.784517   -0.032622   11.751463   233    92
96 12_Glycine
     1  C     12.426189  -16.338275  -24.294947   224     2     4     5     6
     2  C     11.615877  -16.952956  -23.116267   226     1     3     7
     3  O     11.336760  -18.187866  -23.206373   227     2
     4  H     12.252836  -16.984337  -25.200406   225     1
     5  H     13.526713  -16.120627  -24.190752   225     1
     6  H     11.982496  -15.342226  -24.458567   225     1
     7  N     11.247508  -16.192967  -22.078558     1     2     8    11
     8  CA    10.530193  -16.601879  -20.922777     2     7     9    12    13
     9  C      9.363550  -15.670748  -20.722956     3     8    10    14
    10  O      9.399869  -14.571640  -21.334401     5     9
    11  HN    11.414206  -15.180119  -22.037023     4     7
    12  H     10.243361  -17.727432  -20.995127     6     8
    13  H     11.301271  -16.579713  -20.139408     6     8
    14  N      8.341338  -16.067382  -19.950319     1     9    15    18
    15  CA     7.214533  -15.180762  -19.596454     2    14    16    19    20
    16  C      7.396398  -14.648530  -18.178459     3    15    17    21
    17  O      8.228021  -15.238350  -17.433408     5    16
    18  HN     8.344484  -16.975701  -19.436724     4    14
    19  H      7.273261  -14.330462  -20.304348     6    15
    20  H      6.192950  -15.676201  -19.759168     6    15
    21  N      6.647885  -13.586111  -17.759213     1    16    22    25
    22  CA     6.644716  -13.075000  -16.410396     2    21    23    26    27
    23  C      6.014416  -11.655830  -16.357975     3    22    24    28
    24  O      5.106841  -11.421449  -15.572667     5    23
    25  HN     6.053210  -13.061709  -18.437532     4    21
    26  H      6.180786  -13.742193  -15.635962     6    22
    27  H      7.712194  -13.034624  -15.970082     6    22
    28  N      6.585139  -10.679331  -17.093706     1    23    29    32
    29  CA     6.135103   -9.284376  -17.045523     2    28    30    33    34
    30  C      6.450681   -8.664115  -15.637875     3    29    31    35
    31  O      7.074186   -9.310180  -14.746938     5    30
    32  HN     7.384304  -10.915898  -17.666492     4    28
    33  H      6.661310   -8.686885  -17.843446     6    29
    34  H      4.985452   -9.249169  -17.265971     6    29
    35  N      6.069126   -7.385824  -15.506252     1    30    36    39
    36  CA     6.512017   -6.456853  -14.459293     2    35    37    40    41
    37  C      5.641800   -6.475700  -13.181007     3    36    38    42
    38  O      4.744023   -7.294239  -12.899847     5    37
    39  HN     5.479259   -6.937740  -16.188209     4    35
    40  H      7.584368   -6.707018  -14.143052     6    36
    41  H      6.611973   -5.438957  -14.878705     6    36
    42  N      6.094167   -5.480949  -12.311892     1    37    43    46
    43  CA     5.736506   -5.072618  -10.963870     2    42    44    47    48
    44  C      6.879275   -4.375182  -10.227721     3    43    45    49
    45  O      8.068083   -4.599521  -10.364609     5    44
    46  HN     6.867694   -4.889385  -12.561434     4    42
    47  H      4.733877   -4.590099  -11.040090     6    43
    48  H      5.581871   -5.969028  -10.344310     6    43
    49  N      6.501158   -3.449602   -9.320460     1    44    50    53
    50  CA     7.541345   -2.830048   -8.346349     2    49    51    54    55
    51  C      6.930264   -1.598367   -7.781697     3    50    52    56
    52  O      6.288654   -0.787534   -8.510350     5    51
    53  HN     5.605925   -3.465119   -8.873459     4    49
    54  H      7.704215   -3.549070   -7.501332     6    50
    55  H      8.511967   -2.575281   -8.851399     6    50
    56  N      7.239272   -1.354156   -6.486280     1    51    57    60
    57  CA     6.831012   -0.197822   -5.728642     2    56    58    61    62
    58  C      6.534498   -0.519001   -4.281973     3    57    59    63
    59  O      5.997457   -1.590049   -3.931581     5    58
    60  HN     7.786902   -2.143490   -6.041920     4    56
    61  H      7.624352    0.539309   -5.782907     6    57
    62  H      5.883308    0.266055   -6.118605     6    57
    63  N      7.106686    0.330413   -3.387551     1    58    64    67
    64  CA     7.113910    0.293399   -1.921435     2    63    65    68    69
    65  C      7.387307    1.633012   -1.230466     3    64    66    70
    66  O      7.886024    1.596802   -0.077464     5    65
    67  HN     7.760806    1.004879   -3.749708     4    63
    68  H      6.118145   -0.072844   -1.667839     6    64
    69  H      7.997938   -0.422972   -1.595616     6    64
    70  N      7.349523    2.796315   -1.967838     1    65    71    74
    71  CA     7.702132    4.161669   -1.555092     2    70    72    75    76
    72  C      8.217765    5.269505   -2.519194     3    71    73    77
    73  O      8.852587    6.290894   -2.091842     5    72
    74  HN     6.843885    2.843973   -2.884648     4    70
    75  H      6.790882    4.550373   -1.038291     6    71
    76  H      8.477223    4.137640   -0.764696     6    71
    77  N      8.127226    5.036479   -3.883799     1    72    78    81
    78  CA     8.548761    6.142826   -4.832149     2    77    79    82    83
    79  C      8.878431    5.756166   -6.306347     3    78    80    84
    80  O      8.926308    6.596932   -7.230855     5    79
    81  HN     7.534399    4.290317   -4.307032     4    77
    82  H      7.599392    6.725852   -4.888632     6    78
    83  H      9.373646    6.852480   -4.418506     6    78
    84  N      9.268935    4.444732   -6.487478     1    79    85    88
    85  CA     9.712052    3.876669   -7.739599     2    84    86    89    90
    86  C      8.682231    3.101997   -8.465573     3    85    87    91
    87  O      7.441044    3.251990   -8.307712     5    86
    88  HN     9.154470    3.740357   -5.740951     4    84
    89  H     10.127383    4.703364   -8.373403     6    85
    90  H     10.623385    3.270782   -7.625272     6    85
    91  N      9.195313    2.278375   -9.369259   230    86    92    93
    92  C      8.413509    1.488883  -10.302868   232    91    94    95    96
    93  HN    10.189788    2.281983   -9.667587   231    91
    94  H      7.582129    1.003976   -9.777162   233    92
    95  H      8.928338    0.617202  -10.704571   233    92
    96  H      8.021412    2.139249  -11.126143   233    92
96 12_Glycine
     1  C     10.807372    4.754072    5.599462   224     2     4     5     6
     2  C     10.014976    3.430295    5.633115   226     1     3     7
     3  O     10.524304    2.294222    5.778814   227     2
     4  H     10.609437    5.322097    6.512455   225     1
     5  H     10.606895    5.311563    4.660837   225     1
     6  H     11.911181    4.455135    5.642224   225     1
     7  N      8.676447    3.526634    5.376030     1     2     8    11
     8  CA     7.758313    2.331914    5.315219     2     7     9    12    13
     9  C      7.775905    1.676132    3.920170     3     8    10    14
    10  O      8.581738    2.043328    3.055417     5     9
    11  HN     8.215614    4.443919    5.423218     4     7
    12  H      7.930754    1.636674    6.161067     6     8
    13  H      6.695903    2.751723    5.539445     6     8
    14  N      6.863013    0.719570    3.611595     1     9    15    18
    15  CA     6.794442    0.191718    2.182111     2    14    16    19    20
    16  C      5.688232    0.909075    1.443391     3    15    17    21
    17  O      4.795342    1.594156    2.013064     5    16
    18  HN     6.136100    0.359144    4.248681     4    14
    19  H      7.751896    0.349814    1.553929     6    15
    20  H      6.471512   -0.836842    2.099316     6    15
    21  N      5.762170    0.693231    0.162696     1    16    22    25
    22  CA     4.803524    1.156692   -0.878603     2    21    23    26    27
    23  C      3.287542    0.940233   -0.705311     3    22    24    28
    24  O      2.845434    0.083954   -0.006819     5    23
    25  HN     6.557304    0.149594   -0.214705     4    21
    26  H      4.851679    2.304237   -0.847958     6    22
    27  H      5.219919    0.883494   -1.908893     6    22
    28  N      2.541072    1.737376   -1.533467     1    23    29    32
    29  CA     1.078540    1.758519   -1.655696     2    28    30    33    34
    30  C      0.523436    1.016586   -2.849645     3    29    31    35
    31  O      1.223832    0.668503   -3.778274     5    30
    32  HN     2.991757    2.413450   -2.224448     4    28
    33  H      0.661150    1.509497   -0.663971     6    29
    34  H      0.734655    2.871650   -1.697899     6    29
    35  N     -0.762237    0.670784   -2.870051     1    30    36    39
    36  CA    -1.520375    0.214037   -4.014678     2    35    37    40    41
    37  C     -2.885889    0.854803   -4.152757     3    36    38    42
    38  O     -2.986936    2.101462   -4.011120     5    37
    39  HN    -1.378185    0.836358   -2.084744     4    35
    40  H     -1.022666    0.399800   -4.997575     6    36
    41  H     -1.528531   -0.905951   -3.964709     6    36
    42  N     -3.940305    0.009678   -4.566470     1    37    43    46
    43  CA    -5.268209    0.462660   -5.014121     2    42    44    47    48
    44  C     -5.179189    1.584988   -6.033770     3    43    45    49
    45  O     -4.309237    1.675559   -6.902968     5    44
    46  HN    -3.919156   -1.023857   -4.451978     4    42
    47  H     -6.020659   -0.254508   -5.444579     6    43
    48  H     -5.734906    0.917867   -4.081000     6    43
    49  N     -6.144989    2.539583   -5.904282     1    44    50    53
    50  CA    -5.914281    3.838464   -6.497610     2    49    51    54    55
    51  C     -4.685882    4.605060   -5.942724     3    50    52    56
    52  O     -4.450615    4.481898   -4.697917     5    51
    53  HN    -7.089968    2.392495   -5.456430     4    49
    54  H     -5.925114    3.695152   -7.623535     6    50
    55  H     -6.779669    4.433787   -6.213577     6    50
    56  N     -3.968932    5.327418   -6.814495     1    51    57    60
    57  CA    -2.773276    6.023493   -6.454603     2    56    58    61    62
    58  C     -2.867340    7.591204   -6.622292     3    57    59    63
    59  O     -3.811267    8.182995   -7.171155     5    58
    60  HN    -4.189873    5.244564   -7.831216     4    56
    61  H     -2.515643    5.757456   -5.432662     6    57
    62  H     -1.930194    5.686965   -7.093880     6    57
    63  N     -1.786498    8.224402   -6.050309     1    58    64    67
    64  CA    -1.645953    9.689370   -5.983461     2    63    65    68    69
    65  C     -0.648433   10.326338   -5.007104     3    64    66    70
    66  O     -0.470800   11.549721   -4.877013     5    65
    67  HN    -1.000622    7.595685   -5.588763     4    63
    68  H     -1.397319    9.986148   -6.989796     6    64
    69  H     -2.669956   10.101095   -5.765830     6    64
    70  N     -0.049856    9.447975   -4.120511     1    65    71    74
    71  CA     0.956216    9.815724   -3.225976     2    70    72    75    76
    72  C      2.304542    8.912499   -3.205328     3    71    73    77
    73  O      3.193874    9.098610   -2.289270     5    72
    74  HN    -0.453719    8.517725   -3.960227     4    70
    75  H      1.230599   10.913853   -3.387531     6    71
    76  H      0.448127    9.834154   -2.239559     6    71
    77  N      2.379114    7.955543   -4.123362     1    72    78    81
    78  CA     3.495820    7.149107   -4.559687     2    77    79    82    83
    79  C      4.681815    7.918105   -5.062515     3    78    80    84
    80  O      4.593640    9.041484   -5.544189     5    79
    81  HN     1.636612    7.980734   -4.904674     4    77
    82  H      3.809813    6.458203   -3.758911     6    78
    83  H      3.144206    6.430505   -5.320146     6    78
    84  N      5.898818    7.349434   -4.968473     1    79    85    88
    85  CA     7.157465    7.999780   -5.393212     2    84    86    89    90
    86  C      7.183680    8.171805   -6.982478     3    85    87    91
    87  O      6.454373    7.506858   -7.742113     5    86
    88  HN     6.055656    6.417509   -4.483571     4    84
    89  H      7.280395    8.946426   -4.819553     6    85
    90  H      8.028158    7.407212   -5.046069     6    85
    91  N      8.186175    8.982085   -7.388037   230    86    92    93
    92  C      8.624115    9.052647   -8.768860   232    91    94    95    96
    93  HN     8.832423    9.439956   -6.721860   231    91
    94  H      9.314650    8.209247   -8.884564   233    92
    95  H      9.208817    9.901445   -9.042593   233    92
    96  H      7.769585    9.065796   -9.492259   233    92
96 12_Glycine
     1  C      0.443696   -2.653601  -14.216287   224     2     4     5     6
     2  C     -0.911190   -2.617610  -14.919273   226     1     3     7
     3  O     -1.034593   -2.748793  -16.187484   227     2
     4  H      1.324205   -2.852562  -14.955014   225     1
     5  H      0.525986   -3.488950  -13.550202   225     1
     6  H      0.661866   -1.677425  -13.701313   225     1
     7  N     -1.932199   -2.324982  -14.040097     1     2     8    11
     8  CA    -3.345687   -2.282302  -14.412581     2     7     9    12    13
     9  C     -4.131493   -1.048159  -13.979675     3     8    10    14
    10  O     -5.373141   -0.908754  -14.284578     5     9
    11  HN    -1.696888   -2.204740  -13.035618     4     7
    12  H     -3.584799   -2.477255  -15.487165     6     8
    13  H     -3.904004   -3.106568  -13.838940     6     8
    14  N     -3.511016   -0.051164  -13.340350     1     9    15    18
    15  CA    -4.080586    1.276993  -13.053369     2    14    16    19    20
    16  C     -3.587130    2.401994  -13.970328     3    15    17    21
    17  O     -3.055650    2.190525  -15.034503     5    16
    18  HN    -2.479876    0.063075  -13.278606     4    14
    19  H     -5.224658    1.257803  -13.100621     6    15
    20  H     -3.961786    1.471995  -11.936020     6    15
    21  N     -3.816141    3.700612  -13.632899     1    16    22    25
    22  CA    -3.628614    4.852418  -14.461497     2    21    23    26    27
    23  C     -4.520273    4.876655  -15.677273     3    22    24    28
    24  O     -5.691774    4.599160  -15.564881     5    23
    25  HN    -4.331342    3.871145  -12.758361     4    21
    26  H     -3.850055    5.848651  -13.883480     6    22
    27  H     -2.532957    4.940729  -14.775901     6    22
    28  N     -3.983531    5.361759  -16.783798     1    23    29    32
    29  CA    -4.574696    5.650933  -18.088379     2    28    30    33    34
    30  C     -3.967820    4.781499  -19.178069     3    29    31    35
    31  O     -3.348950    3.738531  -18.921949     5    30
    32  HN    -2.933448    5.518355  -16.932008     4    28
    33  H     -5.636038    5.457696  -18.132969     6    29
    34  H     -4.418223    6.725239  -18.358893     6    29
    35  N     -4.155984    5.254564  -20.426128     1    30    36    39
    36  CA    -3.595108    4.722663  -21.660020     2    35    37    40    41
    37  C     -2.113109    5.111754  -21.602995     3    36    38    42
    38  O     -1.677648    6.252287  -21.209710     5    37
    39  HN    -4.760953    6.098483  -20.574736     4    35
    40  H     -3.696012    3.603489  -21.696833     6    36
    41  H     -4.082243    5.159994  -22.574832     6    36
    42  N     -1.251972    4.084566  -21.901744     1    37    43    46
    43  CA     0.146504    4.158226  -21.647394     2    42    44    47    48
    44  C      0.730238    5.112979  -22.660072     3    43    45    49
    45  O      0.560119    4.945160  -23.892358     5    44
    46  HN    -1.607017    3.245929  -22.311185     4    42
    47  H      0.336697    4.472488  -20.568755     6    43
    48  H      0.398942    3.079983  -21.825273     6    43
    49  N      1.543476    6.086312  -22.115579     1    44    50    53
    50  CA     2.244163    7.142706  -22.787648     2    49    51    54    55
    51  C      1.657890    8.522233  -22.483804     3    50    52    56
    52  O      2.331254    9.492730  -22.824035     5    51
    53  HN     1.704408    6.180977  -21.070750     4    49
    54  H      3.298908    7.235981  -22.409489     6    50
    55  H      2.238086    7.055115  -23.830357     6    50
    56  N      0.490456    8.573771  -21.820829     1    51    57    60
    57  CA    -0.074365    9.812399  -21.333269     2    56    58    61    62
    58  C      0.850111   10.480530  -20.286056     3    57    59    63
    59  O      1.461242    9.707281  -19.520673     5    58
    60  HN    -0.016662    7.677829  -21.466198     4    56
    61  H     -0.108603   10.547194  -22.189372     6    57
    62  H     -1.117584    9.756873  -21.061451     6    57
    63  N      0.815062   11.833657  -20.197039     1    58    64    67
    64  CA     1.639767   12.566778  -19.313207     2    63    65    68    69
    65  C      1.404291   14.066347  -19.572136     3    64    66    70
    66  O      1.572465   14.551303  -20.707161     5    65
    67  HN     0.228067   12.413456  -20.830106     4    63
    68  H      1.398971   12.159309  -18.308861     6    64
    69  H      2.740763   12.317404  -19.492779     6    64
    70  N      0.878626   14.692110  -18.558998     1    65    71    74
    71  CA     0.287749   16.002408  -18.682237     2    70    72    75    76
    72  C     -0.946941   16.053939  -17.782668     3    71    73    77
    73  O     -1.758057   15.144914  -17.724302     5    72
    74  HN     0.953457   14.333824  -17.626263     4    70
    75  H      1.057493   16.695755  -18.249194     6    71
    76  H      0.141721   16.378761  -19.719066     6    71
    77  N     -1.169362   17.299626  -17.206759     1    72    78    81
    78  CA    -2.145097   17.529363  -16.206124     2    77    79    82    83
    79  C     -1.758207   16.791114  -14.943747     3    78    80    84
    80  O     -0.527508   16.463578  -14.761806     5    79
    81  HN    -0.507303   18.080305  -17.246144     4    77
    82  H     -2.289713   18.584305  -16.003729     6    78
    83  H     -3.147031   17.151559  -16.541472     6    78
    84  N     -2.763391   16.556048  -14.090055     1    79    85    88
    85  CA    -2.572666   15.684496  -12.941791     2    84    86    89    90
    86  C     -2.092172   14.300200  -13.329774     3    85    87    91
    87  O     -2.318849   13.876072  -14.506613     5    86
    88  HN    -3.656110   16.955859  -14.351193     4    84
    89  H     -1.805667   16.124491  -12.181173     6    85
    90  H     -3.603289   15.708539  -12.424366     6    85
    91  N     -1.496772   13.521082  -12.380154   230    86    92    93
    92  C     -1.195607   12.138106  -12.510541   232    91    94    95    96
    93  HN    -1.385453   13.877731  -11.368754   231    91
    94  H     -1.073387   11.975306  -13.631321   233    92
    95  H     -2.128366   11.582584  -12.195169   233    92
    96  H     -0.266853   11.831318  -11.977788   233    92
96 12_Glycine
     1  C      0.162915    1.913708   -2.548173   224     2     4     5     6
     2  C      1.512313    1.538897   -1.975574   226     1     3     7
     3  O      2.378518    2.426208   -1.996535   227     2
     4  H     -0.774169    1.448971   -2.056524   225     1
     5  H      0.160548    1.583981   -3.625670   225     1
     6  H      0.042340    3.030401   -2.559902   225     1
     7  N      1.731534    0.253251   -1.608018     1     2     8    11
     8  CA     2.983166   -0.255071   -1.086452     2     7     9    12    13
     9  C      3.649841   -1.161049   -2.095992     3     8    10    14
    10  O      4.728737   -1.649443   -1.731671     5     9
    11  HN     0.904008   -0.427170   -1.545346     4     7
    12  H      3.612954    0.641357   -0.744698     6     8
    13  H      2.935325   -0.780779   -0.047486     6     8
    14  N      2.988646   -1.459526   -3.257157     1     9    15    18
    15  CA     3.585537   -2.395408   -4.216221     2    14    16    19    20
    16  C      4.682705   -1.991209   -5.288780     3    15    17    21
    17  O      5.337204   -2.814089   -5.888754     5    16
    18  HN     2.138588   -0.980062   -3.578147     4    14
    19  H      4.079363   -3.191343   -3.605499     6    15
    20  H      2.774584   -3.045410   -4.717717     6    15
    21  N      4.799591   -0.627057   -5.450827     1    16    22    25
    22  CA     5.795944   -0.028238   -6.284074     2    21    23    26    27
    23  C      6.943621    0.646257   -5.599387     3    22    24    28
    24  O      7.850566    1.215549   -6.200013     5    23
    25  HN     4.043466    0.005223   -5.206933     4    21
    26  H      6.035994   -0.746210   -7.116711     6    22
    27  H      5.287213    0.791340   -6.865534     6    22
    28  N      7.001349    0.591258   -4.262369     1    23    29    32
    29  CA     7.983387    1.386353   -3.472239     2    28    30    33    34
    30  C      7.763452    1.245736   -1.949535     3    29    31    35
    31  O      8.031517    2.230379   -1.258080     5    30
    32  HN     6.436669   -0.091793   -3.731591     4    28
    33  H      8.975452    1.032745   -3.764560     6    29
    34  H      7.886661    2.449057   -3.705719     6    29
    35  N      7.434002    0.016626   -1.460093     1    30    36    39
    36  CA     7.206650   -0.347754   -0.121260     2    35    37    40    41
    37  C      8.063799   -1.355527    0.643355     3    36    38    42
    38  O      7.819966   -1.700325    1.782988     5    37
    39  HN     7.363155   -0.786370   -2.057540     4    35
    40  H      7.153095    0.468884    0.639900     6    36
    41  H      6.140206   -0.721082   -0.112773     6    36
    42  N      9.124882   -1.848982   -0.059724     1    37    43    46
    43  CA    10.134856   -2.791373    0.468082     2    42    44    47    48
    44  C     11.451532   -2.175343    0.963181     3    43    45    49
    45  O     12.256995   -2.801424    1.612818     5    44
    46  HN     9.243434   -1.573212   -1.014589     4    42
    47  H      9.642658   -3.309772    1.333654     6    43
    48  H     10.278001   -3.600504   -0.256028     6    43
    49  N     11.804495   -1.043963    0.417986     1    44    50    53
    50  CA    12.890644   -0.167165    0.825214     2    49    51    54    55
    51  C     12.586703    1.366661    0.786394     3    50    52    56
    52  O     13.318521    2.123083    0.084540     5    51
    53  HN    11.200139   -0.626297   -0.305425     4    49
    54  H     13.149874   -0.405106    1.913706     6    50
    55  H     13.701083   -0.524186    0.201729     6    50
    56  N     11.482898    1.701072    1.524105     1    51    57    60
    57  CA    10.938675    3.044259    1.470037     2    56    58    61    62
    58  C      9.569349    3.390443    2.113850     3    57    59    63
    59  O      9.155778    4.540882    2.073186     5    58
    60  HN    11.024050    0.973751    2.154139     4    56
    61  H     11.717308    3.708907    1.975782     6    57
    62  H     10.931330    3.364455    0.447338     6    57
    63  N      8.852480    2.309869    2.616351     1    58    64    67
    64  CA     7.459448    2.359639    2.999493     2    63    65    68    69
    65  C      7.137771    1.846381    4.358633     3    64    66    70
    66  O      5.927371    1.602135    4.565649     5    65
    67  HN     9.377736    1.495416    2.840976     4    63
    68  H      7.067551    3.405813    2.946008     6    64
    69  H      6.868421    1.734962    2.349738     6    64
    70  N      8.146229    1.660485    5.298392     1    65    71    74
    71  CA     7.853276    1.104252    6.641066     2    70    72    75    76
    72  C      8.050077    2.154425    7.769533     3    71    73    77
    73  O      7.865655    1.734012    8.924693     5    72
    74  HN     9.165447    1.909981    5.071208     4    70
    75  H      6.750887    0.812962    6.761464     6    71
    76  H      8.433584    0.149500    6.738258     6    71
    77  N      8.363947    3.433976    7.431661     1    72    78    81
    78  CA     8.550514    4.473325    8.426151     2    77    79    82    83
    79  C      7.310319    5.387592    8.548950     3    78    80    84
    80  O      7.015201    6.004997    9.575552     5    79
    81  HN     8.467247    3.658685    6.447152     4    77
    82  H      8.575765    4.055942    9.501862     6    78
    83  H      9.511729    5.077514    8.246082     6    78
    84  N      6.576277    5.533049    7.427461     1    79    85    88
    85  CA     5.440275    6.361752    7.216511     2    84    86    89    90
    86  C      4.341345    5.604464    6.466480     3    85    87    91
    87  O      3.713205    6.138628    5.546679     5    86
    88  HN     6.903002    5.178963    6.489807     4    84
    89  H      4.971891    6.660461    8.176853     6    85
    90  H      5.722688    7.275353    6.660338     6    85
    91  N      4.251354    4.275271    6.802426   230    86    92    93
    92  C      3.330759    3.447282    6.079465   232    91    94    95    96
    93  HN     4.893595    3.791544    7.495354   231    91
    94  H      3.682286    3.370637    5.006646   233    92
    95  H      2.294296    3.792854    6.143130   233    92
    96  H      3.358548    2.425331    6.488816   233    92
96 12_Glycine
     1  C    -13.498168   -2.370124  -12.190165   224     2     4     5     6
     2  C    -13.326622   -3.760275  -12.903307   226     1     3     7
     3  O    -14.014881   -3.989329  -13.940548   227     2
     4  H    -12.573276   -1.729472  -12.435164   225     1
     5  H    -13.445478   -2.581366  -11.102675   225     1
     6  H    -14.398654   -1.788724  -12.286974   225     1
     7  N    -12.378171   -4.590203  -12.511789     1     2     8    11
     8  CA   -11.915793   -5.836108  -13.104746     2     7     9    12    13
     9  C    -10.790624   -6.515561  -12.328806     3     8    10    14
    10  O    -10.758069   -7.735837  -12.266611     5     9
    11  HN   -11.956348   -4.530600  -11.583832     4     7
    12  H    -12.793386   -6.552841  -13.112593     6     8
    13  H    -11.692810   -5.746975  -14.145611     6     8
    14  N     -9.832139   -5.704107  -11.729920     1     9    15    18
    15  CA    -8.736774   -6.174643  -10.891173     2    14    16    19    20
    16  C     -8.246713   -5.030269   -9.880992     3    15    17    21
    17  O     -9.048142   -4.509695   -9.118439     5    16
    18  HN    -9.802533   -4.687037  -11.951228     4    14
    19  H     -9.067523   -7.056062  -10.244414     6    15
    20  H     -7.976413   -6.554500  -11.513901     6    15
    21  N     -6.917470   -4.687984   -9.865072     1    16    22    25
    22  CA    -6.258466   -3.636067   -9.071912     2    21    23    26    27
    23  C     -5.896194   -2.397396   -9.980061     3    22    24    28
    24  O     -6.292590   -2.334226  -11.177098     5    23
    25  HN    -6.291571   -5.078513  -10.628535     4    21
    26  H     -6.888192   -3.420228   -8.177695     6    22
    27  H     -5.322463   -3.990495   -8.542600     6    22
    28  N     -5.226483   -1.408198   -9.427328     1    23    29    32
    29  CA    -4.968066   -0.103365   -9.952539     2    28    30    33    34
    30  C     -4.268154    0.789073   -8.952375     3    29    31    35
    31  O     -3.237045    1.410784   -9.244577     5    30
    32  HN    -4.727464   -1.657303   -8.601246     4    28
    33  H     -4.236279   -0.176910  -10.793882     6    29
    34  H     -5.920887    0.293753  -10.340036     6    29
    35  N     -4.957910    0.908990   -7.784535     1    30    36    39
    36  CA    -4.573964    1.715492   -6.721944     2    35    37    40    41
    37  C     -4.514299    0.881519   -5.414378     3    36    38    42
    38  O     -4.160340   -0.269764   -5.398677     5    37
    39  HN    -5.904820    0.460828   -7.703612     4    35
    40  H     -3.609468    2.243363   -6.884953     6    36
    41  H     -5.172082    2.613050   -6.664809     6    36
    42  N     -4.958587    1.483257   -4.288869     1    37    43    46
    43  CA    -4.762821    0.933394   -2.959218     2    42    44    47    48
    44  C     -4.240746    1.891212   -1.860030     3    43    45    49
    45  O     -4.204909    3.114701   -2.088449     5    44
    46  HN    -5.104254    2.488198   -4.283360     4    42
    47  H     -5.796047    0.712909   -2.586277     6    43
    48  H     -4.172830    0.010859   -2.963426     6    43
    49  N     -3.932163    1.377585   -0.619539     1    44    50    53
    50  CA    -3.284309    2.090756    0.428466     2    49    51    54    55
    51  C     -3.909508    1.903527    1.828102     3    50    52    56
    52  O     -5.148571    1.939848    1.997513     5    51
    53  HN    -4.147165    0.417467   -0.452699     4    49
    54  H     -2.223041    1.682387    0.402102     6    50
    55  H     -3.240766    3.124158    0.229095     6    50
    56  N     -2.929245    1.794215    2.774949     1    51    57    60
    57  CA    -3.171602    1.686702    4.181333     2    56    58    61    62
    58  C     -2.196330    0.698933    4.923000     3    57    59    63
    59  O     -2.258018    0.583067    6.155198     5    58
    60  HN    -1.949799    1.796438    2.501507     4    56
    61  H     -2.976424    2.749374    4.574474     6    57
    62  H     -4.258332    1.444731    4.381384     6    57
    63  N     -1.401018   -0.052790    4.160610     1    58    64    67
    64  CA    -0.495882   -1.077919    4.681951     2    63    65    68    69
    65  C      0.864478   -1.061862    4.085575     3    64    66    70
    66  O      1.728458   -1.898971    4.374338     5    65
    67  HN    -1.572397   -0.127674    3.158744     4    63
    68  H     -0.401266   -0.994396    5.803612     6    64
    69  H     -0.883609   -2.082894    4.399192     6    64
    70  N      1.272281   -0.105091    3.212342     1    65    71    74
    71  CA     2.551576   -0.113346    2.553917     2    70    72    75    76
    72  C      2.820396    1.051924    1.619267     3    71    73    77
    73  O      2.038192    1.955860    1.448022     5    72
    74  HN     0.617374    0.653106    2.851961     4    70
    75  H      3.428295   -0.233285    3.295271     6    71
    76  H      2.687232   -0.979183    1.884750     6    71
    77  N      3.919985    0.945082    0.856090     1    72    78    81
    78  CA     4.238837    1.878174   -0.186997     2    77    79    82    83
    79  C      5.698183    2.069177   -0.590206     3    78    80    84
    80  O      5.968666    2.933127   -1.433034     5    79
    81  HN     4.298495    0.036035    0.631704     4    77
    82  H      3.667739    1.737437   -1.086898     6    78
    83  H      4.038173    2.912197    0.120244     6    78
    84  N      6.663576    1.278160   -0.000283     1    79    85    88
    85  CA     8.086954    1.368706   -0.416505     2    84    86    89    90
    86  C      8.975904    0.251553    0.090063     3    85    87    91
    87  O      8.877421   -0.041887    1.288237     5    86
    88  HN     6.461261    0.422118    0.579603     4    84
    89  H      8.145893    1.403520   -1.536211     6    85
    90  H      8.560628    2.248913   -0.022920     6    85
    91  N      9.887763   -0.305924   -0.789132   230    86    92    93
    92  C     10.860544   -1.403405   -0.559845   232    91    94    95    96
    93  HN     9.792878   -0.088029   -1.790147   231    91
    94  H     10.633164   -2.200089   -1.358844   233    92
    95  H     10.753939   -1.923771    0.443278   233    92
    96  H     11.972331   -0.982479   -0.626431   233    92
96 12_Glycine
     1  C    -13.587432   -1.829491  -12.038772   224     2     4     5     6
     2  C    -12.928710   -3.123104  -11.585740   226     1     3     7
     3  O    -13.607182   -4.184103  -11.568922   227     2
     4  H    -14.599281   -1.775792  -11.416311   225     1
     5  H    -13.854226   -1.910774  -13.100556   225     1
     6  H    -13.091539   -0.863045  -11.897978   225     1
     7  N    -11.612889   -3.119615  -11.424975     1     2     8    11
     8  CA   -10.912961   -4.297642  -11.006023     2     7     9    12    13
     9  C     -9.407185   -4.463872  -11.427495     3     8    10    14
    10  O     -8.752745   -5.425224  -10.896783     5     9
    11  HN   -10.979087   -2.296543  -11.539971     4     7
    12  H    -10.755397   -4.233287   -9.887561     6     8
    13  H    -11.436011   -5.320320  -11.331523     6     8
    14  N     -8.794391   -3.598387  -12.268417     1     9    15    18
    15  CA    -7.344311   -3.550344  -12.738758     2    14    16    19    20
    16  C     -6.491080   -2.780000  -11.602092     3    15    17    21
    17  O     -6.896086   -2.849509  -10.466230     5    16
    18  HN    -9.427109   -2.856235  -12.616796     4    14
    19  H     -6.907711   -4.662509  -12.769011     6    15
    20  H     -7.187032   -3.092008  -13.801902     6    15
    21  N     -5.393418   -2.110391  -12.060784     1    16    22    25
    22  CA    -4.528232   -1.448902  -11.099478     2    21    23    26    27
    23  C     -4.467215    0.040944  -11.272188     3    22    24    28
    24  O     -4.972448    0.516940  -12.291289     5    23
    25  HN    -5.267000   -2.148035  -13.083798     4    21
    26  H     -4.902625   -1.634846   -9.987005     6    22
    27  H     -3.538474   -1.998957  -11.183024     6    22
    28  N     -3.686458    0.799202  -10.446286     1    23    29    32
    29  CA    -3.446090    2.213131  -10.642513     2    28    30    33    34
    30  C     -3.208381    3.104220   -9.426551     3    29    31    35
    31  O     -2.251246    3.911228   -9.334996     5    30
    32  HN    -3.191932    0.246834   -9.697422     4    28
    33  H     -2.590247    2.230145  -11.354104     6    29
    34  H     -4.445829    2.549093  -11.237534     6    29
    35  N     -3.987440    2.861523   -8.370940     1    30    36    39
    36  CA    -3.929192    3.460687   -7.045448     2    35    37    40    41
    37  C     -4.482840    2.566828   -5.929446     3    36    38    42
    38  O     -4.641915    1.324310   -6.108487     5    37
    39  HN    -4.749821    2.195681   -8.515094     4    35
    40  H     -2.887019    3.680511   -6.925491     6    36
    41  H     -4.634784    4.360253   -6.983818     6    36
    42  N     -4.805723    3.177413   -4.779205     1    37    43    46
    43  CA    -5.219938    2.562566   -3.591444     2    42    44    47    48
    44  C     -4.074316    1.763041   -2.928009     3    43    45    49
    45  O     -3.178346    1.243158   -3.554923     5    44
    46  HN    -4.788987    4.220992   -4.633602     4    42
    47  H     -5.490293    3.399535   -2.877316     6    43
    48  H     -6.172641    1.943149   -3.703254     6    43
    49  N     -4.178219    1.540626   -1.560295     1    44    50    53
    50  CA    -3.319086    0.823752   -0.602768     2    49    51    54    55
    51  C     -3.832168    1.055465    0.793894     3    50    52    56
    52  O     -4.949656    0.591832    1.098278     5    51
    53  HN    -5.049397    1.902801   -1.210021     4    49
    54  H     -3.379061   -0.256467   -0.786736     6    50
    55  H     -2.304527    1.147075   -0.880701     6    50
    56  N     -2.996176    1.762334    1.599345     1    51    57    60
    57  CA    -3.202656    2.129522    3.012302     2    56    58    61    62
    58  C     -2.052569    2.023879    4.073866     3    57    59    63
    59  O     -2.125033    2.693224    5.095185     5    58
    60  HN    -2.197089    2.284391    1.139864     4    56
    61  H     -3.411488    3.245835    3.012542     6    57
    62  H     -4.120350    1.611621    3.490585     6    57
    63  N     -1.018884    1.257968    3.717886     1    58    64    67
    64  CA     0.113891    1.168895    4.583189     2    63    65    68    69
    65  C      1.456439    0.630631    3.998989     3    64    66    70
    66  O      2.370867    0.354059    4.780316     5    65
    67  HN    -1.029899    0.717787    2.858187     4    63
    68  H      0.411240    2.207518    4.961731     6    64
    69  H     -0.130608    0.554094    5.443057     6    64
    70  N      1.624011    0.375975    2.629903     1    65    71    74
    71  CA     2.873669   -0.100435    2.049660     2    70    72    75    76
    72  C      3.984810    0.921515    1.948552     3    71    73    77
    73  O      3.651233    2.129137    1.819117     5    72
    74  HN     0.770141    0.496997    2.044150     4    70
    75  H      3.160097   -0.981201    2.703832     6    71
    76  H      2.776473   -0.547708    1.050447     6    71
    77  N      5.293370    0.444921    1.828921     1    72    78    81
    78  CA     6.516466    1.229348    1.806579     2    77    79    82    83
    79  C      7.104646    1.263365    0.407892     3    78    80    84
    80  O      6.636596    0.474224   -0.484722     5    79
    81  HN     5.507072   -0.581447    1.814607     4    77
    82  H      6.397917    2.317174    2.098560     6    78
    83  H      7.325683    0.756266    2.531896     6    78
    84  N      8.154919    2.148353    0.258434     1    79    85    88
    85  CA     8.863575    2.361146   -0.994987     2    84    86    89    90
    86  C     10.344224    1.990197   -0.781073     3    85    87    91
    87  O     11.012461    2.602991    0.044191     5    86
    88  HN     8.293407    2.857444    0.992704     4    84
    89  H      8.301789    1.717194   -1.829990     6    85
    90  H      8.868854    3.470396   -1.274061     6    85
    91  N     10.835226    0.955476   -1.503590   230    86    92    93
    92  C     12.162020    0.392649   -1.380011   232    91    94    95    96
    93  HN    10.290271    0.517896   -2.244684   231    91
    94  H     12.667628    0.613557   -0.352428   233    92
    95  H     12.812943    0.726745   -2.135025   233    92
    96  H     12.149256   -0.759509   -1.425321   233    92
96 12_Glycine
     1  C     -4.484637   -8.434231   -2.324078   224     2     4     5     6
     2  C     -3.532243   -7.216364   -2.440153   226     1     3     7
     3  O     -3.731761   -6.068951   -1.934730   227     2
     4  H     -4.319977   -9.049177   -3.294038   225     1
     5  H     -5.588776   -8.168007   -2.540877   225     1
     6  H     -4.360360   -9.174352   -1.497937   225     1
     7  N     -2.313724   -7.479493   -2.879945     1     2     8    11
     8  CA    -1.262051   -6.478792   -2.923836     2     7     9    12    13
     9  C      0.109497   -6.948144   -2.406502     3     8    10    14
    10  O      0.128942   -7.716442   -1.432871     5     9
    11  HN    -2.005724   -8.435219   -2.995226     4     7
    12  H     -1.268027   -6.022427   -3.914270     6     8
    13  H     -1.479939   -5.596951   -2.222604     6     8
    14  N      1.212259   -6.562996   -3.110167     1     9    15    18
    15  CA     2.574002   -7.065015   -2.777317     2    14    16    19    20
    16  C      3.742778   -6.162679   -3.208939     3    15    17    21
    17  O      4.801391   -6.730413   -3.472004     5    16
    18  HN     1.164558   -6.106196   -4.044173     4    14
    19  H      2.666725   -7.210079   -1.640388     6    15
    20  H      2.796499   -8.079560   -3.319839     6    15
    21  N      3.560832   -4.821988   -3.394692     1    16    22    25
    22  CA     4.612607   -3.924487   -3.771429     2    21    23    26    27
    23  C      4.186913   -2.460983   -4.017264     3    22    24    28
    24  O      4.986317   -1.504847   -3.958105     5    23
    25  HN     2.617784   -4.398146   -3.146722     4    21
    26  H      5.327953   -3.954181   -2.929761     6    22
    27  H      5.153211   -4.289283   -4.712317     6    22
    28  N      2.886855   -2.256240   -4.216951     1    23    29    32
    29  CA     2.440813   -0.903101   -4.543929     2    28    30    33    34
    30  C      1.053565   -0.386945   -3.936018     3    29    31    35
    31  O      0.571102    0.736322   -4.377445     5    30
    32  HN     2.269379   -3.039266   -4.506184     4    28
    33  H      3.127574   -0.153471   -4.095766     6    29
    34  H      2.388912   -0.758568   -5.641839     6    29
    35  N      0.465979   -1.138804   -2.951609     1    30    36    39
    36  CA    -0.709943   -0.807113   -2.179858     2    35    37    40    41
    37  C     -0.780986   -1.038821   -0.645116     3    36    38    42
    38  O     -1.828135   -1.443905   -0.105110     5    37
    39  HN     1.075675   -1.828639   -2.595688     4    35
    40  H     -1.064963    0.271627   -2.328046     6    36
    41  H     -1.512621   -1.524437   -2.384174     6    36
    42  N      0.410954   -0.833921    0.020659     1    37    43    46
    43  CA     0.708770   -1.247707    1.364751     2    42    44    47    48
    44  C      0.951493   -0.190438    2.406022     3    43    45    49
    45  O      1.335673   -0.534272    3.515562     5    44
    46  HN     1.233411   -0.599614   -0.487757     4    42
    47  H     -0.126243   -1.839038    1.791489     6    43
    48  H      1.574904   -1.870636    1.228266     6    43
    49  N      0.829011    1.132516    2.031219     1    44    50    53
    50  CA     1.033791    2.338630    2.890044     2    49    51    54    55
    51  C     -0.038346    2.405767    3.966007     3    50    52    56
    52  O      0.299756    2.636027    5.154316     5    51
    53  HN     0.533789    1.502703    1.088843     4    49
    54  H      2.111722    2.391341    3.322184     6    50
    55  H      0.972516    3.263920    2.209481     6    50
    56  N     -1.315135    2.073083    3.596219     1    51    57    60
    57  CA    -2.333217    1.749601    4.579618     2    56    58    61    62
    58  C     -3.094940    0.471939    4.162552     3    57    59    63
    59  O     -3.811319   -0.068767    5.085299     5    58
    60  HN    -1.536970    2.102933    2.605446     4    56
    61  H     -1.862962    1.540928    5.559902     6    57
    62  H     -3.078380    2.571121    4.727571     6    57
    63  N     -3.220952   -0.025551    2.916999     1    58    64    67
    64  CA    -3.803712   -1.224292    2.391073     2    63    65    68    69
    65  C     -2.982962   -2.536880    2.321381     3    64    66    70
    66  O     -1.977536   -2.758381    3.025082     5    65
    67  HN    -2.814814    0.449027    2.070968     4    63
    68  H     -4.777494   -1.469645    2.927189     6    64
    69  H     -4.207241   -0.967444    1.330640     6    64
    70  N     -3.452877   -3.477155    1.484044     1    65    71    74
    71  CA    -2.872247   -4.738230    1.193781     2    70    72    75    76
    72  C     -1.383924   -4.694170    0.776826     3    71    73    77
    73  O     -1.104154   -4.324146   -0.369690     5    72
    74  HN    -4.378279   -3.364386    1.044292     4    70
    75  H     -2.966335   -5.401426    2.149320     6    71
    76  H     -3.409704   -5.261115    0.394891     6    71
    77  N     -0.436787   -5.311160    1.542966     1    72    78    81
    78  CA     1.028613   -5.276760    1.383294     2    77    79    82    83
    79  C      1.767281   -4.725701    2.671479     3    78    80    84
    80  O      2.967009   -4.997223    2.820352     5    79
    81  HN    -0.825356   -5.700308    2.396064     4    77
    82  H      1.486359   -6.230510    1.128241     6    78
    83  H      1.354495   -4.565211    0.593638     6    78
    84  N      0.968150   -4.102416    3.622956     1    79    85    88
    85  CA     1.468461   -3.873300    4.946919     2    84    86    89    90
    86  C      0.543383   -2.937536    5.755818     3    85    87    91
    87  O     -0.467043   -3.410955    6.187139     5    86
    88  HN     0.097867   -3.619424    3.348507     4    84
    89  H      1.778474   -4.848962    5.378038     6    85
    90  H      2.454700   -3.362116    4.846466     6    85
    91  N      0.914041   -1.625549    5.999580   230    86    92    93
    92  C      0.120212   -0.621196    6.634409   232    91    94    95    96
    93  HN     1.881299   -1.346144    5.737721   231    91
    94  H      0.464497   -0.537335    7.657894   233    92
    95  H     -0.942124   -0.764470    6.683222   233    92
    96  H      0.392302    0.373357    6.323353   233    92
96 12_Glycine
     1  C    -11.194270  -21.394458  -15.649317   224     2     4     5     6
     2  C    -10.337525  -21.831361  -14.459277   226     1     3     7
     3  O     -9.643253  -22.846417  -14.671870   227     2
     4  H    -10.871518  -21.851030  -16.628627   225     1
     5  H    -11.255565  -20.269914  -15.856728   225     1
     6  H    -12.267270  -21.763352  -15.504787   225     1
     7  N    -10.354660  -21.141889  -13.286841     1     2     8    11
     8  CA    -9.692700  -21.494248  -12.077124     2     7     9    12    13
     9  C    -10.636562  -21.837672  -10.900351     3     8    10    14
    10  O    -11.846333  -22.053928  -11.143228     5     9
    11  HN   -11.029611  -20.383579  -13.135753     4     7
    12  H     -9.079516  -22.418548  -12.277897     6     8
    13  H     -9.098003  -20.732743  -11.663928     6     8
    14  N    -10.134652  -21.783252   -9.543504     1     9    15    18
    15  CA   -10.850187  -22.066279   -8.356635     2    14    16    19    20
    16  C    -11.626800  -20.783995   -7.989705     3    15    17    21
    17  O    -11.398884  -19.605520   -8.447350     5    16
    18  HN    -9.118919  -21.656668   -9.417274     4    14
    19  H    -11.567432  -22.909268   -8.460148     6    15
    20  H    -10.163980  -22.333123   -7.512531     6    15
    21  N    -12.545517  -20.923679   -6.981742     1    16    22    25
    22  CA   -13.421200  -19.861260   -6.479723     2    21    23    26    27
    23  C    -13.006071  -18.805784   -5.500146     3    22    24    28
    24  O    -11.832638  -18.820482   -5.103441     5    23
    25  HN   -12.496629  -21.733514   -6.351769     4    21
    26  H    -13.953457  -19.418188   -7.273723     6    22
    27  H    -14.196081  -20.453880   -5.963409     6    22
    28  N    -13.976783  -17.974592   -5.088655     1    23    29    32
    29  CA   -13.699269  -17.022128   -3.985516     2    28    30    33    34
    30  C    -13.458722  -17.781183   -2.666240     3    29    31    35
    31  O    -13.860806  -18.922825   -2.543200     5    30
    32  HN   -14.926572  -17.950178   -5.526425     4    28
    33  H    -12.793584  -16.497696   -4.288794     6    29
    34  H    -14.600793  -16.366523   -3.788177     6    29
    35  N    -12.843094  -17.147331   -1.634900     1    30    36    39
    36  CA   -12.545755  -17.575057   -0.336963     2    35    37    40    41
    37  C    -13.560603  -17.197119    0.772460     3    36    38    42
    38  O    -13.539978  -17.847322    1.803968     5    37
    39  HN   -12.562479  -16.183416   -1.865051     4    35
    40  H    -12.393300  -18.680222   -0.251983     6    36
    41  H    -11.492025  -17.279820   -0.132742     6    36
    42  N    -14.555235  -16.265588    0.664098     1    37    43    46
    43  CA   -15.475163  -15.936952    1.770914     2    42    44    47    48
    44  C    -16.665892  -15.110510    1.276372     3    43    45    49
    45  O    -16.684451  -13.851957    1.187546     5    44
    46  HN   -14.649436  -15.675998   -0.223336     4    42
    47  H    -15.805151  -16.967146    2.151847     6    43
    48  H    -14.860494  -15.421473    2.611908     6    43
    49  N    -17.790186  -15.843062    1.153407     1    44    50    53
    50  CA   -19.141317  -15.381343    0.756106     2    49    51    54    55
    51  C    -20.021080  -16.300804   -0.076598     3    50    52    56
    52  O    -21.236320  -16.029120   -0.311585     5    51
    53  HN   -17.719411  -16.918429    1.387461     4    49
    54  H    -19.726691  -15.184881    1.646940     6    50
    55  H    -19.037822  -14.372534    0.158341     6    50
    56  N    -19.516539  -17.533764   -0.417743     1    51    57    60
    57  CA   -20.186584  -18.468677   -1.276689     2    56    58    61    62
    58  C    -20.278866  -17.947214   -2.667897     3    57    59    63
    59  O    -20.095396  -16.790922   -2.956798     5    58
    60  HN   -18.615090  -17.897644   -0.099957     4    56
    61  H    -19.713255  -19.463615   -1.263742     6    57
    62  H    -21.241598  -18.479953   -0.887770     6    57
    63  N    -20.452890  -18.876765   -3.576836     1    58    64    67
    64  CA   -20.483489  -18.699702   -5.022794     2    63    65    68    69
    65  C    -21.149382  -19.825419   -5.856480     3    64    66    70
    66  O    -20.923631  -20.051427   -7.108170     5    65
    67  HN   -20.591090  -19.843007   -3.249455     4    63
    68  H    -20.914086  -17.676310   -5.304532     6    64
    69  H    -19.389709  -18.725461   -5.282748     6    64
    70  N    -22.119081  -20.403400   -5.132357     1    65    71    74
    71  CA   -22.855562  -21.521140   -5.533297     2    70    72    75    76
    72  C    -24.091062  -21.188647   -6.287739     3    71    73    77
    73  O    -24.369641  -20.036976   -6.518399     5    72
    74  HN   -22.474436  -20.020336   -4.183585     4    70
    75  H    -22.199820  -22.088487   -6.238126     6    71
    76  H    -23.098080  -22.239738   -4.665618     6    71
    77  N    -24.961301  -22.196449   -6.559616     1    72    78    81
    78  CA   -26.307791  -22.154065   -7.204769     2    77    79    82    83
    79  C    -26.243246  -22.285690   -8.738725     3    78    80    84
    80  O    -25.250498  -21.941906   -9.361082     5    79
    81  HN   -24.687861  -23.210467   -6.530409     4    77
    82  H    -26.878522  -22.954885   -6.752396     6    78
    83  H    -26.857590  -21.186725   -6.907553     6    78
    84  N    -27.423061  -22.732714   -9.253277     1    79    85    88
    85  CA   -27.607481  -22.768859  -10.706008     2    84    86    89    90
    86  C    -27.296047  -24.238209  -11.174013     3    85    87    91
    87  O    -26.707385  -25.021478  -10.416313     5    86
    88  HN   -28.179204  -23.202645   -8.708547     4    84
    89  H    -28.671606  -22.422859  -10.891473     6    85
    90  H    -26.957748  -21.954810  -11.182449     6    85
    91  N    -27.851745  -24.644731  -12.402337   230    86    92    93
    92  C    -27.826614  -25.958856  -12.992690   232    91    94    95    96
    93  HN   -28.240813  -23.940747  -13.010628   231    91
    94  H    -28.505848  -26.013006  -13.898590   233    92
    95  H    -28.105359  -26.731829  -12.284626   233    92
    96  H    -26.788410  -26.257228  -13.404795   233    92
96 12_Glycine
     1  C      8.287434  -12.570359  -17.252204   224     2     4     5     6
     2  C      9.233968  -11.494558  -16.728614   226     1     3     7
     3  O      9.590073  -11.413260  -15.568459   227     2
     4  H      8.744019  -13.575221  -17.405987   225     1
     5  H      7.770057  -12.342971  -18.164277   225     1
     6  H      7.449913  -12.768557  -16.517121   225     1
     7  N      9.757974  -10.726535  -17.706320     1     2     8    11
     8  CA    10.903852   -9.800444  -17.488006     2     7     9    12    13
     9  C     10.543651   -8.392552  -18.002993     3     8    10    14
    10  O     11.353380   -7.532985  -18.229936     5     9
    11  HN     9.393160  -10.799513  -18.684884     4     7
    12  H     11.146647   -9.623883  -16.410621     6     8
    13  H     11.857954  -10.220578  -17.947134     6     8
    14  N      9.236262   -8.127153  -18.213671     1     9    15    18
    15  CA     8.574199   -6.898352  -18.604188     2    14    16    19    20
    16  C      7.459974   -6.952732  -19.676092     3    15    17    21
    17  O      6.734620   -5.996739  -19.664700     5    16
    18  HN     8.478613   -8.758872  -17.920499     4    14
    19  H      8.199640   -6.514356  -17.647705     6    15
    20  H      9.313498   -6.211556  -19.046067     6    15
    21  N      7.343339   -7.985760  -20.529421     1    16    22    25
    22  CA     6.257234   -8.293590  -21.413492     2    21    23    26    27
    23  C      5.213891   -9.364774  -21.010473     3    22    24    28
    24  O      4.232125   -9.597992  -21.792596     5    23
    25  HN     8.108436   -8.658109  -20.468956     4    21
    26  H      5.660413   -7.366136  -21.848464     6    22
    27  H      6.688744   -8.669299  -22.349265     6    22
    28  N      5.342675   -9.977809  -19.808187     1    23    29    32
    29  CA     4.467383  -11.056294  -19.352738     2    28    30    33    34
    30  C      3.656678  -10.617749  -18.076690     3    29    31    35
    31  O      3.928779   -9.505742  -17.616642     5    30
    32  HN     5.978426   -9.573742  -19.032353     4    28
    33  H      3.789891  -11.358179  -20.158581     6    29
    34  H      5.073314  -12.032220  -19.176011     6    29
    35  N      2.764784  -11.472139  -17.527017     1    30    36    39
    36  CA     1.761654  -11.086919  -16.551217     2    35    37    40    41
    37  C      1.915532  -11.672315  -15.137516     3    36    38    42
    38  O      3.044650  -12.010956  -14.762027     5    37
    39  HN     2.590852  -12.409011  -17.974269     4    35
    40  H      1.565049   -9.959058  -16.662445     6    36
    41  H      0.823677  -11.481430  -16.853407     6    36
    42  N      0.816442  -11.832859  -14.435728     1    37    43    46
    43  CA     0.686547  -12.382428  -13.092717     2    42    44    47    48
    44  C      0.622731  -11.433812  -11.880535     3    43    45    49
    45  O      0.900379  -11.807870  -10.740781     5    44
    46  HN     0.006202  -11.415946  -14.856907     4    42
    47  H     -0.232698  -13.073925  -12.944403     6    43
    48  H      1.549094  -13.061741  -12.905688     6    43
    49  N      0.287192  -10.078599  -12.118562     1    44    50    53
    50  CA     0.322279   -9.032616  -11.110362     2    49    51    54    55
    51  C     -1.171929   -8.790315  -10.742035     3    50    52    56
    52  O     -1.995365   -9.602245  -11.165264     5    51
    53  HN     0.128151   -9.706755  -13.072071     4    49
    54  H      0.989353   -9.322194  -10.222300     6    50
    55  H      0.743373   -8.173903  -11.632142     6    50
    56  N     -1.394788   -7.819420   -9.880893     1    51    57    60
    57  CA    -2.708824   -7.657867   -9.212972     2    56    58    61    62
    58  C     -2.932296   -6.231212   -8.748984     3    57    59    63
    59  O     -2.450515   -5.305080   -9.404230     5    58
    60  HN    -0.617045   -7.170141   -9.546218     4    56
    61  H     -3.506610   -7.806500  -10.003340     6    57
    62  H     -2.848022   -8.472955   -8.488086     6    57
    63  N     -3.728898   -6.092533   -7.681798     1    58    64    67
    64  CA    -4.281160   -4.884349   -7.081271     2    63    65    68    69
    65  C     -5.737995   -5.021969   -6.602054     3    64    66    70
    66  O     -6.473487   -6.005818   -6.790987     5    65
    67  HN    -4.041462   -6.847848   -7.117222     4    63
    68  H     -3.781378   -4.601976   -6.094185     6    64
    69  H     -4.198686   -3.998131   -7.788069     6    64
    70  N     -6.100697   -4.040104   -5.789319     1    65    71    74
    71  CA    -7.370616   -3.735277   -5.080380     2    70    72    75    76
    72  C     -7.904531   -2.335640   -5.341643     3    71    73    77
    73  O     -9.120005   -2.096755   -5.544298     5    72
    74  HN    -5.526932   -3.188978   -5.664739     4    70
    75  H     -8.152510   -4.452306   -5.231319     6    71
    76  H     -7.191742   -3.831111   -3.978080     6    71
    77  N     -7.004979   -1.262644   -5.496968     1    72    78    81
    78  CA    -7.533886    0.079609   -5.885187     2    77    79    82    83
    79  C     -8.115267    0.204476   -7.294985     3    78    80    84
    80  O     -7.843592   -0.664627   -8.234031     5    79
    81  HN    -6.005124   -1.311694   -5.328966     4    77
    82  H     -8.227945    0.543184   -5.137402     6    78
    83  H     -6.619517    0.706247   -5.831283     6    78
    84  N     -8.638395    1.427883   -7.553845     1    79    85    88
    85  CA    -9.375707    1.643809   -8.729077     2    84    86    89    90
    86  C    -10.691520    0.896152   -8.730054     3    85    87    91
    87  O    -10.971690    0.413828   -7.617467     5    86
    88  HN    -8.527515    2.155061   -6.822402     4    84
    89  H     -9.609156    2.687519   -8.755330     6    85
    90  H     -8.751889    1.459164   -9.646703     6    85
    91  N    -11.456106    0.711010   -9.843562   230    86    92    93
    92  C    -12.518315   -0.233144  -10.005017   232    91    94    95    96
    93  HN   -11.102340    1.098399  -10.697155   231    91
    94  H    -13.509953    0.213812   -9.985836   233    92
    95  H    -12.433918   -1.057509   -9.285938   233    92
    96  H    -12.456326   -0.650461  -11.041851   233    92
96 12_Glycine
     1  C     -3.123988   18.969443   15.300173   224     2     4     5     6
     2  C     -2.239866   18.396383   14.247485   226     1     3     7
     3  O     -1.002638   18.627171   14.310773   227     2
     4  H     -4.191161   18.807204   14.994157   225     1
     5  H     -2.914280   20.050966   15.500366   225     1
     6  H     -2.971732   18.481054   16.267251   225     1
     7  N     -2.757401   17.732162   13.177933     1     2     8    11
     8  CA    -1.970472   17.333942   12.023941     2     7     9    12    13
     9  C     -1.731249   18.455116   11.041102     3     8    10    14
    10  O     -2.366736   19.495184   11.114908     5     9
    11  HN    -3.731117   17.596607   13.042688     4     7
    12  H     -0.979254   16.926463   12.422802     6     8
    13  H     -2.563454   16.638545   11.352963     6     8
    14  N     -0.943572   18.091841    9.985645     1     9    15    18
    15  CA    -0.594052   18.869232    8.795846     2    14    16    19    20
    16  C     -1.701584   19.180223    7.741869     3    15    17    21
    17  O     -2.861160   18.722972    7.753203     5    16
    18  HN    -0.656201   17.069653    9.898617     4    14
    19  H     -0.227626   19.785958    9.185591     6    15
    20  H      0.263494   18.277502    8.267307     6    15
    21  N     -1.132988   19.969735    6.773454     1    16    22    25
    22  CA    -1.523544   20.416774    5.494887     2    21    23    26    27
    23  C     -1.087154   19.449155    4.420392     3    22    24    28
    24  O     -0.641839   18.334894    4.704170     5    23
    25  HN    -0.157861   20.204032    6.930328     4    21
    26  H     -2.595774   20.769450    5.444105     6    22
    27  H     -1.040318   21.396496    5.343289     6    22
    28  N     -1.195910   19.845395    3.086934     1    23    29    32
    29  CA    -1.041805   19.077625    1.854022     2    28    30    33    34
    30  C      0.350717   18.663567    1.457399     3    29    31    35
    31  O      1.276939   19.505489    1.530751     5    30
    32  HN    -1.600075   20.793064    2.951172     4    28
    33  H     -1.622575   18.115489    1.994275     6    29
    34  H     -1.368115   19.722015    0.975765     6    29
    35  N      0.466429   17.471330    0.750950     1    30    36    39
    36  CA     1.705306   16.873838    0.201562     2    35    37    40    41
    37  C      2.366681   15.822112    1.066802     3    36    38    42
    38  O      1.670221   15.100229    1.740003     5    37
    39  HN    -0.268828   17.111863    0.066303     4    35
    40  H      1.506784   16.412876   -0.887763     6    36
    41  H      2.356436   17.703145   -0.022253     6    36
    42  N      3.679431   15.637444    0.892271     1    37    43    46
    43  CA     4.338213   14.551768    1.516966     2    42    44    47    48
    44  C      4.288720   13.206760    0.807100     3    43    45    49
    45  O      4.835943   12.251688    1.338691     5    44
    46  HN     4.158812   16.123437    0.135088     4    42
    47  H      5.371681   14.904775    1.676700     6    43
    48  H      3.891458   14.497743    2.519113     6    43
    49  N      3.876266   13.143629   -0.472003     1    44    50    53
    50  CA     3.621659   11.923821   -1.284613     2    49    51    54    55
    51  C      2.498044   10.983118   -0.858140     3    50    52    56
    52  O      2.087826   11.034862    0.261589     5    51
    53  HN     3.708145   13.995530   -0.959703     4    49
    54  H      3.324380   12.283248   -2.263098     6    50
    55  H      4.524917   11.278060   -1.310982     6    50
    56  N      1.936061   10.188654   -1.795374     1    51    57    60
    57  CA     0.924626    9.200412   -1.606634     2    56    58    61    62
    58  C      0.176630    8.815308   -2.953079     3    57    59    63
    59  O     -0.124070    9.737990   -3.724239     5    58
    60  HN     2.225553   10.286023   -2.807273     4    56
    61  H      1.320875    8.288005   -1.170095     6    57
    62  H      0.132579    9.622220   -0.927057     6    57
    63  N     -0.035159    7.545248   -3.261641     1    58    64    67
    64  CA    -1.022755    7.150969   -4.313406     2    63    65    68    69
    65  C     -0.905306    5.671866   -4.782806     3    64    66    70
    66  O     -1.690716    5.179318   -5.540291     5    65
    67  HN     0.247755    6.800041   -2.642363     4    63
    68  H     -2.029325    7.420887   -3.818131     6    64
    69  H     -0.852115    7.755813   -5.151732     6    64
    70  N      0.180453    5.010628   -4.290239     1    65    71    74
    71  CA     0.134408    3.540689   -4.446110     2    70    72    75    76
    72  C     -0.981488    2.939246   -3.619527     3    71    73    77
    73  O     -1.520096    3.508639   -2.646536     5    72
    74  HN     1.095009    5.361603   -3.985555     4    70
    75  H      0.007809    3.300786   -5.499597     6    71
    76  H      1.103110    3.041161   -4.235447     6    71
    77  N     -1.226118    1.622116   -3.916451     1    72    78    81
    78  CA    -2.380822    0.934563   -3.449596     2    77    79    82    83
    79  C     -3.633672    1.417763   -4.076879     3    78    80    84
    80  O     -3.519572    2.221490   -4.978099     5    79
    81  HN    -0.711699    1.031530   -4.659620     4    77
    82  H     -2.313027   -0.132229   -3.706456     6    78
    83  H     -2.434048    1.033104   -2.327220     6    78
    84  N     -4.843253    1.049191   -3.515496     1    79    85    88
    85  CA    -6.204175    1.324752   -4.038381     2    84    86    89    90
    86  C     -6.989692    0.263072   -4.753006     3    85    87    91
    87  O     -6.458432   -0.712379   -5.312324     5    86
    88  HN    -4.806710    0.531746   -2.644209     4    84
    89  H     -6.791088    1.579167   -3.074105     6    85
    90  H     -6.238297    2.223530   -4.703410     6    85
    91  N     -8.293889    0.449066   -4.761362   230    86    92    93
    92  C     -9.356534   -0.404371   -5.280953   232    91    94    95    96
    93  HN    -8.605043    1.379479   -4.367542   231    91
    94  H     -9.284835   -0.610826   -6.377067   233    92
    95  H    -10.383488   -0.015175   -5.007042   233    92
    96  H     -9.327193   -1.317090   -4.700386   233    92
96 12_Glycine
     1  C     10.934156  -13.938824    3.371610   224     2     4     5     6
     2  C     11.010070  -14.360584    1.926870   226     1     3     7
     3  O     11.602768  -15.418364    1.563336   227     2
     4  H     10.371253  -14.636696    4.009906   225     1
     5  H     10.462983  -12.887345    3.372004   225     1
     6  H     11.928495  -13.894592    3.889588   225     1
     7  N     10.213794  -13.656503    1.061905     1     2     8    11
     8  CA    10.146809  -13.793498   -0.371154     2     7     9    12    13
     9  C      9.937592  -12.447275   -1.056375     3     8    10    14
    10  O     10.275280  -11.365683   -0.553979     5     9
    11  HN     9.847745  -12.761428    1.444346     4     7
    12  H     11.056582  -14.229326   -0.832947     6     8
    13  H      9.274605  -14.404814   -0.679400     6     8
    14  N      9.376403  -12.515928   -2.290722     1     9    15    18
    15  CA     9.059320  -11.484869   -3.205571     2    14    16    19    20
    16  C      7.595522  -11.272000   -3.461329     3    15    17    21
    17  O      6.745885  -11.847429   -2.748205     5    16
    18  HN     9.172488  -13.414497   -2.671860     4    14
    19  H      9.635865  -10.490943   -3.048260     6    15
    20  H      9.425562  -11.842268   -4.269993     6    15
    21  N      7.215223  -10.649341   -4.621560     1    16    22    25
    22  CA     5.934408  -10.228761   -5.059528     2    21    23    26    27
    23  C      5.938301  -10.144873   -6.621018     3    22    24    28
    24  O      6.807644  -10.667826   -7.316807     5    23
    25  HN     7.972572  -10.204363   -5.144034     4    21
    26  H      5.108076  -10.912676   -4.653420     6    22
    27  H      5.683414   -9.178367   -4.689547     6    22
    28  N      4.896896   -9.502980   -7.131790     1    23    29    32
    29  CA     4.730313   -9.182911   -8.498808     2    28    30    33    34
    30  C      3.533806   -8.324768   -8.687621     3    29    31    35
    31  O      2.385888   -8.740216   -8.526867     5    30
    32  HN     4.118698   -9.113847   -6.562459     4    28
    33  H      5.683461   -8.657677   -8.721024     6    29
    34  H      4.721011  -10.117648   -9.123833     6    29
    35  N      3.906363   -7.045076   -9.020487     1    30    36    39
    36  CA     2.814747   -5.992509   -9.119218     2    35    37    40    41
    37  C      3.355138   -4.696800   -8.591781     3    36    38    42
    38  O      4.178644   -4.585738   -7.731033     5    37
    39  HN     4.851070   -6.712971   -9.266073     4    35
    40  H      2.536693   -5.869295  -10.152927     6    36
    41  H      1.900303   -6.259026   -8.592761     6    36
    42  N      2.707728   -3.580757   -9.053305     1    37    43    46
    43  CA     3.158003   -2.213323   -8.552492     2    42    44    47    48
    44  C      4.476678   -1.790853   -9.212144     3    43    45    49
    45  O      4.575815   -1.961089  -10.440134     5    44
    46  HN     1.911361   -3.549785   -9.697468     4    42
    47  H      2.389318   -1.442508   -8.655725     6    43
    48  H      3.298239   -2.243186   -7.430306     6    43
    49  N      5.362057   -1.054111   -8.536503     1    44    50    53
    50  CA     6.735766   -0.890994   -8.986093     2    49    51    54    55
    51  C      7.483566   -2.231706   -8.823039     3    50    52    56
    52  O      7.149987   -2.993855   -7.919220     5    51
    53  HN     5.226104   -0.823370   -7.524767     4    49
    54  H      6.680023   -0.490099  -10.045313     6    50
    55  H      7.307002   -0.200609   -8.377398     6    50
    56  N      8.608667   -2.498254   -9.517288     1    51    57    60
    57  CA     9.404877   -3.728256   -9.483702     2    56    58    61    62
    58  C      9.226546   -4.460132  -10.805044     3    57    59    63
    59  O      8.591434   -3.915604  -11.736288     5    58
    60  HN     8.790678   -1.789947  -10.270577     4    56
    61  H     10.497921   -3.522774   -9.306188     6    57
    62  H      8.975666   -4.348496   -8.600462     6    57
    63  N      9.774163   -5.793113  -10.917374     1    58    64    67
    64  CA     9.652909   -6.718208  -11.981317     2    63    65    68    69
    65  C     11.075061   -7.210174  -12.313823     3    64    66    70
    66  O     12.122095   -6.584131  -12.177245     5    65
    67  HN    10.337153   -6.161750  -10.140259     4    63
    68  H      9.048795   -7.610498  -11.670397     6    64
    69  H      9.155037   -6.252597  -12.863842     6    64
    70  N     11.072152   -8.510184  -12.778973     1    65    71    74
    71  CA    12.221873   -9.235757  -13.322523     2    70    72    75    76
    72  C     12.428857   -8.810330  -14.774578     3    71    73    77
    73  O     11.589821   -8.237157  -15.459709     5    72
    74  HN    10.207573   -9.113720  -12.839293     4    70
    75  H     13.103739   -9.247849  -12.772054     6    71
    76  H     11.851121  -10.307380  -13.221814     6    71
    77  N     13.655433   -8.934599  -15.262680     1    72    78    81
    78  CA    14.147523   -8.563490  -16.568204     2    77    79    82    83
    79  C     15.000988   -7.325705  -16.528268     3    78    80    84
    80  O     14.645489   -6.248596  -16.032350     5    79
    81  HN    14.237046   -9.575911  -14.680466     4    77
    82  H     14.700353   -9.459010  -16.956274     6    78
    83  H     13.397848   -8.402876  -17.370328     6    78
    84  N     16.053881   -7.377737  -17.325097     1    79    85    88
    85  CA    16.872599   -6.197582  -17.594603     2    84    86    89    90
    86  C     17.666232   -5.785157  -16.407503     3    85    87    91
    87  O     17.897542   -6.556126  -15.403964     5    86
    88  HN    16.324470   -8.230680  -17.840951     4    84
    89  H     17.548609   -6.519750  -18.409230     6    85
    90  H     16.095535   -5.364609  -17.802659     6    85
    91  N     18.354651   -4.568291  -16.599731   230    86    92    93
    92  C     19.187689   -3.875239  -15.581802   232    91    94    95    96
    93  HN    18.056500   -4.087619  -17.439747   231    91
    94  H     19.612684   -2.919116  -16.072234   233    92
    95  H     20.006748   -4.458875  -15.129155   233    92
    96  H     18.563684   -3.592785  -14.676618   233    92
96 12_Glycine
     1  C    -12.236832  -24.186064  -14.027791   224     2     4     5     6
     2  C    -11.578698  -24.661952  -12.803954   226     1     3     7
     3  O    -10.755401  -25.594387  -12.758170   227     2
     4  H    -11.832067  -23.150356  -14.247492   225     1
     5  H    -13.400433  -24.129740  -13.888392   225     1
     6  H    -11.929098  -24.800039  -14.811070   225     1
     7  N    -11.701724  -23.830771  -11.709737     1     2     8    11
     8  CA   -10.975093  -24.032604  -10.478125     2     7     9    12    13
     9  C    -11.833436  -23.978377   -9.190467     3     8    10    14
    10  O    -13.040574  -24.108187   -9.235805     5     9
    11  HN   -12.406566  -23.079667  -11.700214     4     7
    12  H    -10.286702  -24.900434  -10.489417     6     8
    13  H    -10.347228  -23.125469  -10.332785     6     8
    14  N    -11.083067  -23.802350   -8.055239     1     9    15    18
    15  CA   -11.481867  -23.833215   -6.660977     2    14    16    19    20
    16  C    -12.319024  -22.604358   -6.198563     3    15    17    21
    17  O    -12.706555  -21.765642   -7.025207     5    16
    18  HN   -10.006563  -23.798511   -8.050240     4    14
    19  H    -12.151911  -24.689998   -6.481059     6    15
    20  H    -10.562649  -23.942388   -6.021232     6    15
    21  N    -12.429690  -22.391160   -4.843314     1    16    22    25
    22  CA   -13.030812  -21.341862   -4.122894     2    21    23    26    27
    23  C    -12.131958  -20.158367   -3.672487     3    22    24    28
    24  O    -10.880990  -20.196607   -3.896276     5    23
    25  HN   -12.173784  -23.097578   -4.134772     4    21
    26  H    -13.810341  -20.834679   -4.689101     6    22
    27  H    -13.510787  -21.622286   -3.166847     6    22
    28  N    -12.722386  -19.161092   -2.938440     1    23    29    32
    29  CA   -12.097885  -18.085533   -2.197241     2    28    30    33    34
    30  C    -11.623949  -18.477135   -0.780775     3    29    31    35
    31  O    -11.430529  -19.663842   -0.386581     5    30
    32  HN   -13.746328  -19.160608   -2.805964     4    28
    33  H    -11.188279  -17.818676   -2.727373     6    29
    34  H    -12.732426  -17.159280   -2.061071     6    29
    35  N    -11.349835  -17.441243    0.027699     1    30    36    39
    36  CA   -10.878366  -17.684997    1.481952     2    35    37    40    41
    37  C    -11.333528  -16.639861    2.556720     3    36    38    42
    38  O    -11.046393  -16.877272    3.756402     5    37
    39  HN   -11.383396  -16.473276   -0.285578     4    35
    40  H    -11.154635  -18.675819    1.804202     6    36
    41  H     -9.774188  -17.622591    1.553981     6    36
    42  N    -12.074864  -15.541026    2.118229     1    37    43    46
    43  CA   -12.602528  -14.499359    3.038588     2    42    44    47    48
    44  C    -13.719962  -13.603466    2.448367     3    43    45    49
    45  O    -13.722819  -12.372943    2.726897     5    44
    46  HN   -12.060762  -15.359905    1.106222     4    42
    47  H    -13.128709  -15.051088    3.886365     6    43
    48  H    -11.749761  -13.840958    3.421137     6    43
    49  N    -14.498993  -14.073228    1.468669     1    44    50    53
    50  CA   -15.614758  -13.350218    0.840888     2    49    51    54    55
    51  C    -16.889168  -14.147602    0.619737     3    50    52    56
    52  O    -17.812525  -13.569172   -0.014759     5    51
    53  HN   -14.351603  -15.033207    1.063361     4    49
    54  H    -15.992439  -12.527671    1.487418     6    50
    55  H    -15.228298  -12.939774   -0.120516     6    50
    56  N    -17.036090  -15.447026    0.972155     1    51    57    60
    57  CA   -18.308595  -16.158620    0.843200     2    56    58    61    62
    58  C    -18.142332  -17.358002   -0.182008     3    57    59    63
    59  O    -17.324955  -17.367994   -1.069329     5    58
    60  HN   -16.267963  -16.026315    1.289562     4    56
    61  H    -18.567945  -16.504912    1.812366     6    57
    62  H    -19.135143  -15.586584    0.346903     6    57
    63  N    -19.036026  -18.356019    0.028706     1    58    64    67
    64  CA   -19.125840  -19.533334   -0.852379     2    63    65    68    69
    65  C    -19.620530  -19.365920   -2.298582     3    64    66    70
    66  O    -18.911389  -19.770664   -3.233778     5    65
    67  HN   -19.753239  -18.259826    0.726036     4    63
    68  H    -18.172607  -19.969926   -0.951554     6    64
    69  H    -19.620238  -20.387592   -0.325337     6    64
    70  N    -20.831909  -18.735360   -2.415091     1    65    71    74
    71  CA   -21.472563  -18.410191   -3.687148     2    70    72    75    76
    72  C    -22.411677  -19.581703   -4.202405     3    71    73    77
    73  O    -22.293723  -20.778573   -3.854765     5    72
    74  HN   -21.196166  -18.225126   -1.632552     4    70
    75  H    -21.983451  -17.485412   -3.593464     6    71
    76  H    -20.716432  -18.186530   -4.471337     6    71
    77  N    -23.411030  -19.149549   -5.003664     1    72    78    81
    78  CA   -24.272444  -20.048445   -5.793787     2    77    79    82    83
    79  C    -23.899280  -20.337270   -7.195744     3    78    80    84
    80  O    -22.773591  -20.109376   -7.664867     5    79
    81  HN   -23.452262  -18.141763   -5.176132     4    77
    82  H    -24.323287  -21.025762   -5.278557     6    78
    83  H    -25.328595  -19.683316   -5.766132     6    78
    84  N    -24.895591  -20.712558   -8.059808     1    79    85    88
    85  CA   -24.848586  -21.091612   -9.509724     2    84    86    89    90
    86  C    -25.941812  -22.074161  -10.038213     3    85    87    91
    87  O    -26.416563  -22.915728   -9.267388     5    86
    88  HN   -25.855873  -20.849981   -7.666972     4    84
    89  H    -24.930562  -20.139753  -10.179402     6    85
    90  H    -23.866745  -21.667725   -9.813181     6    85
    91  N    -26.325972  -22.054715  -11.360461   230    86    92    93
    92  C    -27.172258  -22.931258  -12.121271   232    91    94    95    96
    93  HN   -25.827043  -21.330487  -11.894458   231    91
    94  H    -27.317299  -22.611032  -13.201441   233    92
    95  H    -28.170578  -22.977169  -11.633523   233    92
    96  H    -26.768539  -23.945564  -11.999853   233    92
96 12_Glycine
     1  C     -7.357002   -6.902354  -10.603786   224     2     4     5     6
     2  C     -6.255990   -7.147944   -9.573033   226     1     3     7
     3  O     -5.483872   -8.109296   -9.624550   227     2
     4  H     -7.594855   -7.846851  -11.102165   225     1
     5  H     -6.983004   -6.245272  -11.430547   225     1
     6  H     -8.330597   -6.415370  -10.227792   225     1
     7  N     -6.181066   -6.249535   -8.598423     1     2     8    11
     8  CA    -5.096523   -6.234872   -7.595342     2     7     9    12    13
     9  C     -3.918320   -5.257549   -8.025417     3     8    10    14
    10  O     -3.787252   -4.837361   -9.189974     5     9
    11  HN    -6.866967   -5.491462   -8.428856     4     7
    12  H     -5.506357   -5.891398   -6.598292     6     8
    13  H     -4.643508   -7.207026   -7.361758     6     8
    14  N     -3.074745   -4.935338   -6.997743     1     9    15    18
    15  CA    -1.936207   -4.058991   -7.103164     2    14    16    19    20
    16  C     -2.443649   -2.613857   -7.377508     3    15    17    21
    17  O     -3.395400   -2.148163   -6.767844     5    16
    18  HN    -3.204795   -5.377761   -6.089871     4    14
    19  H     -1.406257   -4.179403   -6.152792     6    15
    20  H     -1.317450   -4.551607   -7.945600     6    15
    21  N     -1.613993   -1.909106   -8.179588     1    16    22    25
    22  CA    -1.676342   -0.480534   -8.588989     2    21    23    26    27
    23  C     -2.704006   -0.227192   -9.611023     3    22    24    28
    24  O     -3.368832   -1.173115  -10.059418     5    23
    25  HN    -0.863447   -2.304127   -8.743355     4    21
    26  H     -1.796677    0.192253   -7.759429     6    22
    27  H     -0.677599   -0.210635   -9.007501     6    22
    28  N     -3.002520    1.074042   -9.939453     1    23    29    32
    29  CA    -4.094786    1.604664  -10.698276     2    28    30    33    34
    30  C     -4.526394    3.049096  -10.230057     3    29    31    35
    31  O     -4.935895    3.853196  -11.086928     5    30
    32  HN    -2.300640    1.749461   -9.598629     4    28
    33  H     -3.723152    1.598403  -11.748166     6    29
    34  H     -4.994165    0.936889  -10.721487     6    29
    35  N     -4.359078    3.297344   -8.925049     1    30    36    39
    36  CA    -4.493023    4.641548   -8.526114     2    35    37    40    41
    37  C     -4.235027    4.918335   -7.063575     3    36    38    42
    38  O     -4.707244    4.212393   -6.120129     5    37
    39  HN    -4.203430    2.511314   -8.242146     4    35
    40  H     -3.758667    5.211188   -9.120444     6    36
    41  H     -5.545830    4.965285   -8.849447     6    36
    42  N     -3.666356    6.138353   -6.861672     1    37    43    46
    43  CA    -3.384195    6.724658   -5.592044     2    42    44    47    48
    44  C     -2.571112    5.915445   -4.582714     3    43    45    49
    45  O     -1.622014    5.227963   -4.908156     5    44
    46  HN    -3.314092    6.709660   -7.623188     4    42
    47  H     -2.815693    7.671111   -5.745105     6    43
    48  H     -4.341575    7.143701   -5.180487     6    43
    49  N     -2.803813    6.155681   -3.250225     1    44    50    53
    50  CA    -1.934312    5.660894   -2.170579     2    49    51    54    55
    51  C     -2.328551    4.281796   -1.559765     3    50    52    56
    52  O     -3.415896    3.765770   -1.833214     5    51
    53  HN    -3.592463    6.830458   -2.951335     4    49
    54  H     -0.813600    5.594450   -2.432621     6    50
    55  H     -2.018574    6.400027   -1.297798     6    50
    56  N     -1.463187    3.706481   -0.752991     1    51    57    60
    57  CA    -1.609270    2.338389   -0.153844     2    56    58    61    62
    58  C     -0.445167    1.349354   -0.592503     3    57    59    63
    59  O     -0.354785    0.212629   -0.145443     5    58
    60  HN    -0.611848    4.162126   -0.425849     4    56
    61  H     -1.462251    2.541450    0.984779     6    57
    62  H     -2.582432    1.914528   -0.333496     6    57
    63  N      0.380438    1.695120   -1.620885     1    58    64    67
    64  CA     1.395660    0.908979   -2.273329     2    63    65    68    69
    65  C      2.756958    1.311270   -1.627261     3    64    66    70
    66  O      2.865254    2.433677   -1.165762     5    65
    67  HN     0.243008    2.623030   -2.029319     4    63
    68  H      1.290815   -0.232282   -2.052486     6    64
    69  H      1.408670    1.103610   -3.326106     6    64
    70  N      3.805864    0.475819   -1.726442     1    65    71    74
    71  CA     5.132592    0.718267   -1.266530     2    70    72    75    76
    72  C      5.656062   -0.301116   -0.162570     3    71    73    77
    73  O      4.862116   -0.934212    0.575192     5    72
    74  HN     3.760853   -0.449544   -2.184507     4    70
    75  H      5.817633    0.931158   -2.104149     6    71
    76  H      5.111314    1.691293   -0.692110     6    71
    77  N      6.974120   -0.331452    0.051896     1    72    78    81
    78  CA     7.734068   -1.146563    1.051940     2    77    79    82    83
    79  C      9.140790   -1.431748    0.581011     3    78    80    84
    80  O      9.376336   -1.853407   -0.560539     5    79
    81  HN     7.493060    0.322729   -0.575114     4    77
    82  H      7.719354   -0.680639    2.087360     6    78
    83  H      7.173520   -2.060058    1.184780     6    78
    84  N     10.149982   -1.342052    1.484803     1    79    85    88
    85  CA    11.550086   -1.766289    1.324988     2    84    86    89    90
    86  C     11.980976   -2.879553    2.213727     3    85    87    91
    87  O     12.908212   -2.681803    3.033119     5    86
    88  HN     9.912804   -1.028079    2.429243     4    84
    89  H     11.805305   -1.999681    0.179078     6    85
    90  H     12.164567   -0.909753    1.674343     6    85
    91  N     11.189952   -3.976811    2.255182   230    86    92    93
    92  C     11.388219   -5.057505    3.198960   232    91    94    95    96
    93  HN    10.354672   -4.028279    1.691126   231    91
    94  H     10.500464   -5.771548    3.186567   233    92
    95  H     11.532460   -4.669919    4.184652   233    92
    96  H     12.325866   -5.549743    3.055951   233    92
96 12_Glycine
     1  C      3.650165  -28.221802    9.818423   224     2     4     5     6
     2  C      3.841082  -26.748269    9.549269   226     1     3     7
     3  O      2.858596  -26.075238    9.319553   227     2
     4  H      4.138489  -28.876265    9.090944   225     1
     5  H      2.668983  -28.518552    9.987991   225     1
     6  H      4.189702  -28.491071   10.783953   225     1
     7  N      5.036953  -26.210474    9.541568     1     2     8    11
     8  CA     5.418907  -24.819978    9.367721     2     7     9    12    13
     9  C      5.278018  -23.967436   10.652591     3     8    10    14
    10  O      4.435965  -24.286658   11.498114     5     9
    11  HN     5.901729  -26.737350    9.730753     4     7
    12  H      6.395246  -24.665689    8.898290     6     8
    13  H      4.616815  -24.334061    8.753316     6     8
    14  N      6.022697  -22.799401   10.691296     1     9    15    18
    15  CA     6.178617  -21.936444   11.851899     2    14    16    19    20
    16  C      7.574773  -21.897716   12.350916     3    15    17    21
    17  O      8.328373  -22.781905   11.923418     5    16
    18  HN     6.649277  -22.487195    9.925560     4    14
    19  H      5.877875  -20.915766   11.444534     6    15
    20  H      5.445096  -22.216379   12.594651     6    15
    21  N      7.851311  -20.963524   13.241230     1    16    22    25
    22  CA     9.214734  -20.855333   13.715795     2    21    23    26    27
    23  C      9.434315  -19.691484   14.693052     3    22    24    28
    24  O      8.855217  -19.675478   15.794447     5    23
    25  HN     7.140601  -20.223705   13.433587     4    21
    26  H      9.555699  -21.816878   14.142653     6    22
    27  H      9.859656  -20.660353   12.780844     6    22
    28  N     10.380858  -18.755562   14.448705     1    23    29    32
    29  CA    11.093812  -17.882896   15.354552     2    28    30    33    34
    30  C     11.274156  -16.459094   14.995459     3    29    31    35
    31  O     12.032700  -15.833102   15.750251     5    30
    32  HN    10.871248  -18.832646   13.523533     4    28
    33  H     10.637508  -17.912872   16.345389     6    29
    34  H     12.177013  -18.335768   15.486671     6    29
    35  N     10.593910  -15.939235   13.908467     1    30    36    39
    36  CA    10.912683  -14.590766   13.345283     2    35    37    40    41
    37  C     11.231801  -14.733200   11.870919     3    36    38    42
    38  O     11.754271  -15.753496   11.461756     5    37
    39  HN     9.835965  -16.464277   13.410217     4    35
    40  H     10.067463  -13.908459   13.444153     6    36
    41  H     11.758435  -14.138154   13.890368     6    36
    42  N     11.154775  -13.556262   11.126955     1    37    43    46
    43  CA    11.535119  -13.514378    9.738071     2    42    44    47    48
    44  C     10.340876  -13.885350    8.842240     3    43    45    49
    45  O      9.246798  -13.934329    9.364811     5    44
    46  HN    10.711315  -12.646090   11.512776     4    42
    47  H     11.850236  -12.404917    9.501832     6    43
    48  H     12.445424  -14.230009    9.646596     6    43
    49  N     10.656278  -14.249144    7.631590     1    44    50    53
    50  CA     9.783258  -14.808160    6.623265     2    49    51    54    55
    51  C     10.260214  -14.782753    5.148930     3    50    52    56
    52  O     11.154380  -13.984617    4.846484     5    51
    53  HN    11.576143  -14.237914    7.213158     4    49
    54  H      9.509682  -15.894910    7.002492     6    50
    55  H      8.851018  -14.249721    6.613941     6    50
    56  N      9.782085  -15.697716    4.304507     1    51    57    60
    57  CA    10.179978  -15.912314    2.936365     2    56    58    61    62
    58  C     10.942998  -17.212019    2.578214     3    57    59    63
    59  O     11.440907  -17.864189    3.551745     5    58
    60  HN     9.081843  -16.458814    4.571059     4    56
    61  H      9.237638  -15.793344    2.353984     6    57
    62  H     10.799720  -15.050660    2.490197     6    57
    63  N     11.094621  -17.445558    1.234794     1    58    64    67
    64  CA    11.913481  -18.576609    0.682465     2    63    65    68    69
    65  C     13.448602  -18.348835    1.021588     3    64    66    70
    66  O     13.937681  -17.180097    1.256259     5    65
    67  HN    10.658009  -16.708670    0.622947     4    63
    68  H     11.471052  -19.546478    0.981517     6    64
    69  H     11.869805  -18.589778   -0.456295     6    64
    70  N     14.144133  -19.499621    1.160461     1    65    71    74
    71  CA    15.495755  -19.713346    1.451161     2    70    72    75    76
    72  C     16.255971  -20.972046    0.958981     3    71    73    77
    73  O     17.488304  -21.150253    1.212236     5    72
    74  HN    13.684915  -20.392036    1.075987     4    70
    75  H     16.161959  -18.930889    0.964113     6    71
    76  H     15.670022  -19.588694    2.521613     6    71
    77  N     15.615861  -21.767594    0.093981     1    72    78    81
    78  CA    16.163663  -22.893082   -0.620250     2    77    79    82    83
    79  C     15.412864  -23.556329   -1.688508     3    78    80    84
    80  O     16.004094  -24.343354   -2.446548     5    79
    81  HN    14.745104  -21.443970   -0.269549     4    77
    82  H     17.032726  -22.496167   -1.181464     6    78
    83  H     16.614457  -23.586461    0.195434     6    78
    84  N     14.083023  -23.500179   -1.616846     1    79    85    88
    85  CA    13.195673  -24.203012   -2.542971     2    84    86    89    90
    86  C     11.696710  -23.947990   -2.235405     3    85    87    91
    87  O     11.238368  -22.802105   -2.364738     5    86
    88  HN    13.597954  -23.231877   -0.731786     4    84
    89  H     13.441130  -23.865380   -3.613449     6    85
    90  H     13.342618  -25.341076   -2.326056     6    85
    91  N     10.823549  -24.983030   -1.950881   230    86    92    93
    92  C      9.443888  -24.786337   -1.918395   232    91    94    95    96
    93  HN    11.246093  -25.937817   -1.777834   231    91
    94  H      8.962797  -24.938741   -2.881323   233    92
    95  H      9.171821  -23.790762   -1.579245   233    92
    96  H      8.964206  -25.420557   -1.168513   233    92
96 12_Glycine
     1  C    -12.414877  -10.894049  -13.837195   224     2     4     5     6
     2  C    -12.010724   -9.412932  -13.909395   226     1     3     7
     3  O    -12.131124   -8.732647  -12.882189   227     2
     4  H    -11.607278  -11.330770  -13.237443   225     1
     5  H    -12.463408  -11.308699  -14.885396   225     1
     6  H    -13.376278  -11.159563  -13.248384   225     1
     7  N    -11.653089   -8.916705  -15.119830     1     2     8    11
     8  CA   -11.224875   -7.521727  -15.372187     2     7     9    12    13
     9  C     -9.734213   -7.225580  -15.737281     3     8    10    14
    10  O     -9.395087   -6.062791  -16.072449     5     9
    11  HN   -11.595636   -9.474230  -15.926669     4     7
    12  H    -11.846122   -7.132901  -16.225068     6     8
    13  H    -11.564113   -6.924846  -14.474092     6     8
    14  N     -8.865885   -8.269809  -15.867452     1     9    15    18
    15  CA    -7.445461   -8.138396  -16.267228     2    14    16    19    20
    16  C     -6.505030   -7.938100  -15.055327     3    15    17    21
    17  O     -6.825729   -8.252067  -13.907925     5    16
    18  HN    -9.247432   -9.256861  -15.814328     4    14
    19  H     -7.254995   -9.147368  -16.621594     6    15
    20  H     -7.278045   -7.372125  -17.083767     6    15
    21  N     -5.226948   -7.569559  -15.329858     1    16    22    25
    22  CA    -4.314023   -7.120095  -14.212637     2    21    23    26    27
    23  C     -5.060014   -5.964611  -13.453536     3    22    24    28
    24  O     -6.056523   -5.373802  -13.910990     5    23
    25  HN    -4.833195   -7.673784  -16.266357     4    21
    26  H     -3.943094   -7.927054  -13.606550     6    22
    27  H     -3.466895   -6.633338  -14.707231     6    22
    28  N     -4.644839   -5.806398  -12.224031     1    23    29    32
    29  CA    -5.224222   -4.875140  -11.179081     2    28    30    33    34
    30  C     -4.504247   -3.482942  -11.229514     3    29    31    35
    31  O     -3.360874   -3.408512  -11.663846     5    30
    32  HN    -3.713759   -6.092103  -11.918331     4    28
    33  H     -6.351638   -4.931732  -11.121395     6    29
    34  H     -5.079423   -5.381005  -10.181304     6    29
    35  N     -5.233940   -2.409864  -10.805809     1    30    36    39
    36  CA    -4.805412   -1.001113  -10.618584     2    35    37    40    41
    37  C     -5.827290    0.170546  -10.766502     3    36    38    42
    38  O     -5.629142    1.287900  -10.203762     5    37
    39  HN    -6.245037   -2.475355  -10.540500     4    35
    40  H     -4.508708   -0.928460   -9.594305     6    36
    41  H     -3.902012   -0.825137  -11.203200     6    36
    42  N     -6.965016   -0.120441  -11.425587     1    37    43    46
    43  CA    -7.986344    0.869136  -11.545899     2    42    44    47    48
    44  C     -9.006155    0.743431  -10.384019     3    43    45    49
    45  O     -9.071386   -0.251398   -9.681674     5    44
    46  HN    -7.243191   -0.976753  -11.974820     4    42
    47  H     -7.496156    1.831736  -11.594301     6    43
    48  H     -8.458540    0.779418  -12.536560     6    43
    49  N     -9.874759    1.767157  -10.336797     1    44    50    53
    50  CA   -11.049417    1.937003   -9.550583     2    49    51    54    55
    51  C    -12.188509    0.939719  -10.039115     3    50    52    56
    52  O    -12.358377    0.676414  -11.217097     5    51
    53  HN    -9.891924    2.513306  -11.069711     4    49
    54  H    -10.763988    1.715829   -8.491065     6    50
    55  H    -11.381391    2.979653   -9.579616     6    50
    56  N    -13.101214    0.612015   -9.092973     1    51    57    60
    57  CA   -14.289731   -0.142104   -9.197546     2    56    58    61    62
    58  C    -14.756801   -0.822245   -7.858063     3    57    59    63
    59  O    -15.633490   -1.734228   -7.872117     5    58
    60  HN   -13.009308    1.006277   -8.177331     4    56
    61  H    -15.187987    0.452553   -9.445872     6    57
    62  H    -14.208733   -0.996578   -9.969233     6    57
    63  N    -14.258756   -0.444519   -6.673322     1    58    64    67
    64  CA   -14.637194   -0.800677   -5.266874     2    63    65    68    69
    65  C    -13.422544   -0.530032   -4.362899     3    64    66    70
    66  O    -12.249944   -0.648406   -4.734460     5    65
    67  HN   -13.423676    0.213017   -6.626565     4    63
    68  H    -15.611210   -0.212283   -4.992012     6    64
    69  H    -14.855793   -1.907596   -5.111191     6    64
    70  N    -13.729070   -0.058231   -3.126100     1    65    71    74
    71  CA   -12.824689    0.409014   -2.144794     2    70    72    75    76
    72  C    -12.442271   -0.573410   -1.046568     3    71    73    77
    73  O    -12.590666   -1.791023   -1.222927     5    72
    74  HN   -14.693995    0.215637   -2.967151     4    70
    75  H    -11.874529    0.873509   -2.672334     6    71
    76  H    -13.296470    1.313426   -1.559227     6    71
    77  N    -11.806309   -0.105673    0.055742     1    72    78    81
    78  CA   -11.452653   -0.819657    1.220462     2    77    79    82    83
    79  C    -12.673125   -1.146030    2.072633     3    78    80    84
    80  O    -13.759785   -1.462560    1.607937     5    79
    81  HN   -11.670500    0.881462    0.045473     4    77
    82  H    -11.034057   -1.797447    0.940414     6    78
    83  H    -10.735508   -0.370539    1.892831     6    78
    84  N    -12.364699   -1.274330    3.367190     1    79    85    88
    85  CA   -13.235852   -1.471333    4.506383     2    84    86    89    90
    86  C    -12.752848   -0.695406    5.744815     3    85    87    91
    87  O    -11.947465    0.243286    5.664720     5    86
    88  HN   -11.329031   -1.448526    3.637596     4    84
    89  H    -14.187765   -1.117757    4.200204     6    85
    90  H    -13.364610   -2.532013    4.701696     6    85
    91  N    -13.388200   -0.986140    6.867826   230    86    92    93
    92  C    -13.218894   -0.243950    8.163276   232    91    94    95    96
    93  HN   -14.187422   -1.644090    6.908902   231    91
    94  H    -12.585392   -0.871350    8.828521   233    92
    95  H    -14.235841   -0.139415    8.726623   233    92
    96  H    -12.844765    0.754916    7.946424   233    92
96 12_Glycine
     1  C     -0.333013  -10.381176   13.602677   224     2     4     5     6
     2  C     -0.116778  -11.447105   14.620041   226     1     3     7
     3  O     -0.373796  -11.280012   15.823236   227     2
     4  H     -1.099513  -10.790171   12.941602   225     1
     5  H      0.580114  -10.059436   13.017475   225     1
     6  H     -0.812924   -9.462180   14.043037   225     1
     7  N      0.451388  -12.538448   14.159980     1     2     8    11
     8  CA     0.558344  -13.733491   14.931205     2     7     9    12    13
     9  C      0.038921  -14.916979   14.121000     3     8    10    14
    10  O     -0.783168  -14.706878   13.193661     5     9
    11  HN     1.007782  -12.547169   13.283168     4     7
    12  H      1.659822  -13.895316   15.157867     6     8
    13  H     -0.108004  -13.786368   15.835261     6     8
    14  N      0.527544  -16.126087   14.322613     1     9    15    18
    15  CA     0.277138  -17.337674   13.573479     2    14    16    19    20
    16  C     -0.656514  -18.341808   14.272036     3    15    17    21
    17  O     -1.378208  -18.019430   15.216931     5    16
    18  HN     1.152612  -16.255398   15.158718     4    14
    19  H     -0.103320  -17.155256   12.565858     6    15
    20  H      1.248474  -17.877906   13.445314     6    15
    21  N     -0.692261  -19.606232   13.693310     1    16    22    25
    22  CA    -1.557118  -20.684428   14.027982     2    21    23    26    27
    23  C     -3.021995  -20.396726   13.654897     3    22    24    28
    24  O     -3.377536  -19.299735   13.216829     5    23
    25  HN     0.118587  -19.974717   13.182870     4    21
    26  H     -1.296947  -21.560861   13.349646     6    22
    27  H     -1.397555  -21.006001   15.103231     6    22
    28  N     -3.884482  -21.352184   13.984119     1    23    29    32
    29  CA    -5.357270  -21.269122   13.735681     2    28    30    33    34
    30  C     -5.664538  -21.958095   12.330219     3    29    31    35
    31  O     -4.827152  -22.702365   11.837665     5    30
    32  HN    -3.628134  -22.167320   14.561357     4    28
    33  H     -5.880955  -21.780884   14.597144     6    29
    34  H     -5.755064  -20.284014   13.639602     6    29
    35  N     -6.801711  -21.585169   11.678977     1    30    36    39
    36  CA    -7.214972  -21.989951   10.346188     2    35    37    40    41
    37  C     -8.136801  -23.108514   10.320605     3    36    38    42
    38  O     -7.989704  -24.002059   11.203862     5    37
    39  HN    -7.583941  -21.347351   12.291433     4    35
    40  H     -7.663293  -21.133497    9.872900     6    36
    41  H     -6.364092  -22.252514    9.765425     6    36
    42  N     -9.090124  -23.238498    9.323600     1    37    43    46
    43  CA   -10.032842  -24.281899    9.143693     2    42    44    47    48
    44  C    -11.136279  -24.034577   10.156952     3    43    45    49
    45  O    -11.132851  -23.162445   11.023693     5    44
    46  HN    -9.075035  -22.509877    8.566031     4    42
    47  H    -10.367184  -24.158809    8.059772     6    43
    48  H     -9.584829  -25.310723    9.293483     6    43
    49  N    -12.315461  -24.695304    9.880745     1    44    50    53
    50  CA   -13.608095  -24.365855   10.338268     2    49    51    54    55
    51  C    -14.553491  -23.996284    9.157207     3    50    52    56
    52  O    -14.147115  -23.513617    8.094601     5    51
    53  HN   -12.302061  -25.465902    9.237831     4    49
    54  H    -14.094924  -25.092568   10.996916     6    50
    55  H    -13.462066  -23.486523   10.999475     6    50
    56  N    -15.904255  -24.273348    9.366878     1    51    57    60
    57  CA   -16.992712  -24.082251    8.404277     2    56    58    61    62
    58  C    -18.358175  -23.555949    8.962532     3    57    59    63
    59  O    -19.193221  -23.106241    8.232094     5    58
    60  HN   -16.152462  -24.873447   10.207372     4    56
    61  H    -16.520572  -23.338332    7.576882     6    57
    62  H    -17.053064  -25.017549    7.831924     6    57
    63  N    -18.448706  -23.562382   10.307515     1    58    64    67
    64  CA   -19.543334  -22.976189   11.050416     2    63    65    68    69
    65  C    -19.353061  -21.503067   11.518294     3    64    66    70
    66  O    -18.860406  -20.632211   10.807743     5    65
    67  HN   -17.681674  -23.639769   10.945742     4    63
    68  H    -20.526745  -22.980194   10.369153     6    64
    69  H    -19.806952  -23.496132   11.991309     6    64
    70  N    -19.954321  -21.187207   12.712578     1    65    71    74
    71  CA   -19.856011  -19.983603   13.487533     2    70    72    75    76
    72  C    -20.373662  -18.702801   12.671302     3    71    73    77
    73  O    -20.926357  -18.716887   11.615816     5    72
    74  HN   -20.636030  -21.851937   13.139038     4    70
    75  H    -20.318634  -20.179043   14.403668     6    71
    76  H    -18.789241  -19.922465   13.765165     6    71
    77  N    -20.064436  -17.556380   13.317902     1    72    78    81
    78  CA   -20.357812  -16.208590   12.980503     2    77    79    82    83
    79  C    -21.711553  -15.605423   13.426803     3    78    80    84
    80  O    -22.314591  -14.704306   12.762075     5    79
    81  HN   -19.796744  -17.548346   14.323171     4    77
    82  H    -19.598741  -15.434093   13.310894     6    78
    83  H    -20.261799  -16.027618   11.916856     6    78
    84  N    -22.151862  -16.108710   14.590879     1    79    85    88
    85  CA   -23.376729  -15.631739   15.112168     2    84    86    89    90
    86  C    -23.021117  -14.304464   15.878516     3    85    87    91
    87  O    -21.873392  -13.798180   15.819679     5    86
    88  HN   -21.606433  -16.685758   15.296267     4    84
    89  H    -24.058401  -15.280673   14.310556     6    85
    90  H    -23.846469  -16.393447   15.791854     6    85
    91  N    -24.010758  -13.897544   16.702323   230    86    92    93
    92  C    -23.881967  -12.843693   17.704205   232    91    94    95    96
    93  HN   -24.893294  -14.433172   16.732563   231    91
    94  H    -23.632389  -13.315375   18.660934   233    92
    95  H    -24.852650  -12.310319   17.918960   233    92
    96  H    -22.987184  -12.160208   17.488016   233    92
96 12_Glycine
     1  C     -4.990498  -11.478211   15.297466   224     2     4     5     6
     2  C     -3.545832  -11.967836   15.083762   226     1     3     7
     3  O     -2.660183  -11.510847   15.768106   227     2
     4  H     -5.218836  -10.686534   14.507124   225     1
     5  H     -5.132927  -10.882653   16.186474   225     1
     6  H     -5.782142  -12.219929   15.315177   225     1
     7  N     -3.495804  -12.917808   14.113184     1     2     8    11
     8  CA    -2.334341  -13.747485   13.872107     2     7     9    12    13
     9  C     -2.553869  -15.221846   13.409545     3     8    10    14
    10  O     -1.597581  -15.851684   12.900868     5     9
    11  HN    -4.287558  -13.082373   13.487992     4     7
    12  H     -1.629966  -13.171700   13.129094     6     8
    13  H     -1.763842  -13.889445   14.840110     6     8
    14  N     -3.779816  -15.751341   13.476333     1     9    15    18
    15  CA    -4.209918  -17.021624   12.869969     2    14    16    19    20
    16  C     -5.074953  -17.879477   13.779060     3    15    17    21
    17  O     -4.779139  -17.910862   15.007830     5    16
    18  HN    -4.456287  -15.138202   14.078915     4    14
    19  H     -4.873595  -16.732982   11.997565     6    15
    20  H     -3.387927  -17.643355   12.539474     6    15
    21  N     -6.134541  -18.491467   13.290822     1    16    22    25
    22  CA    -7.025620  -19.444555   13.968201     2    21    23    26    27
    23  C     -8.310097  -19.595704   13.101491     3    22    24    28
    24  O     -8.966000  -18.645325   12.801310     5    23
    25  HN    -6.401562  -18.337725   12.255284     4    21
    26  H     -6.504577  -20.401343   14.114369     6    22
    27  H     -7.377086  -18.925219   14.886351     6    22
    28  N     -8.605076  -20.912981   12.923781     1    23    29    32
    29  CA    -9.704652  -21.404343   12.157699     2    28    30    33    34
    30  C     -9.359653  -21.691154   10.703237     3    29    31    35
    31  O     -8.378644  -21.236413   10.100676     5    30
    32  HN    -8.110761  -21.674259   13.440617     4    28
    33  H    -10.298803  -22.263147   12.594056     6    29
    34  H    -10.513184  -20.612358   12.108760     6    29
    35  N    -10.167978  -22.656700   10.132424     1    30    36    39
    36  CA   -10.188323  -22.982443    8.718067     2    35    37    40    41
    37  C    -11.590737  -23.527806    8.361926     3    36    38    42
    38  O    -12.651510  -22.997815    8.702275     5    37
    39  HN   -10.839317  -23.226777   10.600101     4    35
    40  H    -10.165183  -22.086226    8.094967     6    36
    41  H     -9.428928  -23.673171    8.399741     6    36
    42  N    -11.617131  -24.598685    7.556208     1    37    43    46
    43  CA   -12.751391  -25.271587    6.969191     2    42    44    47    48
    44  C    -13.485620  -24.308876    6.090429     3    43    45    49
    45  O    -12.951783  -23.486118    5.341285     5    44
    46  HN   -10.743653  -24.919323    7.215333     4    42
    47  H    -12.561976  -26.139510    6.285427     6    43
    48  H    -13.415941  -25.615860    7.781294     6    43
    49  N    -14.786855  -24.568724    5.867491     1    44    50    53
    50  CA   -15.681012  -23.839274    4.880939     2    49    51    54    55
    51  C    -17.109293  -24.222615    5.114172     3    50    52    56
    52  O    -17.373135  -25.446447    5.388514     5    51
    53  HN   -15.224194  -25.296604    6.402275     4    49
    54  H    -15.550488  -22.729954    4.966994     6    50
    55  H    -15.489260  -24.236181    3.905560     6    50
    56  N    -18.060615  -23.256729    4.867231     1    51    57    60
    57  CA   -19.517189  -23.532563    4.778315     2    56    58    61    62
    58  C    -20.454445  -22.357356    5.289308     3    57    59    63
    59  O    -21.707920  -22.572676    5.225935     5    58
    60  HN   -17.792943  -22.312751    4.433923     4    56
    61  H    -19.724485  -23.848480    3.717882     6    57
    62  H    -19.770062  -24.406611    5.401719     6    57
    63  N    -19.932413  -21.154457    5.686741     1    58    64    67
    64  CA   -20.611837  -20.027396    6.236222     2    63    65    68    69
    65  C    -19.700287  -19.142080    7.084473     3    64    66    70
    66  O    -18.595540  -19.493420    7.432593     5    65
    67  HN   -18.954553  -20.924917    5.623054     4    63
    68  H    -21.121444  -19.468242    5.439483     6    64
    69  H    -21.560980  -20.340178    6.796808     6    64
    70  N    -20.262942  -18.020853    7.505778     1    65    71    74
    71  CA   -19.603887  -17.052319    8.387586     2    70    72    75    76
    72  C    -18.809139  -16.081583    7.467193     3    71    73    77
    73  O    -19.058027  -16.061548    6.230273     5    72
    74  HN   -21.252483  -17.739432    7.320598     4    70
    75  H    -20.422280  -16.506237    8.941417     6    71
    76  H    -19.040165  -17.605370    9.196460     6    71
    77  N    -17.990543  -15.093870    8.104823     1    72    78    81
    78  CA   -17.275260  -14.197445    7.396527     2    77    79    82    83
    79  C    -17.975313  -12.969655    6.843182     3    78    80    84
    80  O    -17.376642  -12.330268    5.913032     5    79
    81  HN   -17.922639  -15.197360    9.180419     4    77
    82  H    -16.425550  -13.759686    7.933569     6    78
    83  H    -16.887524  -14.659822    6.471304     6    78
    84  N    -19.030203  -12.470059    7.473885     1    79    85    88
    85  CA   -19.657303  -11.232513    7.144248     2    84    86    89    90
    86  C    -20.477391  -10.616812    8.346572     3    85    87    91
    87  O    -20.005410  -10.561539    9.465283     5    86
    88  HN   -19.619645  -12.991371    8.161577     4    84
    89  H    -18.811367  -10.482294    6.807825     6    85
    90  H    -20.281299  -11.360453    6.259512     6    85
    91  N    -21.626643  -10.045022    7.972311   230    86    92    93
    92  C    -22.638642   -9.586072    8.896362   232    91    94    95    96
    93  HN   -21.881187   -9.822179    7.037595   231    91
    94  H    -22.292432   -9.145291    9.853288   233    92
    95  H    -23.294671  -10.449983    9.160854   233    92
    96  H    -23.273639   -8.849795    8.422503   233    92
96 12_Glycine
     1  C      2.423592   14.140967   17.815291   224     2     4     5     6
     2  C      1.132357   13.781932   17.046521   226     1     3     7
     3  O      0.539930   12.737708   17.349834   227     2
     4  H      3.142782   13.296202   17.775006   225     1
     5  H      2.176034   14.348259   18.872329   225     1
     6  H      2.953284   14.952816   17.260275   225     1
     7  N      0.611777   14.682470   16.159767     1     2     8    11
     8  CA    -0.709564   14.588497   15.556161     2     7     9    12    13
     9  C     -0.639149   15.091073   14.129521     3     8    10    14
    10  O      0.428073   15.218041   13.582592     5     9
    11  HN     1.226864   15.445406   15.798219     4     7
    12  H     -1.179023   13.600042   15.465431     6     8
    13  H     -1.431931   15.220783   16.215112     6     8
    14  N     -1.773569   15.340063   13.489870     1     9    15    18
    15  CA    -1.774929   15.718949   12.100787     2    14    16    19    20
    16  C     -1.547070   17.222465   11.844764     3    15    17    21
    17  O     -1.889339   18.030730   12.728521     5    16
    18  HN    -2.676342   15.324595   13.965140     4    14
    19  H     -1.003336   15.082546   11.529642     6    15
    20  H     -2.759814   15.404862   11.692372     6    15
    21  N     -1.073760   17.637391   10.644253     1    16    22    25
    22  CA    -0.974251   18.986805   10.179429     2    21    23    26    27
    23  C     -0.985357   18.977577    8.662836     3    22    24    28
    24  O     -1.857969   18.454143    7.958692     5    23
    25  HN    -0.735548   16.962704    9.969701     4    21
    26  H     -1.892364   19.636086   10.432892     6    22
    27  H     -0.070111   19.496751   10.673608     6    22
    28  N     -0.074332   19.759855    8.116392     1    23    29    32
    29  CA     0.095809   19.882522    6.651058     2    28    30    33    34
    30  C      0.926402   18.752038    6.109092     3    29    31    35
    31  O      0.969498   17.615324    6.677525     5    30
    32  HN     0.511778   20.479331    8.642048     4    28
    33  H     -0.909940   19.722951    6.170876     6    29
    34  H      0.444973   20.955845    6.395360     6    29
    35  N      1.742383   19.043065    5.126545     1    30    36    39
    36  CA     2.705020   18.138252    4.599756     2    35    37    40    41
    37  C      2.062405   17.077073    3.717176     3    36    38    42
    38  O      0.872128   17.131000    3.409720     5    37
    39  HN     1.528749   19.850493    4.536290     4    35
    40  H      3.388282   18.714073    3.935434     6    36
    41  H      3.291378   17.608876    5.418739     6    36
    42  N      2.864439   16.245102    3.059414     1    37    43    46
    43  CA     2.409942   15.334388    1.997951     2    42    44    47    48
    44  C      3.532722   14.236952    1.743965     3    43    45    49
    45  O      4.181085   13.803648    2.664102     5    44
    46  HN     3.857645   16.080916    3.316770     4    42
    47  H      1.468802   14.807927    2.326041     6    43
    48  H      2.356441   15.916353    1.064016     6    43
    49  N      3.501994   13.770808    0.517640     1    44    50    53
    50  CA     4.224749   12.679793   -0.046493     2    49    51    54    55
    51  C      3.383201   11.373330   -0.048688     3    50    52    56
    52  O      2.337141   11.274363    0.605825     5    51
    53  HN     2.981686   14.198694   -0.273714     4    49
    54  H      4.249444   12.895816   -1.089037     6    50
    55  H      5.183804   12.501444    0.404224     6    50
    56  N      3.994163   10.278474   -0.485825     1    51    57    60
    57  CA     3.300199    9.147384   -0.928979     2    56    58    61    62
    58  C      2.540790    9.362271   -2.305100     3    57    59    63
    59  O      2.407019   10.456854   -2.825372     5    58
    60  HN     4.933102   10.403860   -0.778352     4    56
    61  H      3.952158    8.297771   -0.897682     6    57
    62  H      2.459380    8.960937   -0.121996     6    57
    63  N      2.109393    8.217045   -2.899136     1    58    64    67
    64  CA     1.441173    8.225611   -4.185886     2    63    65    68    69
    65  C      0.457843    7.087820   -4.429163     3    64    66    70
    66  O     -0.363864    7.267509   -5.346159     5    65
    67  HN     2.490864    7.348637   -2.600329     4    63
    68  H      0.844960    9.145861   -4.283301     6    64
    69  H      2.139717    8.137921   -5.031065     6    64
    70  N      0.476573    6.069603   -3.605442     1    65    71    74
    71  CA    -0.565959    5.010343   -3.628367     2    70    72    75    76
    72  C     -1.131897    4.669945   -2.260773     3    71    73    77
    73  O     -1.012267    5.447836   -1.321129     5    72
    74  HN     1.218718    5.832272   -2.932075     4    70
    75  H     -1.472650    5.336039   -4.229272     6    71
    76  H     -0.207857    4.051695   -4.053595     6    71
    77  N     -1.724935    3.483359   -2.178774     1    72    78    81
    78  CA    -2.430242    3.034796   -1.055324     2    77    79    82    83
    79  C     -3.617069    3.874019   -0.632879     3    78    80    84
    80  O     -4.131435    4.617829   -1.455131     5    79
    81  HN    -1.577954    2.827126   -2.872382     4    77
    82  H     -2.933785    2.079903   -1.344833     6    78
    83  H     -1.726317    2.827445   -0.152358     6    78
    84  N     -4.121850    3.709814    0.563777     1    79    85    88
    85  CA    -5.085028    4.576732    1.144961     2    84    86    89    90
    86  C     -5.772772    3.960621    2.361494     3    85    87    91
    87  O     -6.056284    4.663185    3.333949     5    86
    88  HN    -3.793836    2.932256    1.165796     4    84
    89  H     -4.596891    5.546035    1.380086     6    85
    90  H     -6.014103    4.874435    0.545912     6    85
    91  N     -6.136567    2.623117    2.235147   230    86    92    93
    92  C     -6.747050    1.766891    3.215662   232    91    94    95    96
    93  HN    -6.217768    2.134054    1.336208   231    91
    94  H     -7.253122    0.979145    2.638709   233    92
    95  H     -7.532241    2.333693    3.712349   233    92
    96  H     -6.007205    1.334404    4.028202   233    92
96 12_Glycine
     1  C     -5.887959  -10.938662   -6.904591   224     2     4     5     6
     2  C     -4.827844  -11.188559   -5.760257   226     1     3     7
     3  O     -5.223568  -11.294260   -4.565648   227     2
     4  H     -5.612041  -10.188554   -7.607631   225     1
     5  H     -6.833928  -10.620526   -6.484313   225     1
     6  H     -6.061696  -11.928096   -7.423115   225     1
     7  N     -3.524247  -11.428016   -6.110440     1     2     8    11
     8  CA    -2.496177  -11.872542   -5.235388     2     7     9    12    13
     9  C     -1.140477  -11.250795   -5.415275     3     8    10    14
    10  O     -0.146936  -11.732933   -4.919730     5     9
    11  HN    -3.364821  -11.358347   -7.128651     4     7
    12  H     -2.813576  -11.825963   -4.153621     6     8
    13  H     -2.386268  -12.951990   -5.420475     6     8
    14  N     -1.075343  -10.035093   -5.920221     1     9    15    18
    15  CA     0.153902   -9.174087   -6.006443     2    14    16    19    20
    16  C     -0.247441   -7.704849   -6.120229     3    15    17    21
    17  O     -1.438915   -7.356274   -6.132715     5    16
    18  HN    -1.917930   -9.478037   -6.092631     4    14
    19  H      0.859459   -9.264303   -5.122931     6    15
    20  H      0.784556   -9.414120   -6.956091     6    15
    21  N      0.795957   -6.833042   -6.369167     1    16    22    25
    22  CA     0.672255   -5.415748   -6.541202     2    21    23    26    27
    23  C      0.032483   -5.023881   -7.916152     3    22    24    28
    24  O      0.432709   -5.553365   -8.938405     5    23
    25  HN     1.771411   -7.191996   -6.553047     4    21
    26  H     -0.013816   -5.007077   -5.735360     6    22
    27  H      1.609522   -4.893522   -6.362436     6    22
    28  N     -0.950166   -4.035556   -7.894221     1    23    29    32
    29  CA    -1.726552   -3.570059   -9.056705     2    28    30    33    34
    30  C     -2.178309   -2.059364   -8.871839     3    29    31    35
    31  O     -3.074816   -1.591288   -9.563823     5    30
    32  HN    -1.321741   -3.860595   -6.910188     4    28
    33  H     -1.159499   -3.809686   -9.983020     6    29
    34  H     -2.717317   -4.210474   -9.068398     6    29
    35  N     -1.593103   -1.383618   -7.849200     1    30    36    39
    36  CA    -2.061381   -0.131551   -7.356510     2    35    37    40    41
    37  C     -2.912300   -0.450977   -6.157669     3    36    38    42
    38  O     -4.066927   -0.838448   -6.289706     5    37
    39  HN    -0.833348   -1.748871   -7.190418     4    35
    40  H     -1.385982    0.680088   -7.064927     6    36
    41  H     -2.719721    0.329805   -8.121330     6    36
    42  N     -2.357073   -0.291083   -4.975093     1    37    43    46
    43  CA    -3.004179   -0.424701   -3.667937     2    42    44    47    48
    44  C     -2.050494   -0.297054   -2.519803     3    43    45    49
    45  O     -1.167931   -1.184787   -2.428788     5    44
    46  HN    -1.326487   -0.194490   -4.859686     4    42
    47  H     -3.940786    0.183023   -3.610697     6    43
    48  H     -3.404762   -1.451029   -3.647311     6    43
    49  N     -2.195030    0.807772   -1.834781     1    44    50    53
    50  CA    -1.211544    1.270789   -0.878612     2    49    51    54    55
    51  C     -1.660585    0.617278    0.443897     3    50    52    56
    52  O     -2.115719   -0.534264    0.448677     5    51
    53  HN    -3.009624    1.428069   -1.919408     4    49
    54  H     -0.189371    0.965510   -1.196519     6    50
    55  H     -1.235964    2.372232   -0.739028     6    50
    56  N     -1.395185    1.198718    1.649250     1    51    57    60
    57  CA    -1.602369    0.667917    2.952228     2    56    58    61    62
    58  C     -0.470435   -0.260183    3.539818     3    57    59    63
    59  O     -0.628847   -0.802445    4.645001     5    58
    60  HN    -1.052056    2.208773    1.698763     4    56
    61  H     -1.645650    1.479680    3.615044     6    57
    62  H     -2.511211    0.036184    3.004307     6    57
    63  N      0.680614   -0.444952    2.822452     1    58    64    67
    64  CA     1.796105   -1.263615    3.283549     2    63    65    68    69
    65  C      2.592928   -0.741893    4.471534     3    64    66    70
    66  O      2.299397    0.325118    4.942739     5    65
    67  HN     0.922845    0.137617    1.928688     4    63
    68  H      1.392521   -2.292849    3.482939     6    64
    69  H      2.509553   -1.337089    2.426057     6    64
    70  N      3.686474   -1.439121    4.871933     1    65    71    74
    71  CA     4.703744   -0.936120    5.740801     2    70    72    75    76
    72  C      5.801215   -1.933235    6.198280     3    71    73    77
    73  O      6.939423   -1.841486    5.778866     5    72
    74  HN     3.898781   -2.427546    4.593474     4    70
    75  H      5.332613   -0.114250    5.285109     6    71
    76  H      4.238161   -0.434465    6.607311     6    71
    77  N      5.419327   -2.868710    7.065270     1    72    78    81
    78  CA     6.266504   -3.845971    7.686409     2    77    79    82    83
    79  C      6.833397   -4.867572    6.696430     3    78    80    84
    80  O      6.031247   -5.557220    6.025678     5    79
    81  HN     4.438094   -3.048112    7.249382     4    77
    82  H      7.042975   -3.372750    8.241846     6    78
    83  H      5.693741   -4.402834    8.416208     6    78
    84  N      8.187975   -4.944524    6.626490     1    79    85    88
    85  CA     9.090789   -5.807147    5.883498     2    84    86    89    90
    86  C      9.689556   -6.849354    6.872357     3    85    87    91
    87  O      8.997083   -7.345963    7.755453     5    86
    88  HN     8.755601   -4.214256    7.094887     4    84
    89  H      8.536882   -6.419446    5.123367     6    85
    90  H      9.880153   -5.186293    5.469256     6    85
    91  N     10.973570   -7.214648    6.671673   230    86    92    93
    92  C     11.436996   -8.362673    7.398791   232    91    94    95    96
    93  HN    11.659641   -6.589440    6.258217   231    91
    94  H     11.557495   -8.155703    8.495705   233    92
    95  H     12.401973   -8.763741    7.035925   233    92
    96  H     10.723664   -9.216390    7.152685   233    92
96 12_Glycine
     1  C    -12.581223  -10.294363   15.794791   224     2     4     5     6
     2  C    -11.250456   -9.852846   16.418748   226     1     3     7
     3  O    -10.796767  -10.236852   17.524247   227     2
     4  H    -12.264691  -10.440052   14.788608   225     1
     5  H    -13.338038   -9.456516   15.952684   225     1
     6  H    -13.002923  -11.202130   16.260846   225     1
     7  N    -10.562748   -8.918561   15.629877     1     2     8    11
     8  CA    -9.422652   -8.180091   16.042445     2     7     9    12    13
     9  C     -9.627801   -6.748547   16.488833     3     8    10    14
    10  O    -10.746019   -6.175922   16.486716     5     9
    11  HN   -11.027556   -8.515249   14.791354     4     7
    12  H     -8.848880   -8.680611   16.846766     6     8
    13  H     -8.725839   -8.145019   15.173302     6     8
    14  N     -8.525793   -5.997486   16.641875     1     9    15    18
    15  CA    -8.476013   -4.610057   17.028338     2    14    16    19    20
    16  C     -7.375075   -3.711860   16.505710     3    15    17    21
    17  O     -6.907842   -2.765073   17.046785     5    16
    18  HN    -7.572932   -6.358615   16.515534     4    14
    19  H     -9.386023   -4.064121   16.684381     6    15
    20  H     -8.454024   -4.549019   18.201400     6    15
    21  N     -6.860523   -4.092800   15.309361     1    16    22    25
    22  CA    -5.882692   -3.244146   14.545280     2    21    23    26    27
    23  C     -4.451648   -3.307986   15.130400     3    22    24    28
    24  O     -3.909295   -4.396746   15.387026     5    23
    25  HN    -6.902132   -5.043066   14.883685     4    21
    26  H     -5.640592   -3.634414   13.533948     6    22
    27  H     -6.292995   -2.223149   14.407902     6    22
    28  N     -3.760055   -2.128933   15.192880     1    23    29    32
    29  CA    -2.432806   -1.871481   15.551961     2    28    30    33    34
    30  C     -2.311508   -0.559081   16.338262     3    29    31    35
    31  O     -3.111593   -0.331041   17.264336     5    30
    32  HN    -4.233835   -1.216716   15.192550     4    28
    33  H     -1.914955   -2.677260   16.192606     6    29
    34  H     -1.774268   -1.711401   14.704696     6    29
    35  N     -1.312011    0.324654   16.098082     1    30    36    39
    36  CA    -1.154653    1.642819   16.690600     2    35    37    40    41
    37  C     -2.288451    2.592686   16.600412     3    36    38    42
    38  O     -2.762110    3.250256   17.545059     5    37
    39  HN    -0.609311    0.110859   15.409377     4    35
    40  H     -0.917741    1.529528   17.752443     6    36
    41  H     -0.300349    2.121997   16.168674     6    36
    42  N     -2.776547    2.649013   15.363241     1    37    43    46
    43  CA    -3.809029    3.477188   14.886607     2    42    44    47    48
    44  C     -3.444494    4.706291   14.052929     3    43    45    49
    45  O     -2.312457    4.872861   13.594634     5    44
    46  HN    -2.296842    2.115716   14.588653     4    42
    47  H     -4.405292    2.865214   14.218571     6    43
    48  H     -4.495865    3.770506   15.745778     6    43
    49  N     -4.510026    5.511735   13.713544     1    44    50    53
    50  CA    -4.276166    6.560713   12.792887     2    49    51    54    55
    51  C     -5.600125    7.088783   12.359566     3    50    52    56
    52  O     -6.598578    6.370262   12.155753     5    51
    53  HN    -5.418614    5.229092   13.987730     4    49
    54  H     -3.609677    7.328704   13.219279     6    50
    55  H     -3.701551    6.211126   11.899574     6    50
    56  N     -5.786800    8.400124   12.453497     1    51    57    60
    57  CA    -6.937908    9.170618   12.282225     2    56    58    61    62
    58  C     -7.598997    9.092807   10.881789     3    57    59    63
    59  O     -8.816792    9.205231   10.748370     5    58
    60  HN    -4.981067    9.010059   12.687751     4    56
    61  H     -7.712196    8.844631   13.061687     6    57
    62  H     -6.778019   10.244769   12.602343     6    57
    63  N     -6.724754    9.096586    9.899015     1    58    64    67
    64  CA    -6.993044    9.050060    8.515602     2    63    65    68    69
    65  C     -7.394098    7.631960    8.007058     3    64    66    70
    66  O     -7.891946    7.473709    6.863889     5    65
    67  HN    -5.711648    9.024320   10.108607     4    63
    68  H     -7.634119    9.920275    8.169336     6    64
    69  H     -6.036049    9.218437    7.977533     6    64
    70  N     -7.230155    6.601410    8.852723     1    65    71    74
    71  CA    -7.402608    5.253438    8.432261     2    70    72    75    76
    72  C     -6.219582    4.833779    7.602001     3    71    73    77
    73  O     -5.412275    5.561903    7.133432     5    72
    74  HN    -6.844707    6.711604    9.795955     4    70
    75  H     -7.509640    4.610434    9.393175     6    71
    76  H     -8.357966    5.321690    7.886268     6    71
    77  N     -6.108970    3.493823    7.385966     1    72    78    81
    78  CA    -5.134192    2.888393    6.414100     2    77    79    82    83
    79  C     -3.736925    2.868001    6.981290     3    78    80    84
    80  O     -3.551414    3.050117    8.181493     5    79
    81  HN    -6.791995    2.833106    7.716006     4    77
    82  H     -5.460325    1.870281    6.062711     6    78
    83  H     -5.160752    3.353832    5.392963     6    78
    84  N     -2.773370    2.550170    6.102682     1    79    85    88
    85  CA    -1.384568    2.340361    6.444065     2    84    86    89    90
    86  C     -0.674520    3.677911    6.647091     3    85    87    91
    87  O     -1.209571    4.774440    6.304918     5    86
    88  HN    -3.057751    2.139117    5.231286     4    84
    89  H     -1.220455    1.601318    7.306158     6    85
    90  H     -0.835494    1.806610    5.553884     6    85
    91  N      0.510460    3.565528    7.255509   230    86    92    93
    92  C      1.338471    4.703449    7.648280   232    91    94    95    96
    93  HN     0.980629    2.613434    7.458170   231    91
    94  H      1.527052    5.532433    6.872424   233    92
    95  H      2.394886    4.315328    7.914443   233    92
    96  H      0.998091    5.223024    8.524405   233    92
96 12_Glycine
     1  C    -21.614622  -15.318549   -2.519842   224     2     4     5     6
     2  C    -21.673083  -16.858792   -3.088320   226     1     3     7
     3  O    -22.332958  -17.107044   -4.103213   227     2
     4  H    -21.045793  -15.264335   -1.603215   225     1
     5  H    -22.640225  -14.909996   -2.348104   225     1
     6  H    -21.133843  -14.748968   -3.318717   225     1
     7  N    -20.928203  -17.748737   -2.397514     1     2     8    11
     8  CA   -20.781096  -19.180364   -2.679963     2     7     9    12    13
     9  C    -19.416947  -19.503096   -3.330335     3     8    10    14
    10  O    -19.212635  -18.983758   -4.468119     5     9
    11  HN   -20.191717  -17.353486   -1.709584     4     7
    12  H    -20.874785  -19.726828   -1.714976     6     8
    13  H    -21.615417  -19.592975   -3.333255     6     8
    14  N    -18.538834  -20.342132   -2.666987     1     9    15    18
    15  CA   -17.279881  -20.781353   -3.313942     2    14    16    19    20
    16  C    -16.179110  -21.370716   -2.398868     3    15    17    21
    17  O    -15.227108  -21.984267   -2.828482     5    16
    18  HN   -18.861106  -20.660856   -1.773659     4    14
    19  H    -17.475878  -21.329552   -4.295669     6    15
    20  H    -16.718336  -19.820754   -3.540052     6    15
    21  N    -16.436381  -21.327430   -1.067247     1    16    22    25
    22  CA   -15.629932  -21.963915   -0.032982     2    21    23    26    27
    23  C    -15.885094  -21.562116    1.432723     3    22    24    28
    24  O    -15.684188  -22.383391    2.286538     5    23
    25  HN   -17.320611  -21.038018   -0.659852     4    21
    26  H    -15.743878  -23.075775   -0.038813     6    22
    27  H    -14.513362  -21.623573   -0.267943     6    22
    28  N    -16.197842  -20.265267    1.685271     1    23    29    32
    29  CA   -16.476431  -19.734401    2.970061     2    28    30    33    34
    30  C    -17.111340  -18.359999    2.963649     3    29    31    35
    31  O    -18.334831  -18.205639    3.153517     5    30
    32  HN   -16.092887  -19.615142    0.905838     4    28
    33  H    -17.198218  -20.368129    3.465421     6    29
    34  H    -15.531291  -19.818889    3.557146     6    29
    35  N    -16.313494  -17.336607    2.570198     1    30    36    39
    36  CA   -16.736160  -15.936371    2.402747     2    35    37    40    41
    37  C    -16.265252  -15.058809    3.645671     3    36    38    42
    38  O    -15.640765  -15.569466    4.611410     5    37
    39  HN   -15.353525  -17.468960    2.388087     4    35
    40  H    -16.272571  -15.565480    1.519829     6    36
    41  H    -17.821965  -15.887019    2.306018     6    36
    42  N    -16.413179  -13.713021    3.492458     1    37    43    46
    43  CA   -15.802640  -12.663414    4.219735     2    42    44    47    48
    44  C    -16.484214  -11.267008    4.209960     3    43    45    49
    45  O    -15.940447  -10.262278    4.768093     5    44
    46  HN   -16.831152  -13.293638    2.611363     4    42
    47  H    -15.619611  -12.941726    5.243710     6    43
    48  H    -14.745325  -12.599662    3.907177     6    43
    49  N    -17.740302  -11.199934    3.693403     1    44    50    53
    50  CA   -18.558032   -9.990215    3.669642     2    49    51    54    55
    51  C    -19.739485  -10.205623    4.577841     3    50    52    56
    52  O    -20.022835  -11.291899    5.060127     5    51
    53  HN   -18.232437  -12.066595    3.335447     4    49
    54  H    -18.036250   -9.036973    3.902001     6    50
    55  H    -18.919833   -9.893058    2.653027     6    50
    56  N    -20.613481   -9.110581    4.709094     1    51    57    60
    57  CA   -21.897195   -9.169762    5.392252     2    56    58    61    62
    58  C    -21.877369   -8.938441    6.882902     3    57    59    63
    59  O    -22.804167   -9.334806    7.591530     5    58
    60  HN   -20.509046   -8.180034    4.304910     4    56
    61  H    -22.550947   -8.472224    4.872807     6    57
    62  H    -22.301019  -10.189582    5.308766     6    57
    63  N    -20.786494   -8.301044    7.355552     1    58    64    67
    64  CA   -20.336286   -8.028252    8.756805     2    63    65    68    69
    65  C    -19.433670   -6.809851    8.794004     3    64    66    70
    66  O    -19.531380   -5.959997    7.916228     5    65
    67  HN   -20.086084   -7.890428    6.770218     4    63
    68  H    -21.262887   -7.810660    9.335210     6    64
    69  H    -19.771432   -8.871719    9.327751     6    64
    70  N    -18.581150   -6.643040    9.854432     1    65    71    74
    71  CA   -17.715461   -5.507825   10.048211     2    70    72    75    76
    72  C    -16.345982   -5.619413    9.349280     3    71    73    77
    73  O    -16.195867   -6.436285    8.413258     5    72
    74  HN   -18.443880   -7.409160   10.582230     4    70
    75  H    -18.175481   -4.534631    9.774348     6    71
    76  H    -17.694899   -5.448959   11.181678     6    71
    77  N    -15.369939   -4.783695    9.840720     1    72    78    81
    78  CA   -14.086982   -4.708749    9.113276     2    77    79    82    83
    79  C    -14.264402   -3.619594    8.032228     3    78    80    84
    80  O    -15.298407   -3.023506    7.734997     5    79
    81  HN   -15.581575   -4.041982   10.538229     4    77
    82  H    -13.209274   -4.369196    9.780936     6    78
    83  H    -13.746615   -5.753551    8.687800     6    78
    84  N    -13.113152   -3.406859    7.328344     1    79    85    88
    85  CA   -13.031060   -2.525027    6.184928     2    84    86    89    90
    86  C    -12.005433   -2.839156    5.137935     3    85    87    91
    87  O    -11.245975   -3.765584    5.309424     5    86
    88  HN   -12.174327   -3.746489    7.616468     4    84
    89  H    -14.046523   -2.537617    5.766278     6    85
    90  H    -13.038464   -1.429806    6.589587     6    85
    91  N    -12.062453   -2.064653    4.041444   230    86    92    93
    92  C    -11.192176   -2.256991    2.952735   232    91    94    95    96
    93  HN   -12.676113   -1.291416    3.845732   231    91
    94  H    -11.205673   -3.316484    2.748747   233    92
    95  H    -10.161764   -1.908480    3.172876   233    92
    96  H    -11.624200   -1.816763    2.008689   233    92
96 12_Glycine
     1  C     13.712670   11.029256   -6.110830   224     2     4     5     6
     2  C     12.927576   11.188268   -4.803671   226     1     3     7
     3  O     11.702234   11.390105   -4.896016   227     2
     4  H     14.869854   10.929724   -5.969531   225     1
     5  H     13.641137   11.834653   -6.835087   225     1
     6  H     13.361252   10.188048   -6.733517   225     1
     7  N     13.623101   11.209669   -3.725231     1     2     8    11
     8  CA    13.264296   11.329577   -2.310486     2     7     9    12    13
     9  C     14.113552   10.567126   -1.292681     3     8    10    14
    10  O     14.008153   10.798460   -0.066832     5     9
    11  HN    14.665438   11.152599   -3.765105     4     7
    12  H     13.319525   12.423111   -1.981850     6     8
    13  H     12.170108   10.990362   -2.188793     6     8
    14  N     14.978476    9.628624   -1.777982     1     9    15    18
    15  CA    15.849980    8.871308   -0.856586     2    14    16    19    20
    16  C     15.131452    7.725277   -0.140540     3    15    17    21
    17  O     13.925966    7.524182   -0.236495     5    16
    18  HN    14.880574    9.077710   -2.649860     4    14
    19  H     16.733061    8.412509   -1.500113     6    15
    20  H     16.256494    9.645567   -0.108329     6    15
    21  N     15.904458    6.924915    0.588501     1    16    22    25
    22  CA    15.565041    5.657966    1.245156     2    21    23    26    27
    23  C     15.849182    4.323465    0.489961     3    22    24    28
    24  O     17.003580    4.047166    0.151181     5    23
    25  HN    16.847465    7.344933    0.833519     4    21
    26  H     15.958718    5.656073    2.263840     6    22
    27  H     14.504279    5.713022    1.450823     6    22
    28  N     14.837557    3.438829    0.351588     1    23    29    32
    29  CA    15.026659    2.145093   -0.316802     2    28    30    33    34
    30  C     14.529469    2.349658   -1.752458     3    29    31    35
    31  O     15.004485    3.405799   -2.298138     5    30
    32  HN    13.875003    3.758704    0.432207     4    28
    33  H     16.121347    1.794663   -0.362688     6    29
    34  H     14.422171    1.334723    0.302659     6    29
    35  N     13.806862    1.443004   -2.409583     1    30    36    39
    36  CA    13.398672    1.544245   -3.782325     2    35    37    40    41
    37  C     11.934092    1.638814   -4.279068     3    36    38    42
    38  O     11.714921    1.585254   -5.506698     5    37
    39  HN    13.439593    0.564972   -1.975647     4    35
    40  H     13.755019    2.517600   -4.217686     6    36
    41  H     13.851192    0.641013   -4.254797     6    36
    42  N     11.033700    1.747805   -3.313909     1    37    43    46
    43  CA     9.573463    1.783970   -3.506052     2    42    44    47    48
    44  C      9.121141    2.942557   -4.460567     3    43    45    49
    45  O      9.530244    4.093786   -4.296911     5    44
    46  HN    11.366956    1.622586   -2.363578     4    42
    47  H      9.320219    0.786227   -3.933876     6    43
    48  H      9.154080    1.813964   -2.494184     6    43
    49  N      8.322497    2.564057   -5.501508     1    44    50    53
    50  CA     7.737126    3.516800   -6.362310     2    49    51    54    55
    51  C      7.981986    3.224054   -7.926030     3    50    52    56
    52  O      7.812816    4.054521   -8.842706     5    51
    53  HN     8.045867    1.518753   -5.631458     4    49
    54  H      6.757166    3.576380   -6.022270     6    50
    55  H      8.204898    4.499625   -6.323535     6    50
    56  N      8.436771    1.978588   -8.246038     1    51    57    60
    57  CA     8.638521    1.398048   -9.596582     2    56    58    61    62
    58  C     10.007834    0.776036   -9.794979     3    57    59    63
    59  O     10.989447    1.036713   -9.031099     5    58
    60  HN     8.734848    1.297754   -7.469061     4    56
    61  H      7.765423    0.669053   -9.801708     6    57
    62  H      8.491252    2.197133  -10.347104     6    57
    63  N     10.149168   -0.035320  -10.827479     1    58    64    67
    64  CA    11.368176   -0.749741  -11.226416     2    63    65    68    69
    65  C     11.662713   -1.874983  -10.278414     3    64    66    70
    66  O     10.701356   -2.455117   -9.686384     5    65
    67  HN     9.377960   -0.221959  -11.467947     4    63
    68  H     11.419640   -1.138184  -12.258510     6    64
    69  H     12.298953   -0.084442  -11.214511     6    64
    70  N     12.994576   -2.236088  -10.157713     1    65    71    74
    71  CA    13.450188   -3.309275   -9.357619     2    70    72    75    76
    72  C     14.859936   -3.262599   -8.715301     3    71    73    77
    73  O     15.171451   -4.252125   -8.019513     5    72
    74  HN    13.729588   -1.715770  -10.737824     4    70
    75  H     12.678924   -3.379125   -8.575793     6    71
    76  H     13.365357   -4.237583   -9.981768     6    71
    77  N     15.616010   -2.180841   -8.769928     1    72    78    81
    78  CA    16.921594   -2.083948   -8.119893     2    77    79    82    83
    79  C     17.762303   -1.084079   -8.846168     3    78    80    84
    80  O     17.427404   -0.708792   -9.936728     5    79
    81  HN    15.112490   -1.367903   -9.147948     4    77
    82  H     16.790286   -1.948857   -7.013147     6    78
    83  H     17.421650   -3.084158   -8.189420     6    78
    84  N     18.753015   -0.652890   -8.163437     1    79    85    88
    85  CA    19.726771    0.325650   -8.498460     2    84    86    89    90
    86  C     20.783978   -0.352636   -9.528301     3    85    87    91
    87  O     20.367752   -1.309126  -10.232221     5    86
    88  HN    19.125732   -1.212659   -7.345428     4    84
    89  H     19.353128    1.211528   -9.041543     6    85
    90  H     20.163856    0.626773   -7.558357     6    85
    91  N     22.062758    0.167328   -9.621109   230    86    92    93
    92  C     23.022649   -0.348340  -10.553795   232    91    94    95    96
    93  HN    22.289629    0.952515   -9.001348   231    91
    94  H     23.363401   -1.383351  -10.400980   233    92
    95  H     23.826202    0.379589  -10.608749   233    92
    96  H     22.447507   -0.352026  -11.534668   233    92
96 12_Glycine
     1  C      8.564469   13.338443   -5.799967   224     2     4     5     6
     2  C      9.072978   12.429162   -6.917988   226     1     3     7
     3  O      8.935544   12.706590   -8.091222   227     2
     4  H      7.457834   13.249306   -5.657182   225     1
     5  H      8.990191   14.398698   -6.019828   225     1
     6  H      8.890067   13.051106   -4.776398   225     1
     7  N      9.744680   11.322711   -6.580567     1     2     8    11
     8  CA    10.102528   10.303334   -7.471256     2     7     9    12    13
     9  C     11.401910    9.666275   -6.986917     3     8    10    14
    10  O     12.340649   10.377774   -6.530867     5     9
    11  HN     9.638602   10.897482   -5.618608     4     7
    12  H      9.374615    9.503648   -7.288737     6     8
    13  H     10.285074   10.675140   -8.528758     6     8
    14  N     11.452687    8.335061   -6.979907     1     9    15    18
    15  CA    12.527417    7.542131   -6.532981     2    14    16    19    20
    16  C     12.623109    7.512430   -5.010758     3    15    17    21
    17  O     11.672185    7.478128   -4.231694     5    16
    18  HN    10.559089    7.838565   -7.112532     4    14
    19  H     12.464839    6.480142   -6.902096     6    15
    20  H     13.525740    7.914768   -6.992495     6    15
    21  N     13.916424    7.449926   -4.574019     1    16    22    25
    22  CA    14.315990    7.376209   -3.193448     2    21    23    26    27
    23  C     13.956751    5.976035   -2.548873     3    22    24    28
    24  O     14.815249    5.116264   -2.598666     5    23
    25  HN    14.694740    7.322637   -5.229876     4    21
    26  H     15.435468    7.685234   -3.106502     6    22
    27  H     13.882932    8.234141   -2.678380     6    22
    28  N     12.791084    5.823151   -1.856753     1    23    29    32
    29  CA    12.309280    4.632087   -1.227710     2    28    30    33    34
    30  C     12.269286    3.515938   -2.209603     3    29    31    35
    31  O     12.442998    3.605333   -3.440029     5    30
    32  HN    12.083525    6.556460   -1.775796     4    28
    33  H     12.996612    4.334960   -0.387666     6    29
    34  H     11.268323    4.760672   -0.806491     6    29
    35  N     12.012141    2.295648   -1.596501     1    30    36    39
    36  CA    11.881276    1.068473   -2.333063     2    35    37    40    41
    37  C     10.528217    0.626215   -2.864544     3    36    38    42
    38  O     10.530648   -0.234749   -3.770174     5    37
    39  HN    11.934479    2.081686   -0.601296     4    35
    40  H     12.478177    1.157116   -3.326426     6    36
    41  H     12.308915    0.201745   -1.725039     6    36
    42  N      9.424336    0.960298   -2.212307     1    37    43    46
    43  CA     8.117954    0.409157   -2.530516     2    42    44    47    48
    44  C      7.519289    1.239540   -3.646148     3    43    45    49
    45  O      6.948720    2.353678   -3.497196     5    44
    46  HN     9.384066    1.476681   -1.313023     4    42
    47  H      8.270560   -0.636584   -2.851287     6    43
    48  H      7.394421    0.473439   -1.646706     6    43
    49  N      7.614471    0.766237   -4.921333     1    44    50    53
    50  CA     7.154039    1.409340   -6.173020     2    49    51    54    55
    51  C      6.668414    0.509122   -7.313992     3    50    52    56
    52  O      6.829084    0.854851   -8.535387     5    51
    53  HN     8.417245    0.161534   -5.078166     4    49
    54  H      6.281809    2.026839   -5.861454     6    50
    55  H      7.968616    2.088663   -6.518906     6    50
    56  N      6.311714   -0.817753   -6.937782     1    51    57    60
    57  CA     6.033805   -1.844778   -7.900971     2    56    58    61    62
    58  C      7.255825   -2.308932   -8.612703     3    57    59    63
    59  O      8.407569   -2.290794   -8.103816     5    58
    60  HN     6.461415   -1.269934   -6.004081     4    56
    61  H      5.622239   -2.774179   -7.352922     6    57
    62  H      5.275236   -1.514894   -8.677388     6    57
    63  N      7.033259   -2.968775   -9.778980     1    58    64    67
    64  CA     8.166303   -3.725877  -10.270360     2    63    65    68    69
    65  C      8.426163   -5.069085   -9.582746     3    64    66    70
    66  O      7.503033   -5.832590   -9.365634     5    65
    67  HN     6.113338   -3.203035  -10.205937     4    63
    68  H      8.042058   -3.898752  -11.321641     6    64
    69  H      9.086036   -3.101190  -10.315698     6    64
    70  N      9.796944   -5.521435   -9.590761     1    65    71    74
    71  CA    10.223204   -6.735741   -9.007848     2    70    72    75    76
    72  C     11.667373   -6.735689   -8.493505     3    71    73    77
    73  O     11.946007   -7.483887   -7.525667     5    72
    74  HN    10.438118   -5.086589  -10.236369     4    70
    75  H      9.596729   -6.992965   -8.187344     6    71
    76  H     10.204389   -7.702754   -9.722155     6    71
    77  N     12.527500   -5.846596   -8.981169     1    72    78    81
    78  CA    13.914976   -5.772280   -8.681367     2    77    79    82    83
    79  C     14.780436   -5.580373   -9.973084     3    78    80    84
    80  O     14.257021   -5.549252  -11.120554     5    79
    81  HN    12.314365   -5.252001   -9.762215     4    77
    82  H     14.097655   -4.883807   -8.002675     6    78
    83  H     14.214269   -6.689435   -8.161113     6    78
    84  N     16.106955   -5.617341   -9.783479     1    79    85    88
    85  CA    17.071972   -5.675117  -10.902789     2    84    86    89    90
    86  C     17.267054   -7.117285  -11.534826     3    85    87    91
    87  O     18.136110   -7.333145  -12.438664     5    86
    88  HN    16.471983   -5.749407   -8.812092     4    84
    89  H     16.758727   -5.000762  -11.741763     6    85
    90  H     18.027101   -5.272957  -10.621107     6    85
    91  N     16.457067   -8.057482  -10.996802   230    86    92    93
    92  C     16.488009   -9.464577  -11.337954   232    91    94    95    96
    93  HN    15.769365   -7.844807  -10.276556   231    91
    94  H     15.591628   -9.761842  -11.901534   233    92
    95  H     16.487407  -10.004995  -10.395653   233    92
    96  H     17.339458   -9.879778  -11.947772   233    92
96 12_Glycine
     1  C      5.395524   -7.821902    1.087850   224     2     4     5     6
     2  C      5.029592   -8.188877   -0.332017   226     1     3     7
     3  O      5.360449   -7.447695   -1.294500   227     2
     4  H      4.834150   -8.275544    1.974364   225     1
     5  H      5.199125   -6.735494    1.227149   225     1
     6  H      6.583698   -7.927038    1.154122   225     1
     7  N      4.401914   -9.397799   -0.501923     1     2     8    11
     8  CA     4.073290   -9.952648   -1.771394     2     7     9    12    13
     9  C      2.603030  -10.348717   -1.959935     3     8    10    14
    10  O      1.780699  -10.352367   -1.038794     5     9
    11  HN     4.191949  -10.020160    0.266939     4     7
    12  H      4.350703   -9.167485   -2.538374     6     8
    13  H      4.678074  -10.833926   -1.887844     6     8
    14  N      2.241753  -10.698275   -3.184281     1     9    15    18
    15  CA     0.903923  -11.104444   -3.522461     2    14    16    19    20
    16  C      0.657208  -12.305344   -4.429112     3    15    17    21
    17  O     -0.505251  -12.597266   -4.715336     5    16
    18  HN     2.932838  -10.815843   -3.900109     4    14
    19  H      0.333953  -11.514024   -2.610943     6    15
    20  H      0.293790  -10.274902   -3.790163     6    15
    21  N      1.714183  -13.056066   -4.763073     1    16    22    25
    22  CA     1.772502  -14.307396   -5.551904     2    21    23    26    27
    23  C      2.636286  -15.471948   -4.981767     3    22    24    28
    24  O      2.760987  -16.546667   -5.602798     5    23
    25  HN     2.701702  -12.782187   -4.564022     4    21
    26  H      0.744145  -14.775432   -5.658348     6    22
    27  H      2.179088  -14.038552   -6.569725     6    22
    28  N      3.129736  -15.322471   -3.747009     1    23    29    32
    29  CA     3.839037  -16.266587   -3.006844     2    28    30    33    34
    30  C      5.299883  -16.397997   -3.468658     3    29    31    35
    31  O      5.660403  -15.737290   -4.502044     5    30
    32  HN     3.008849  -14.480155   -3.170860     4    28
    33  H      3.786753  -15.965232   -1.885188     6    29
    34  H      3.324638  -17.239666   -3.047099     6    29
    35  N      6.183492  -17.071406   -2.703302     1    30    36    39
    36  CA     7.647855  -17.348930   -2.660624     2    35    37    40    41
    37  C      8.442588  -17.212899   -1.378247     3    36    38    42
    38  O      9.661135  -17.325425   -1.344645     5    37
    39  HN     5.782443  -17.508101   -1.879996     4    35
    40  H      7.833096  -18.456951   -3.025566     6    36
    41  H      8.144776  -16.648907   -3.385306     6    36
    42  N      7.622940  -17.044695   -0.240092     1    37    43    46
    43  CA     8.105601  -17.151390    1.155305     2    42    44    47    48
    44  C      7.180294  -17.184611    2.332947     3    43    45    49
    45  O      7.759070  -17.489004    3.402005     5    44
    46  HN     6.601583  -17.180767   -0.376747     4    42
    47  H      8.599749  -18.126594    1.217456     6    43
    48  H      8.776682  -16.287016    1.320668     6    43
    49  N      5.895524  -16.907736    2.085238     1    44    50    53
    50  CA     4.840631  -16.791248    3.046503     2    49    51    54    55
    51  C      4.696716  -15.436500    3.697743     3    50    52    56
    52  O      5.596940  -14.530253    3.684142     5    51
    53  HN     5.555976  -16.370446    1.264780     4    49
    54  H      3.932349  -17.209620    2.599091     6    50
    55  H      4.988049  -17.543990    3.845640     6    50
    56  N      3.531155  -15.232779    4.369288     1    51    57    60
    57  CA     3.331386  -14.006991    5.157150     2    56    58    61    62
    58  C      1.884281  -13.612026    4.991842     3    57    59    63
    59  O      1.456535  -13.327681    3.825016     5    58
    60  HN     2.645605  -15.842761    4.315995     4    56
    61  H      3.690845  -14.085662    6.194037     6    57
    62  H      3.876860  -13.200975    4.684115     6    57
    63  N      1.156104  -13.268282    6.102572     1    58    64    67
    64  CA    -0.147700  -12.601502    6.195196     2    63    65    68    69
    65  C     -1.115280  -13.394495    7.019406     3    64    66    70
    66  O     -2.155531  -12.882609    7.468608     5    65
    67  HN     1.606245  -13.417615    7.026121     4    63
    68  H      0.061147  -11.714156    6.915596     6    64
    69  H     -0.609836  -12.235468    5.253922     6    64
    70  N     -0.725343  -14.649291    7.502600     1    65    71    74
    71  CA    -1.444613  -15.324708    8.560578     2    70    72    75    76
    72  C     -2.140376  -16.556851    8.088695     3    71    73    77
    73  O     -2.292990  -16.926001    6.917840     5    72
    74  HN     0.166687  -15.140880    7.150037     4    70
    75  H     -0.741963  -15.669639    9.304533     6    71
    76  H     -2.072376  -14.645672    9.123159     6    71
    77  N     -2.706698  -17.273560    9.073065     1    72    78    81
    78  CA    -3.432626  -18.467499    8.990916     2    77    79    82    83
    79  C     -3.084375  -19.620686    9.894240     3    78    80    84
    80  O     -3.873620  -20.626712   10.027391     5    79
    81  HN    -2.781465  -16.938398   10.036266     4    77
    82  H     -4.480275  -18.326260    9.248424     6    78
    83  H     -3.461382  -18.932843    7.904592     6    78
    84  N     -1.963156  -19.673064   10.608608     1    79    85    88
    85  CA    -1.690717  -20.675747   11.587005     2    84    86    89    90
    86  C     -1.891065  -20.143003   13.003974     3    85    87    91
    87  O     -2.462165  -19.107867   13.156849     5    86
    88  HN    -1.234037  -18.911863   10.577687     4    84
    89  H     -2.483257  -21.454957   11.548420     6    85
    90  H     -0.666858  -21.064280   11.412483     6    85
    91  N     -1.536418  -21.000913   13.940836   230    86    92    93
    92  C     -1.944016  -20.908799   15.330745   232    91    94    95    96
    93  HN    -0.764425  -21.689136   13.833085   231    91
    94  H     -2.050908  -19.837305   15.668408   233    92
    95  H     -1.224067  -21.462529   15.943985   233    92
    96  H     -2.973231  -21.369634   15.530154   233    92
96 12_Glycine
     1  C     -5.271485   -2.329339  -18.028605   224     2     4     5     6
     2  C     -4.045685   -3.236730  -18.023148   226     1     3     7
     3  O     -4.120683   -4.430700  -17.683156   227     2
     4  H     -5.212389   -1.302124  -18.398414   225     1
     5  H     -5.659322   -2.234390  -16.975990   225     1
     6  H     -6.013731   -2.987735  -18.538483   225     1
     7  N     -2.861967   -2.596641  -18.221746     1     2     8    11
     8  CA    -1.554321   -3.129243  -18.555694     2     7     9    12    13
     9  C     -0.442176   -2.552213  -17.697221     3     8    10    14
    10  O      0.726322   -2.594289  -18.002941     5     9
    11  HN    -2.980691   -1.557101  -18.092343     4     7
    12  H     -1.515846   -4.276961  -18.537666     6     8
    13  H     -1.396437   -2.921699  -19.650286     6     8
    14  N     -0.784764   -2.086681  -16.444561     1     9    15    18
    15  CA     0.256371   -1.704674  -15.471813     2    14    16    19    20
    16  C     -0.035068   -0.628466  -14.362050     3    15    17    21
    17  O      0.844010   -0.448848  -13.483883     5    16
    18  HN    -1.738182   -2.252862  -16.090714     4    14
    19  H      0.450722   -2.684257  -14.849206     6    15
    20  H      1.222330   -1.439042  -16.056778     6    15
    21  N     -1.192446   -0.020925  -14.332238     1    16    22    25
    22  CA    -1.549905    0.914575  -13.291529     2    21    23    26    27
    23  C     -2.697649    0.334924  -12.492418     3    22    24    28
    24  O     -2.466987   -0.710977  -11.879152     5    23
    25  HN    -1.932659   -0.274581  -15.050511     4    21
    26  H     -0.603647    1.070076  -12.660200     6    22
    27  H     -1.943285    1.930484  -13.729988     6    22
    28  N     -3.912202    0.935703  -12.527456     1    23    29    32
    29  CA    -5.138166    0.361700  -11.996485     2    28    30    33    34
    30  C     -6.243343    0.442627  -12.984796     3    29    31    35
    31  O     -5.915692    0.244431  -14.205713     5    30
    32  HN    -4.062051    1.839677  -12.869982     4    28
    33  H     -4.942527   -0.680171  -11.798331     6    29
    34  H     -5.474328    0.764406  -11.062591     6    29
    35  N     -7.503386    0.862225  -12.589283     1    30    36    39
    36  CA    -8.647962    1.005666  -13.436595     2    35    37    40    41
    37  C     -9.682471    1.858748  -12.779310     3    36    38    42
    38  O     -9.398242    2.802642  -12.095615     5    37
    39  HN    -7.697075    1.177432  -11.581990     4    35
    40  H     -8.370084    1.581689  -14.381350     6    36
    41  H     -8.980552    0.006982  -13.741276     6    36
    42  N    -10.928644    1.500070  -13.079379     1    37    43    46
    43  CA   -12.051791    2.179847  -12.463385     2    42    44    47    48
    44  C    -12.310807    1.700647  -11.068319     3    43    45    49
    45  O    -11.534199    0.871865  -10.501540     5    44
    46  HN   -11.277438    0.783700  -13.803096     4    42
    47  H    -11.859248    3.247351  -12.447593     6    43
    48  H    -13.020291    2.151633  -13.091382     6    43
    49  N    -13.326251    2.343637  -10.398741     1    44    50    53
    50  CA   -13.700738    2.159269   -9.054858     2    49    51    54    55
    51  C    -15.095945    1.658934   -8.859970     3    50    52    56
    52  O    -15.685189    1.021268   -9.762965     5    51
    53  HN   -13.902808    3.042432  -10.875386     4    49
    54  H    -13.045229    1.452020   -8.518099     6    50
    55  H    -13.542889    3.161323   -8.529539     6    50
    56  N    -15.668498    1.982065   -7.667209     1    51    57    60
    57  CA   -17.022072    1.639407   -7.273216     2    56    58    61    62
    58  C    -17.285584    1.369206   -5.768569     3    57    59    63
    59  O    -18.449471    1.400486   -5.334955     5    58
    60  HN   -15.166976    2.550142   -7.033600     4    56
    61  H    -17.762622    2.444325   -7.590373     6    57
    62  H    -17.311256    0.810736   -7.902314     6    57
    63  N    -16.256514    1.066069   -5.016603     1    58    64    67
    64  CA   -16.175318    0.759494   -3.591463     2    63    65    68    69
    65  C    -14.756471    0.186144   -3.217473     3    64    66    70
    66  O    -14.007410   -0.379317   -4.037542     5    65
    67  HN   -15.317508    0.912546   -5.440299     4    63
    68  H    -16.432686    1.613072   -2.929216     6    64
    69  H    -16.821204   -0.104223   -3.313101     6    64
    70  N    -14.531600    0.187644   -1.899810     1    65    71    74
    71  CA   -13.346016   -0.154517   -1.221828     2    70    72    75    76
    72  C    -12.787069    0.790750   -0.107765     3    71    73    77
    73  O    -11.753655    0.458948    0.524107     5    72
    74  HN   -15.263829    0.436925   -1.185034     4    70
    75  H    -13.337083   -1.158944   -0.783587     6    71
    76  H    -12.575261   -0.221324   -2.003379     6    71
    77  N    -13.357678    1.975158    0.023857     1    72    78    81
    78  CA   -12.914881    2.962260    1.005245     2    77    79    82    83
    79  C    -13.987526    3.248203    2.083591     3    78    80    84
    80  O    -14.881380    2.484130    2.292802     5    79
    81  HN   -14.241825    2.193208   -0.442275     4    77
    82  H    -11.980388    2.741035    1.529673     6    78
    83  H    -12.644109    3.978842    0.488367     6    78
    84  N    -13.715619    4.358814    2.878789     1    79    85    88
    85  CA   -14.675515    4.838009    3.866072     2    84    86    89    90
    86  C    -16.126542    5.000233    3.395649     3    85    87    91
    87  O    -16.427447    5.259579    2.243891     5    86
    88  HN   -13.134855    5.157791    2.496251     4    84
    89  H    -14.657111    4.043549    4.676075     6    85
    90  H    -14.296185    5.779740    4.395828     6    85
    91  N    -17.050323    4.947325    4.420079   230    86    92    93
    92  C    -18.494404    5.177033    4.277418   232    91    94    95    96
    93  HN   -16.830095    4.875830    5.394461   231    91
    94  H    -18.779467    5.191904    3.165020   233    92
    95  H    -18.752371    6.186332    4.672535   233    92
    96  H    -19.065719    4.325673    4.772543   233    92
96 12_Glycine
     1  C    -17.636284   -3.500859   20.197831   224     2     4     5     6
     2  C    -17.571710   -4.982493   19.843682   226     1     3     7
     3  O    -18.214155   -5.365809   18.891967   227     2
     4  H    -18.606902   -3.051960   19.923375   225     1
     5  H    -16.883844   -2.990152   19.555323   225     1
     6  H    -17.352750   -3.256215   21.255843   225     1
     7  N    -16.712678   -5.781212   20.473424     1     2     8    11
     8  CA   -16.502869   -7.182209   20.316613     2     7     9    12    13
     9  C    -15.127157   -7.646894   19.938537     3     8    10    14
    10  O    -14.983054   -8.790633   19.405413     5     9
    11  HN   -16.278165   -5.416370   21.320308     4     7
    12  H    -16.723078   -7.730415   21.274343     6     8
    13  H    -17.157867   -7.605858   19.555122     6     8
    14  N    -14.120399   -6.715867   20.069837     1     9    15    18
    15  CA   -12.776685   -6.999728   19.526266     2    14    16    19    20
    16  C    -12.598700   -7.155293   17.991865     3    15    17    21
    17  O    -13.530740   -6.952497   17.163774     5    16
    18  HN   -14.189101   -5.771898   20.620765     4    14
    19  H    -12.089837   -6.130887   19.811495     6    15
    20  H    -12.334275   -7.818954   20.047816     6    15
    21  N    -11.355699   -7.336448   17.608214     1    16    22    25
    22  CA   -10.916331   -7.268133   16.258540     2    21    23    26    27
    23  C     -9.403404   -7.076039   16.087820     3    22    24    28
    24  O     -8.801020   -6.155844   16.692772     5    23
    25  HN   -10.521445   -7.424695   18.260693     4    21
    26  H    -11.396397   -8.130137   15.757159     6    22
    27  H    -11.371897   -6.344875   15.792242     6    22
    28  N     -8.825196   -7.915257   15.180789     1    23    29    32
    29  CA    -7.451652   -8.041112   14.773181     2    28    30    33    34
    30  C     -7.080519   -7.266263   13.573575     3    29    31    35
    31  O     -7.850364   -7.099065   12.598984     5    30
    32  HN    -9.383509   -8.626841   14.662611     4    28
    33  H     -6.812505   -7.791345   15.634574     6    29
    34  H     -7.239020   -9.153088   14.564321     6    29
    35  N     -5.777136   -7.035094   13.385453     1    30    36    39
    36  CA    -5.243790   -6.324170   12.219421     2    35    37    40    41
    37  C     -3.829103   -5.755306   12.361186     3    36    38    42
    38  O     -3.185938   -5.470066   11.318592     5    37
    39  HN    -5.202113   -7.172485   14.263985     4    35
    40  H     -5.389967   -6.962661   11.336386     6    36
    41  H     -5.898786   -5.507194   11.978417     6    36
    42  N     -3.426195   -5.449859   13.574582     1    37    43    46
    43  CA    -2.103820   -4.850691   13.807835     2    42    44    47    48
    44  C     -1.744122   -4.982729   15.247933     3    43    45    49
    45  O     -1.878405   -6.050730   15.804812     5    44
    46  HN    -3.892850   -5.508241   14.441817     4    42
    47  H     -1.254401   -5.379906   13.375238     6    43
    48  H     -2.055267   -3.760360   13.424783     6    43
    49  N     -0.995121   -3.993663   15.713575     1    44    50    53
    50  CA    -0.499795   -4.110040   17.135487     2    49    51    54    55
    51  C      1.000929   -4.228740   17.125928     3    50    52    56
    52  O      1.620061   -4.884305   16.266375     5    51
    53  HN    -0.608789   -3.265754   15.167138     4    49
    54  H     -0.832227   -3.220416   17.731323     6    50
    55  H     -0.871983   -5.040597   17.685196     6    50
    56  N      1.639234   -3.586506   18.132119     1    51    57    60
    57  CA     3.107675   -3.352409   18.290161     2    56    58    61    62
    58  C      3.264955   -2.355528   19.392472     3    57    59    63
    59  O      2.285245   -1.622757   19.711415     5    58
    60  HN     1.129339   -3.376608   19.004376     4    56
    61  H      3.571838   -4.323045   18.666827     6    57
    62  H      3.628729   -2.999463   17.336884     6    57
    63  N      4.469514   -2.385251   20.036997     1    58    64    67
    64  CA     4.830819   -1.535974   21.141297     2    63    65    68    69
    65  C      4.634995   -2.182553   22.467977     3    64    66    70
    66  O      4.136280   -1.621047   23.442244     5    65
    67  HN     5.142619   -3.150487   19.880682     4    63
    68  H      5.935200   -1.084841   21.065858     6    64
    69  H      4.232945   -0.649114   21.081647     6    64
    70  N      4.963847   -3.525670   22.495168     1    65    71    74
    71  CA     4.728949   -4.376633   23.682040     2    70    72    75    76
    72  C      5.982068   -5.128470   24.081093     3    71    73    77
    73  O      6.971135   -5.162335   23.362386     5    72
    74  HN     5.745698   -3.920676   21.849798     4    70
    75  H      4.337161   -3.676155   24.489270     6    71
    76  H      3.929783   -4.974643   23.406859     6    71
    77  N      5.916405   -5.825200   25.233666     1    72    78    81
    78  CA     6.934378   -6.765588   25.628778     2    77    79    82    83
    79  C      6.491427   -7.603998   26.832296     3    78    80    84
    80  O      5.685050   -7.183633   27.639139     5    79
    81  HN     5.119246   -5.741362   25.895208     4    77
    82  H      7.154487   -7.481916   24.770689     6    78
    83  H      7.848731   -6.322016   25.940074     6    78
    84  N      7.166552   -8.848721   26.905108     1    79    85    88
    85  CA     6.931434   -9.875444   27.901472     2    84    86    89    90
    86  C      5.583134  -10.647127   27.756132     3    85    87    91
    87  O      4.826757  -10.423792   26.791568     5    86
    88  HN     7.929842   -9.026079   26.249734     4    84
    89  H      7.813596  -10.567638   27.934517     6    85
    90  H      6.985688   -9.380097   28.984416     6    85
    91  N      5.330863  -11.530579   28.719683   230    86    92    93
    92  C      4.156843  -12.341761   28.726872   232    91    94    95    96
    93  HN     6.080403  -11.813780   29.323217   231    91
    94  H      4.230454  -13.095370   29.539582   233    92
    95  H      4.001457  -12.824856   27.733684   233    92
    96  H      3.249131  -11.732909   28.807260   233    92
96 12_Glycine
     1  C      1.705227  -10.185810   15.813621   224     2     4     5     6
     2  C      1.323010  -11.675160   16.078123   226     1     3     7
     3  O      0.806940  -12.036376   17.203097   227     2
     4  H      2.372787  -10.058478   14.946497   225     1
     5  H      2.364482   -9.915749   16.655098   225     1
     6  H      0.820471   -9.585511   15.666265   225     1
     7  N      1.702406  -12.552820   15.078685     1     2     8    11
     8  CA     1.466130  -13.942679   15.159606     2     7     9    12    13
     9  C      0.161638  -14.345845   14.418245     3     8    10    14
    10  O     -0.616017  -13.470434   13.920627     5     9
    11  HN     1.971982  -12.122993   14.163147     4     7
    12  H      2.339912  -14.442213   14.786714     6     8
    13  H      1.262983  -14.328272   16.163467     6     8
    14  N     -0.011288  -15.666129   14.201736     1     9    15    18
    15  CA    -1.211230  -16.296190   13.690367     2    14    16    19    20
    16  C     -1.581085  -17.666464   14.428642     3    15    17    21
    17  O     -1.486422  -17.757004   15.650682     5    16
    18  HN     0.717739  -16.191969   14.587466     4    14
    19  H     -2.070353  -15.517992   13.897958     6    15
    20  H     -1.249836  -16.320910   12.502892     6    15
    21  N     -2.074294  -18.686917   13.686452     1    16    22    25
    22  CA    -2.643085  -19.989527   14.195891     2    21    23    26    27
    23  C     -3.939376  -20.264533   13.457393     3    22    24    28
    24  O     -4.529122  -19.422679   12.734161     5    23
    25  HN    -2.115861  -18.550958   12.681033     4    21
    26  H     -1.933722  -20.827929   14.157043     6    22
    27  H     -2.866545  -19.852141   15.262071     6    22
    28  N     -4.331908  -21.530205   13.533779     1    23    29    32
    29  CA    -5.531557  -22.059576   13.092221     2    28    30    33    34
    30  C     -5.698497  -21.973358   11.537875     3    29    31    35
    31  O     -4.740406  -21.945337   10.744295     5    30
    32  HN    -3.595217  -22.202633   13.765930     4    28
    33  H     -5.545229  -23.166668   13.194678     6    29
    34  H     -6.304961  -21.682982   13.698889     6    29
    35  N     -6.970236  -21.799774   11.143141     1    30    36    39
    36  CA    -7.515744  -21.656875    9.798875     2    35    37    40    41
    37  C     -8.148285  -22.938423    9.413294     3    36    38    42
    38  O     -8.524794  -23.700438   10.288341     5    37
    39  HN    -7.654776  -21.756929   11.851607     4    35
    40  H     -8.244266  -20.856134    9.752658     6    36
    41  H     -6.761217  -21.452107    9.002885     6    36
    42  N     -8.418580  -23.213708    8.093640     1    37    43    46
    43  CA    -9.148833  -24.325113    7.533676     2    42    44    47    48
    44  C    -10.602149  -24.330056    7.716898     3    43    45    49
    45  O    -11.030951  -23.393871    8.375258     5    44
    46  HN    -7.987301  -22.530642    7.418569     4    42
    47  H     -9.066690  -24.323893    6.425283     6    43
    48  H     -8.647695  -25.283010    7.811922     6    43
    49  N    -11.340574  -25.269167    7.101715     1    44    50    53
    50  CA   -12.784231  -25.354782    7.186565     2    49    51    54    55
    51  C    -13.521571  -24.184613    6.377990     3    50    52    56
    52  O    -12.886647  -23.309493    5.811330     5    51
    53  HN   -10.870391  -26.019891    6.638957     4    49
    54  H    -13.021540  -26.362934    6.760049     6    50
    55  H    -13.108291  -25.460447    8.239931     6    50
    56  N    -14.875241  -24.374758    6.234308     1    51    57    60
    57  CA   -15.673727  -23.482994    5.435890     2    56    58    61    62
    58  C    -17.148663  -23.136579    5.835316     3    57    59    63
    59  O    -17.954977  -23.031845    4.926575     5    58
    60  HN   -15.434443  -25.103856    6.637639     4    56
    61  H    -15.154331  -22.523345    5.331070     6    57
    62  H    -15.762774  -23.900490    4.421826     6    57
    63  N    -17.438778  -23.073941    7.158424     1    58    64    67
    64  CA   -18.750274  -22.777683    7.643336     2    63    65    68    69
    65  C    -18.667033  -21.571941    8.521569     3    64    66    70
    66  O    -17.557373  -21.029075    8.734459     5    65
    67  HN   -16.664465  -22.966774    7.857144     4    63
    68  H    -19.455869  -22.502329    6.773948     6    64
    69  H    -19.181671  -23.671498    8.130732     6    64
    70  N    -19.811106  -21.158778    9.106955     1    65    71    74
    71  CA   -19.900293  -19.977280    9.865733     2    70    72    75    76
    72  C    -20.148016  -18.714787    9.082776     3    71    73    77
    73  O    -19.879713  -18.617103    7.903157     5    72
    74  HN   -20.750672  -21.692433    9.030190     4    70
    75  H    -20.750631  -20.064871   10.623437     6    71
    76  H    -19.038835  -19.812312   10.568555     6    71
    77  N    -20.678907  -17.645346    9.749564     1    72    78    81
    78  CA   -20.856926  -16.326821    9.200742     2    77    79    82    83
    79  C    -22.281989  -15.858062    9.167312     3    78    80    84
    80  O    -22.519659  -14.701149    8.754689     5    79
    81  HN   -20.928690  -17.639291   10.706755     4    77
    82  H    -20.213563  -15.671012    9.753525     6    78
    83  H    -20.444127  -16.324269    8.217608     6    78
    84  N    -23.235162  -16.774033    9.575726     1    79    85    88
    85  CA   -24.677280  -16.535091    9.734573     2    84    86    89    90
    86  C    -24.924463  -16.191708   11.220406     3    85    87    91
    87  O    -24.358668  -15.208468   11.761067     5    86
    88  HN   -22.909743  -17.671263    9.985361     4    84
    89  H    -25.231342  -15.813315    9.080624     6    85
    90  H    -25.248336  -17.464787    9.533153     6    85
    91  N    -25.870474  -16.929662   11.938177   230    86    92    93
    92  C    -26.346038  -16.620239   13.258733   232    91    94    95    96
    93  HN   -26.192819  -17.828479   11.575666   231    91
    94  H    -26.772799  -15.620955   13.298369   233    92
    95  H    -25.607928  -16.756091   14.124663   233    92
    96  H    -27.170548  -17.335235   13.384413   233    92
96 12_Glycine
     1  C     -9.271221  -11.737900   19.218653   224     2     4     5     6
     2  C     -9.927669  -10.357551   18.907868   226     1     3     7
     3  O    -11.108484  -10.115172   19.319799   227     2
     4  H     -9.564807  -12.478543   18.452326   225     1
     5  H     -9.728014  -12.075289   20.203132   225     1
     6  H     -8.195901  -11.668314   19.350698   225     1
     7  N     -9.309379   -9.553657   18.090321     1     2     8    11
     8  CA    -9.945337   -8.388923   17.513516     2     7     9    12    13
     9  C     -9.307249   -6.929141   17.842314     3     8    10    14
    10  O     -9.909681   -5.907754   17.582941     5     9
    11  HN    -8.404504   -9.892615   17.601271     4     7
    12  H    -10.095639   -8.543228   16.429086     6     8
    13  H    -10.915005   -8.287398   17.910685     6     8
    14  N     -8.134022   -6.908875   18.608183     1     9    15    18
    15  CA    -7.319557   -5.767754   19.004473     2    14    16    19    20
    16  C     -6.467929   -5.294525   17.838874     3    15    17    21
    17  O     -6.758495   -4.308833   17.152866     5    16
    18  HN    -7.712256   -7.855281   18.812019     4    14
    19  H     -7.885704   -4.934181   19.401075     6    15
    20  H     -6.582207   -6.012054   19.824884     6    15
    21  N     -5.625965   -6.330318   17.429543     1    16    22    25
    22  CA    -4.672755   -6.098140   16.366414     2    21    23    26    27
    23  C     -3.763239   -4.961976   16.828190     3    22    24    28
    24  O     -3.171764   -5.041053   17.890066     5    23
    25  HN    -5.573271   -7.241562   17.868546     4    21
    26  H     -4.058679   -7.041787   16.258814     6    22
    27  H     -5.125242   -5.961377   15.388968     6    22
    28  N     -3.665530   -3.943129   15.934519     1    23    29    32
    29  CA    -2.982020   -2.720800   16.061740     2    28    30    33    34
    30  C     -3.664250   -1.684502   17.004467     3    29    31    35
    31  O     -3.952930   -1.976471   18.168393     5    30
    32  HN    -4.316114   -3.943023   15.093733     4    28
    33  H     -1.977873   -2.930920   16.496772     6    29
    34  H     -2.761122   -2.357559   15.039590     6    29
    35  N     -3.671226   -0.379109   16.514930     1    30    36    39
    36  CA    -4.260573    0.808856   17.212147     2    35    37    40    41
    37  C     -4.991144    1.851336   16.446403     3    36    38    42
    38  O     -5.590243    2.800908   16.958819     5    37
    39  HN    -3.200114   -0.083320   15.682429     4    35
    40  H     -4.853116    0.483815   18.090386     6    36
    41  H     -3.467402    1.340192   17.703144     6    36
    42  N     -5.061478    1.605197   15.086749     1    37    43    46
    43  CA    -5.892251    2.343586   14.119731     2    42    44    47    48
    44  C     -5.356766    3.580346   13.368142     3    43    45    49
    45  O     -4.193804    3.894086   13.450219     5    44
    46  HN    -4.649879    0.781636   14.642868     4    42
    47  H     -6.279306    1.740083   13.262729     6    43
    48  H     -6.850216    2.580091   14.597107     6    43
    49  N     -6.237945    4.155895   12.542297     1    44    50    53
    50  CA    -6.222877    5.420810   11.877773     2    49    51    54    55
    51  C     -7.664067    6.011308   11.618287     3    50    52    56
    52  O     -8.639803    5.609325   12.256892     5    51
    53  HN    -7.156048    3.650523   12.327612     4    49
    54  H     -5.693622    6.171916   12.644331     6    50
    55  H     -5.600042    5.446409   10.993680     6    50
    56  N     -7.711024    7.067568   10.694542     1    51    57    60
    57  CA    -8.963675    7.719606   10.272521     2    56    58    61    62
    58  C     -9.549193    7.007958    9.048314     3    57    59    63
    59  O    -10.766479    7.038491    8.818944     5    58
    60  HN    -6.868885    7.558641   10.426087     4    56
    61  H     -9.783946    7.720195   10.980354     6    57
    62  H     -8.782842    8.779275   10.056754     6    57
    63  N     -8.690441    6.226512    8.226453     1    58    64    67
    64  CA    -9.078627    5.284041    7.164859     2    63    65    68    69
    65  C     -8.198515    5.353349    5.903532     3    64    66    70
    66  O     -8.262243    4.440260    5.048660     5    65
    67  HN    -7.601991    6.288783    8.393753     4    63
    68  H     -8.753096    4.258625    7.545402     6    64
    69  H    -10.171491    5.496485    7.007318     6    64
    70  N     -7.240360    6.263016    5.817456     1    65    71    74
    71  CA    -6.261664    6.360409    4.698658     2    70    72    75    76
    72  C     -5.013654    7.225318    5.044147     3    71    73    77
    73  O     -5.152078    8.330814    5.637293     5    72
    74  HN    -6.970986    6.973984    6.516692     4    70
    75  H     -5.972320    5.319397    4.341154     6    71
    76  H     -6.803869    6.774454    3.803893     6    71
    77  N     -3.810538    6.732116    4.625812     1    72    78    81
    78  CA    -2.523764    7.293256    4.929097     2    77    79    82    83
    79  C     -1.304742    6.289768    5.092780     3    78    80    84
    80  O     -1.376025    5.160609    4.616417     5    79
    81  HN    -3.766169    5.814695    4.167231     4    77
    82  H     -2.268436    8.125340    4.203541     6    78
    83  H     -2.457143    7.843780    5.883526     6    78
    84  N     -0.224565    6.794279    5.717800     1    79    85    88
    85  CA     1.000010    6.235173    6.017950     2    84    86    89    90
    86  C      1.781179    5.709897    4.788696     3    85    87    91
    87  O      1.422945    6.132995    3.671455     5    86
    88  HN    -0.166814    7.829698    5.871299     4    84
    89  H      1.666677    6.971527    6.575942     6    85
    90  H      0.888027    5.356004    6.719244     6    85
    91  N      2.773786    4.830103    4.903909   230    86    92    93
    92  C      3.618933    4.128085    3.947165   232    91    94    95    96
    93  HN     3.062477    4.658520    5.845297   231    91
    94  H      4.594449    4.628515    3.910013   233    92
    95  H      3.199773    4.182584    2.903104   233    92
    96  H      3.683753    3.108582    4.331034   233    92
96 12_Glycine
     1  C    -24.102353    0.075571   -2.487157   224     2     4     5     6
     2  C    -22.891248    0.984766   -2.203963   226     1     3     7
     3  O    -21.898842    0.909010   -2.893692   227     2
     4  H    -24.855787    0.159727   -1.679801   225     1
     5  H    -23.965144   -0.971579   -2.633994   225     1
     6  H    -24.640273    0.470948   -3.428136   225     1
     7  N    -23.081218    2.007888   -1.319450     1     2     8    11
     8  CA   -22.130320    3.118589   -1.079977     2     7     9    12    13
     9  C    -21.408959    2.912130    0.218389     3     8    10    14
    10  O    -21.718241    1.958442    0.955849     5     9
    11  HN   -23.617789    1.748868   -0.478936     4     7
    12  H    -21.413803    3.110497   -1.925993     6     8
    13  H    -22.632168    4.108298   -1.175480     6     8
    14  N    -20.245590    3.637862    0.396193     1     9    15    18
    15  CA   -19.319296    3.417718    1.527615     2    14    16    19    20
    16  C    -19.345800    4.603273    2.544512     3    15    17    21
    17  O    -20.234246    5.458253    2.512867     5    16
    18  HN   -20.035222    4.411343   -0.266646     4    14
    19  H    -19.611356    2.530466    2.060175     6    15
    20  H    -18.283713    3.233659    1.090617     6    15
    21  N    -18.293331    4.704227    3.337625     1    16    22    25
    22  CA   -17.959897    5.823925    4.160196     2    21    23    26    27
    23  C    -16.776429    6.667957    3.570593     3    22    24    28
    24  O    -16.100117    6.234784    2.646832     5    23
    25  HN   -17.394146    4.101413    3.180679     4    21
    26  H    -18.930362    6.396401    4.376597     6    22
    27  H    -17.597057    5.406723    5.103395     6    22
    28  N    -16.345104    7.753124    4.291629     1    23    29    32
    29  CA   -15.095728    8.442338    4.000750     2    28    30    33    34
    30  C    -14.469188    9.355610    5.137639     3    29    31    35
    31  O    -13.641601   10.228485    4.748314     5    30
    32  HN   -16.934730    8.205249    4.992507     4    28
    33  H    -14.313237    7.680737    3.758612     6    29
    34  H    -15.289458    9.158929    3.095076     6    29
    35  N    -14.784752    9.248880    6.432004     1    30    36    39
    36  CA   -14.357925   10.116420    7.487427     2    35    37    40    41
    37  C    -15.384969   10.506462    8.493877     3    36    38    42
    38  O    -16.505131   10.008002    8.460048     5    37
    39  HN   -15.323168    8.407493    6.737944     4    35
    40  H    -13.438344    9.695225    7.973824     6    36
    41  H    -14.061398   11.152694    7.075589     6    36
    42  N    -15.047398   11.442648    9.462344     1    37    43    46
    43  CA   -15.838286   12.054029   10.491569     2    42    44    47    48
    44  C    -16.159398   13.593811   10.344648     3    43    45    49
    45  O    -17.122506   14.064579   10.925205     5    44
    46  HN   -14.090330   11.836633    9.457533     4    42
    47  H    -16.792595   11.471890   10.507582     6    43
    48  H    -15.472420   11.896217   11.538445     6    43
    49  N    -15.335524   14.304554    9.471547     1    44    50    53
    50  CA   -15.514832   15.629850    8.895982     2    49    51    54    55
    51  C    -14.663272   15.842153    7.660012     3    50    52    56
    52  O    -13.539891   15.354926    7.488712     5    51
    53  HN   -14.516637   13.829499    9.090659     4    49
    54  H    -16.579729   15.916175    8.789566     6    50
    55  H    -15.112846   16.302221    9.660634     6    50
    56  N    -15.218072   16.594186    6.687436     1    51    57    60
    57  CA   -14.630817   16.919073    5.339675     2    56    58    61    62
    58  C    -15.285196   18.157574    4.784444     3    57    59    63
    59  O    -15.503683   19.081155    5.573293     5    58
    60  HN   -16.101218   17.011677    6.979731     4    56
    61  H    -13.578364   17.126141    5.469638     6    57
    62  H    -14.658796   16.001409    4.668280     6    57
    63  N    -15.501282   18.131845    3.469907     1    58    64    67
    64  CA   -16.155132   19.145699    2.739306     2    63    65    68    69
    65  C    -15.327164   20.485944    2.561276     3    64    66    70
    66  O    -14.584100   21.013089    3.366335     5    65
    67  HN   -15.178354   17.336996    2.909489     4    63
    68  H    -16.660467   18.788620    1.867597     6    64
    69  H    -16.998807   19.515576    3.315244     6    64
    70  N    -15.435854   21.028229    1.343053     1    65    71    74
    71  CA   -14.792002   22.209313    0.776731     2    70    72    75    76
    72  C    -13.939278   21.894621   -0.491729     3    71    73    77
    73  O    -14.279377   20.937626   -1.212443     5    72
    74  HN   -15.956468   20.490856    0.672415     4    70
    75  H    -15.578125   22.862188    0.516598     6    71
    76  H    -14.196252   22.788223    1.457953     6    71
    77  N    -13.158674   22.882251   -1.010602     1    72    78    81
    78  CA   -12.705702   22.910620   -2.412754     2    77    79    82    83
    79  C    -11.767800   24.083198   -2.578261     3    78    80    84
    80  O    -10.805962   24.234703   -1.854693     5    79
    81  HN   -12.831657   23.640180   -0.416001     4    77
    82  H    -12.224802   22.001009   -2.724247     6    78
    83  H    -13.668747   22.765243   -3.084028     6    78
    84  N    -12.301206   25.067231   -3.420761     1    79    85    88
    85  CA   -11.742290   26.432410   -3.530452     2    84    86    89    90
    86  C    -10.462326   26.418603   -4.413969     3    85    87    91
    87  O     -9.904344   25.359866   -4.692868     5    86
    88  HN   -13.112159   24.824197   -4.013906     4    84
    89  H    -12.529832   27.115700   -4.018284     6    85
    90  H    -11.435742   26.694043   -2.541455     6    85
    91  N    -10.054921   27.659358   -4.802966   230    86    92    93
    92  C     -8.882807   27.968305   -5.599758   232    91    94    95    96
    93  HN   -10.631555   28.398630   -4.451345   231    91
    94  H     -7.972123   27.510683   -5.226247   233    92
    95  H     -8.632502   29.063028   -5.590227   233    92
    96  H     -8.965183   27.631175   -6.622970   233    92
96 12_Glycine
     1  C     -9.986642    6.109028  -13.953776   224     2     4     5     6
     2  C    -11.421305    6.580687  -13.690019   226     1     3     7
     3  O    -12.358681    6.316793  -14.459847   227     2
     4  H    -10.021615    4.981907  -14.131139   225     1
     5  H     -9.254278    6.393313  -13.227671   225     1
     6  H     -9.640603    6.540256  -14.949453   225     1
     7  N    -11.649574    7.293031  -12.556975     1     2     8    11
     8  CA   -12.933044    7.835499  -12.160419     2     7     9    12    13
     9  C    -12.669926    9.108187  -11.371281     3     8    10    14
    10  O    -12.127249   10.151398  -11.781014     5     9
    11  HN   -10.812144    7.589134  -11.951506     4     7
    12  H    -13.620223    8.139569  -12.996517     6     8
    13  H    -13.480324    7.039090  -11.584487     6     8
    14  N    -13.140242    9.028677  -10.109402     1     9    15    18
    15  CA   -13.410875   10.131815   -9.232019     2    14    16    19    20
    16  C    -12.454641   10.181998   -8.045420     3    15    17    21
    17  O    -12.581769   11.123905   -7.269041     5    16
    18  HN   -13.514449    8.161444   -9.716004     4    14
    19  H    -13.216717   11.067625   -9.747985     6    15
    20  H    -14.396675   10.108954   -8.757927     6    15
    21  N    -11.510564    9.258448   -7.897047     1    16    22    25
    22  CA   -10.669215    9.001475   -6.703363     2    21    23    26    27
    23  C    -11.160756    7.839718   -5.884948     3    22    24    28
    24  O    -12.188173    7.243337   -6.146659     5    23
    25  HN   -11.395232    8.539715   -8.626382     4    21
    26  H     -9.559208    8.896773   -6.842634     6    22
    27  H    -10.698041    9.902626   -6.053628     6    22
    28  N    -10.430972    7.572371   -4.740945     1    23    29    32
    29  CA   -10.730573    6.539862   -3.774518     2    28    30    33    34
    30  C    -10.912993    7.220647   -2.419464     3    29    31    35
    31  O    -11.296793    8.375237   -2.333478     5    30
    32  HN    -9.569890    8.079573   -4.646774     4    28
    33  H    -11.724639    6.002880   -3.954917     6    29
    34  H     -9.914173    5.786667   -3.679831     6    29
    35  N    -10.571245    6.349993   -1.354242     1    30    36    39
    36  CA   -10.863829    6.631439   -0.004960     2    35    37    40    41
    37  C     -9.768937    7.671713    0.540074     3    36    38    42
    38  O     -8.569612    7.316777    0.603960     5    37
    39  HN   -10.280004    5.355931   -1.507639     4    35
    40  H    -11.895695    7.046348    0.147811     6    36
    41  H    -10.882474    5.726736    0.596310     6    36
    42  N    -10.283403    8.861539    0.962664     1    37    43    46
    43  CA    -9.511849   10.000726    1.441294     2    42    44    47    48
    44  C    -10.338578   11.367620    1.462541     3    43    45    49
    45  O     -9.876074   12.270124    2.156454     5    44
    46  HN   -11.348872    8.928824    1.044306     4    42
    47  H     -9.228433    9.724835    2.503296     6    43
    48  H     -8.587655   10.122256    0.930073     6    43
    49  N    -11.630355   11.418547    1.039675     1    44    50    53
    50  CA   -12.581717   12.519169    1.316768     2    49    51    54    55
    51  C    -12.692882   12.741253    2.803475     3    50    52    56
    52  O    -12.483985   11.853211    3.602739     5    51
    53  HN   -11.995507   10.646268    0.438763     4    49
    54  H    -12.422341   13.418974    0.642578     6    50
    55  H    -13.579637   12.084942    0.949668     6    50
    56  N    -13.222013   13.917580    3.156710     1    51    57    60
    57  CA   -13.417454   14.341713    4.519284     2    56    58    61    62
    58  C    -13.565968   15.909711    4.828559     3    57    59    63
    59  O    -14.422062   16.312828    5.627671     5    58
    60  HN   -13.587906   14.467276    2.389160     4    56
    61  H    -14.293677   13.800781    4.972582     6    57
    62  H    -12.412121   14.047897    5.029262     6    57
    63  N    -12.656961   16.719877    4.143973     1    58    64    67
    64  CA   -12.557970   18.145517    4.378030     2    63    65    68    69
    65  C    -11.180093   18.801097    4.286532     3    64    66    70
    66  O    -11.088356   20.035857    4.312380     5    65
    67  HN   -12.106234   16.262371    3.419430     4    63
    68  H    -13.230199   18.689391    3.631063     6    64
    69  H    -12.948077   18.361657    5.449442     6    64
    70  N    -10.075087   18.009485    4.219087     1    65    71    74
    71  CA    -8.727053   18.407024    4.521524     2    70    72    75    76
    72  C     -8.190972   17.611352    5.789255     3    71    73    77
    73  O     -8.950022   17.288310    6.725816     5    72
    74  HN   -10.051882   17.010164    4.196571     4    70
    75  H     -8.082875   18.232571    3.679297     6    71
    76  H     -8.668699   19.457576    4.803700     6    71
    77  N     -6.862316   17.479411    5.807736     1    72    78    81
    78  CA    -6.051405   16.684846    6.706937     2    77    79    82    83
    79  C     -4.782248   17.422074    7.198782     3    78    80    84
    80  O     -3.777466   16.699462    7.513747     5    79
    81  HN    -6.301918   17.909569    5.044532     4    77
    82  H     -6.655235   16.300484    7.613761     6    78
    83  H     -5.669667   15.804802    6.170538     6    78
    84  N     -4.906852   18.746760    7.465284     1    79    85    88
    85  CA    -3.926564   19.632310    7.939286     2    84    86    89    90
    86  C     -2.834599   20.068695    7.035978     3    85    87    91
    87  O     -2.628883   19.422107    5.993291     5    86
    88  HN    -5.708228   19.231843    7.043798     4    84
    89  H     -4.455407   20.537161    8.462746     6    85
    90  H     -3.381729   19.033596    8.753427     6    85
    91  N     -2.079313   21.097404    7.411614   230    86    92    93
    92  C     -0.953586   21.654228    6.670162   232    91    94    95    96
    93  HN    -2.238331   21.561709    8.316196   231    91
    94  H     -0.563862   20.853486    5.926257   233    92
    95  H     -0.126523   21.932182    7.292758   233    92
    96  H     -1.259674   22.521858    5.999274   233    92
96 12_Glycine
     1  C      5.590152   11.422459   16.146014   224     2     4     5     6
     2  C      6.134514   12.014755   14.847155   226     1     3     7
     3  O      6.733962   11.295784   14.016014   227     2
     4  H      4.994850   12.157156   16.690177   225     1
     5  H      6.443963   11.030816   16.798219   225     1
     6  H      4.953039   10.587129   15.713299   225     1
     7  N      5.938774   13.313636   14.577688     1     2     8    11
     8  CA     6.215615   13.884680   13.276198     2     7     9    12    13
     9  C      6.120619   15.438999   13.272076     3     8    10    14
    10  O      5.339313   16.115147   14.010899     5     9
    11  HN     5.653889   13.931993   15.306839     4     7
    12  H      7.179405   13.573158   12.840660     6     8
    13  H      5.448386   13.410919   12.507327     6     8
    14  N      7.054505   16.021268   12.502538     1     9    15    18
    15  CA     7.335959   17.429271   12.290995     2    14    16    19    20
    16  C      6.799264   17.975471   11.031296     3    15    17    21
    17  O      6.247905   17.181332   10.224387     5    16
    18  HN     7.769665   15.511759   12.024064     4    14
    19  H      6.921632   18.046135   13.115231     6    15
    20  H      8.500494   17.570177   12.315301     6    15
    21  N      6.850672   19.356508   10.767326     1    16    22    25
    22  CA     6.319831   19.995590    9.573293     2    21    23    26    27
    23  C      7.345241   19.997769    8.430973     3    22    24    28
    24  O      8.242202   19.146701    8.452450     5    23
    25  HN     7.257019   19.943134   11.543090     4    21
    26  H      5.364113   19.554935    9.204402     6    22
    27  H      5.982265   20.976791    9.823179     6    22
    28  N      7.291102   21.135542    7.660620     1    23    29    32
    29  CA     8.284543   21.534369    6.716434     2    28    30    33    34
    30  C      7.601210   22.325265    5.548515     3    29    31    35
    31  O      7.157240   21.741945    4.610011     5    30
    32  HN     6.553292   21.828350    7.836799     4    28
    33  H      9.136688   22.018211    7.301967     6    29
    34  H      8.719458   20.698584    6.253887     6    29
    35  N      7.251282   23.662925    5.653111     1    30    36    39
    36  CA     6.609291   24.558050    4.702705     2    35    37    40    41
    37  C      5.075905   24.318650    4.628540     3    36    38    42
    38  O      4.439788   23.954287    5.630872     5    37
    39  HN     7.299194   24.096758    6.603398     4    35
    40  H      6.749286   25.641211    5.015575     6    36
    41  H      7.060368   24.468001    3.696413     6    36
    42  N      4.411167   24.739322    3.546969     1    37    43    46
    43  CA     2.984591   24.603307    3.272056     2    42    44    47    48
    44  C      2.381574   24.205495    1.915965     3    43    45    49
    45  O      1.175805   24.302936    1.647610     5    44
    46  HN     4.864063   25.414255    2.903222     4    42
    47  H      2.608432   23.691735    3.824174     6    43
    48  H      2.498423   25.453910    3.680153     6    43
    49  N      3.232805   23.796994    0.983012     1    44    50    53
    50  CA     2.815859   23.270588   -0.356023     2    49    51    54    55
    51  C      3.952183   22.567997   -1.205183     3    50    52    56
    52  O      4.221670   22.968001   -2.360411     5    51
    53  HN     4.255657   23.748767    1.152020     4    49
    54  H      1.965805   22.474485   -0.335494     6    50
    55  H      2.370621   24.014848   -1.027035     6    50
    56  N      4.578715   21.526549   -0.632180     1    51    57    60
    57  CA     5.751741   20.841367   -1.241052     2    56    58    61    62
    58  C      5.338651   19.436245   -1.741721     3    57    59    63
    59  O      4.179226   19.082441   -1.734161     5    58
    60  HN     4.237497   21.234748    0.310253     4    56
    61  H      6.041087   21.559856   -2.085790     6    57
    62  H      6.586695   20.738312   -0.528739     6    57
    63  N      6.392671   18.628910   -2.195254     1    58    64    67
    64  CA     6.225288   17.341444   -2.761040     2    63    65    68    69
    65  C      5.446692   16.395243   -1.863592     3    64    66    70
    66  O      5.536816   16.402825   -0.619114     5    65
    67  HN     7.310434   19.047091   -2.054513     4    63
    68  H      5.704095   17.513791   -3.710916     6    64
    69  H      7.220126   16.967254   -2.949910     6    64
    70  N      4.626542   15.430687   -2.492404     1    65    71    74
    71  CA     4.105976   14.262696   -1.756735     2    70    72    75    76
    72  C      5.255940   13.419966   -1.141751     3    71    73    77
    73  O      6.405903   13.426425   -1.601462     5    72
    74  HN     4.215992   15.582102   -3.377958     4    70
    75  H      3.451373   14.537168   -0.948174     6    71
    76  H      3.605086   13.582884   -2.505264     6    71
    77  N      4.800537   12.564200   -0.251837     1    72    78    81
    78  CA     5.605879   11.523162    0.402764     2    77    79    82    83
    79  C      6.694880   12.220509    1.238680     3    78    80    84
    80  O      6.709220   13.466081    1.594550     5    79
    81  HN     3.856634   12.564531    0.114090     4    77
    82  H      5.066204   10.753503    1.013650     6    78
    83  H      6.073541   10.876732   -0.343184     6    78
    84  N      7.563704   11.380064    1.886770     1    79    85    88
    85  CA     8.675731   11.728331    2.745897     2    84    86    89    90
    86  C      9.830086   12.369872    1.991963     3    85    87    91
    87  O      9.762577   12.366525    0.798243     5    86
    88  HN     7.421454   10.339035    1.694110     4    84
    89  H      8.244112   12.314842    3.617008     6    85
    90  H      9.065627   10.825831    3.162979     6    85
    91  N     10.870765   12.806426    2.727088   230    86    92    93
    92  C     12.165450   13.339671    2.395280   232    91    94    95    96
    93  HN    10.668803   12.887372    3.724825   231    91
    94  H     12.170624   14.346447    1.872115   233    92
    95  H     12.661402   12.574771    1.728592   233    92
    96  H     12.853717   13.411068    3.317411   233    92
96 12_Glycine
     1  C      0.270684   -5.117479   -7.321148   224     2     4     5     6
     2  C      0.109145   -5.360832   -5.795285   226     1     3     7
     3  O      0.773591   -6.266888   -5.210332   227     2
     4  H      1.201401   -4.543591   -7.456461   225     1
     5  H     -0.566103   -4.460946   -7.687565   225     1
     6  H      0.146665   -6.069546   -7.909554   225     1
     7  N     -0.755979   -4.604825   -5.056507     1     2     8    11
     8  CA    -1.114167   -4.740143   -3.660662     2     7     9    12    13
     9  C     -0.378455   -3.638436   -2.840700     3     8    10    14
    10  O      0.882574   -3.513293   -2.974581     5     9
    11  HN    -1.250130   -3.798790   -5.490665     4     7
    12  H     -2.227139   -4.596765   -3.524455     6     8
    13  H     -0.868402   -5.745609   -3.234492     6     8
    14  N     -1.022208   -2.985962   -1.894765     1     9    15    18
    15  CA    -0.433391   -2.070912   -0.945705     2    14    16    19    20
    16  C     -0.649941   -0.628545   -1.444455     3    15    17    21
    17  O     -0.790270   -0.271602   -2.613018     5    16
    18  HN    -2.025027   -3.153122   -1.722788     4    14
    19  H     -0.870383   -2.177217    0.121266     6    15
    20  H      0.608088   -2.321460   -0.652412     6    15
    21  N     -0.906099    0.210191   -0.369725     1    16    22    25
    22  CA    -1.396655    1.557677   -0.430570     2    21    23    26    27
    23  C     -0.233616    2.540365   -0.371396     3    22    24    28
    24  O      0.922423    2.114011   -0.545491     5    23
    25  HN    -0.496423   -0.095917    0.518556     4    21
    26  H     -2.067989    1.695824   -1.436748     6    22
    27  H     -2.122898    1.676033    0.419066     6    22
    28  N     -0.568469    3.822020   -0.115461     1    23    29    32
    29  CA     0.256475    5.065870   -0.142709     2    28    30    33    34
    30  C     -0.533799    6.276404   -0.784092     3    29    31    35
    31  O     -1.513952    6.124997   -1.469309     5    30
    32  HN    -1.608852    4.080962    0.051411     4    28
    33  H      0.478798    5.447996    0.896763     6    29
    34  H      1.225620    4.937884   -0.682922     6    29
    35  N      0.008106    7.456099   -0.426387     1    30    36    39
    36  CA    -0.620104    8.743051   -0.551662     2    35    37    40    41
    37  C     -0.904515    9.546476    0.761993     3    36    38    42
    38  O     -1.215052    8.869343    1.787624     5    37
    39  HN     0.881041    7.433435    0.075789     4    35
    40  H     -0.036683    9.419799   -1.220677     6    36
    41  H     -1.585081    8.654786   -1.157416     6    36
    42  N     -0.827612   10.937949    0.717609     1    37    43    46
    43  CA    -1.080384   11.865979    1.833459     2    42    44    47    48
    44  C     -0.157323   11.455274    2.991220     3    43    45    49
    45  O      1.033676   11.038815    2.953380     5    44
    46  HN    -0.514193   11.412419   -0.119300     4    42
    47  H     -0.890938   12.886183    1.464035     6    43
    48  H     -2.179768   11.771585    2.182093     6    43
    49  N     -0.734169   11.668823    4.225689     1    44    50    53
    50  CA     0.079827   11.724273    5.507212     2    49    51    54    55
    51  C      1.098897   12.853679    5.320067     3    50    52    56
    52  O      0.952172   13.695010    4.423830     5    51
    53  HN    -1.732118   11.911057    4.266301     4    49
    54  H     -0.615365   11.966413    6.375596     6    50
    55  H      0.537645   10.769146    5.699252     6    50
    56  N      2.160310   12.762320    6.173911     1    51    57    60
    57  CA     3.306940   13.650756    6.290884     2    56    58    61    62
    58  C      3.932402   13.780789    7.712726     3    57    59    63
    59  O      3.272673   13.477330    8.686360     5    58
    60  HN     2.309595   11.921959    6.708859     4    56
    61  H      4.156729   13.254246    5.694555     6    57
    62  H      3.047051   14.650905    5.907127     6    57
    63  N      5.202213   14.216588    7.785776     1    58    64    67
    64  CA     6.098683   14.394595    8.942517     2    63    65    68    69
    65  C      7.548687   13.845372    8.687773     3    64    66    70
    66  O      8.353461   13.998858    9.616093     5    65
    67  HN     5.642060   14.621801    6.986092     4    63
    68  H      6.319593   15.521636    9.110386     6    64
    69  H      5.626960   14.027046    9.921630     6    64
    70  N      7.814352   13.089944    7.599523     1    65    71    74
    71  CA     9.056487   12.413166    7.431833     2    70    72    75    76
    72  C      9.365933   12.302084    5.907051     3    71    73    77
    73  O      8.736930   12.998432    5.060613     5    72
    74  HN     7.093754   12.915399    6.903519     4    70
    75  H      9.914867   12.891990    7.873995     6    71
    76  H      8.925515   11.383445    7.934241     6    71
    77  N     10.342111   11.497293    5.533980     1    72    78    81
    78  CA    10.804683   11.237440    4.161780     2    77    79    82    83
    79  C      9.809807   10.459254    3.309620     3    78    80    84
    80  O      8.865402    9.848929    3.867407     5    79
    81  HN    10.903522   11.060996    6.220176     4    77
    82  H     11.010417   12.246746    3.618055     6    78
    83  H     11.819377   10.790317    4.174625     6    78
    84  N     10.104245   10.451906    2.001878     1    79    85    88
    85  CA     9.313330    9.748499    1.008067     2    84    86    89    90
    86  C      9.977943    8.479702    0.447063     3    85    87    91
    87  O     11.135311    8.225731    0.803436     5    86
    88  HN    10.953708   10.961512    1.500502     4    84
    89  H      8.321864    9.469021    1.408424     6    85
    90  H      9.125218   10.410448    0.067243     6    85
    91  N      9.239569    7.662798   -0.345848   230    86    92    93
    92  C      9.646450    6.560700   -1.155994   232    91    94    95    96
    93  HN     8.264055    7.995763   -0.516859   231    91
    94  H     10.693156    6.299227   -0.838261   233    92
    95  H      9.658681    6.791558   -2.201437   233    92
    96  H      9.066710    5.637288   -0.962584   233    92
96 12_Glycine
     1  C      1.081849   15.679727   16.389881   224     2     4     5     6
     2  C      2.390189   16.407946   16.031443   226     1     3     7
     3  O      3.327443   15.776937   15.560597   227     2
     4  H      1.264670   14.884533   17.159090   225     1
     5  H      0.592773   15.308101   15.433890   225     1
     6  H      0.368534   16.439604   16.832594   225     1
     7  N      2.557426   17.609633   16.592690     1     2     8    11
     8  CA     3.812396   18.348757   16.556684     2     7     9    12    13
     9  C      3.671503   19.793044   16.777818     3     8    10    14
    10  O      2.577625   20.377540   16.815563     5     9
    11  HN     1.852886   18.175667   17.152467     4     7
    12  H      4.502044   17.903815   17.368640     6     8
    13  H      4.265192   18.356228   15.525712     6     8
    14  N      4.901021   20.431430   16.780764     1     9    15    18
    15  CA     5.090065   21.907017   16.699018     2    14    16    19    20
    16  C      5.072164   22.305087   15.224221     3    15    17    21
    17  O      4.635478   21.544942   14.310425     5    16
    18  HN     5.769614   19.857126   16.746601     4    14
    19  H      4.232705   22.454391   17.111228     6    15
    20  H      5.946136   22.340002   17.268881     6    15
    21  N      5.353143   23.555589   14.917339     1    16    22    25
    22  CA     5.165977   24.187075   13.623121     2    21    23    26    27
    23  C      6.407360   24.015776   12.761421     3    22    24    28
    24  O      7.465240   23.937861   13.340011     5    23
    25  HN     5.661292   24.162847   15.697880     4    21
    26  H      4.271676   23.841737   13.104692     6    22
    27  H      4.863381   25.272121   13.778609     6    22
    28  N      6.262783   24.169368   11.403460     1    23    29    32
    29  CA     7.290802   23.672899   10.507616     2    28    30    33    34
    30  C      6.584643   23.203675    9.262564     3    29    31    35
    31  O      5.465456   22.652898    9.319672     5    30
    32  HN     5.327931   24.545570   11.030752     4    28
    33  H      8.128594   24.435468   10.366256     6    29
    34  H      7.747165   22.723464   10.976108     6    29
    35  N      7.149942   23.355943    8.101924     1    30    36    39
    36  CA     6.854803   22.847892    6.823169     2    35    37    40    41
    37  C      5.840833   23.808498    6.088721     3    36    38    42
    38  O      5.356277   24.800816    6.637058     5    37
    39  HN     7.833839   24.107138    8.060174     4    35
    40  H      7.780728   22.723077    6.182449     6    36
    41  H      6.191974   22.046865    6.920186     6    36
    42  N      5.683176   23.447972    4.801510     1    37    43    46
    43  CA     4.807232   24.046516    3.893344     2    42    44    47    48
    44  C      3.671072   23.248545    3.288906     3    43    45    49
    45  O      2.879112   23.810396    2.574166     5    44
    46  HN     6.166093   22.618736    4.450080     4    42
    47  H      4.377027   24.900811    4.393423     6    43
    48  H      5.451126   24.565308    3.086776     6    43
    49  N      3.486579   21.991420    3.781350     1    44    50    53
    50  CA     2.570453   21.013335    3.312604     2    49    51    54    55
    51  C      3.295342   20.017567    2.375720     3    50    52    56
    52  O      4.400112   20.217662    1.846333     5    51
    53  HN     3.865528   21.680731    4.688209     4    49
    54  H      2.132147   20.611855    4.266218     6    50
    55  H      1.659810   21.399980    2.881249     6    50
    56  N      2.586313   18.891508    2.304832     1    51    57    60
    57  CA     2.920528   17.580997    1.716512     2    56    58    61    62
    58  C      2.732392   17.533670    0.200949     3    57    59    63
    59  O      1.982407   18.245636   -0.440144     5    58
    60  HN     1.834777   18.788174    2.961240     4    56
    61  H      3.945982   17.290165    2.024419     6    57
    62  H      2.172172   16.868965    2.097889     6    57
    63  N      3.409831   16.474978   -0.356885     1    58    64    67
    64  CA     3.398211   16.024587   -1.713056     2    63    65    68    69
    65  C      3.909068   14.630627   -1.724675     3    64    66    70
    66  O      3.630334   13.781509   -0.843414     5    65
    67  HN     3.980236   15.849854    0.214669     4    63
    68  H      2.281172   15.972541   -2.012342     6    64
    69  H      3.950514   16.655977   -2.409153     6    64
    70  N      4.666700   14.330078   -2.816553     1    65    71    74
    71  CA     5.402994   13.095126   -3.036894     2    70    72    75    76
    72  C      6.399198   12.952281   -1.830170     3    71    73    77
    73  O      6.913287   13.990844   -1.420268     5    72
    74  HN     4.739338   15.074834   -3.545120     4    70
    75  H      4.838741   12.221369   -3.194188     6    71
    76  H      5.944904   13.185522   -3.964452     6    71
    77  N      6.969946   11.737825   -1.555784     1    72    78    81
    78  CA     7.936956   11.499423   -0.460955     2    77    79    82    83
    79  C      7.337022   12.003692    0.837681     3    78    80    84
    80  O      6.117476   12.072695    0.955223     5    79
    81  HN     6.865712   10.955425   -2.240509     4    77
    82  H      8.187006   10.392281   -0.514341     6    78
    83  H      8.978074   11.902060   -0.631286     6    78
    84  N      8.121515   12.147683    1.881065     1    79    85    88
    85  CA     7.665232   12.488917    3.186310     2    84    86    89    90
    86  C      7.226780   11.392582    4.134816     3    85    87    91
    87  O      6.443132   11.654061    5.082738     5    86
    88  HN     9.173253   12.044015    1.718090     4    84
    89  H      8.480889   13.034291    3.607010     6    85
    90  H      6.834742   13.204408    3.051389     6    85
    91  N      7.667525   10.136051    3.930607   230    86    92    93
    92  C      7.358286    8.847256    4.589220   232    91    94    95    96
    93  HN     8.412214    9.969291    3.243201   231    91
    94  H      6.361809    8.487443    4.158101   233    92
    95  H      7.290738    8.921004    5.677545   233    92
    96  H      8.204600    8.170643    4.314802   233    92
96 12_Glycine
     1  C      2.716908   -5.324159   -7.421156   224     2     4     5     6
     2  C      1.502460   -5.207014   -6.463517   226     1     3     7
     3  O      1.447393   -5.939728   -5.493650   227     2
     4  H      3.282919   -6.239406   -7.263657   225     1
     5  H      3.394640   -4.526362   -7.263816   225     1
     6  H      2.437155   -5.264849   -8.503295   225     1
     7  N      0.548117   -4.282096   -6.795043     1     2     8    11
     8  CA    -0.627047   -3.968991   -5.973506     2     7     9    12    13
     9  C     -0.326274   -3.056144   -4.770834     3     8    10    14
    10  O      0.606354   -2.277807   -4.756776     5     9
    11  HN     0.817261   -3.556360   -7.460123     4     7
    12  H     -1.403441   -3.466185   -6.594892     6     8
    13  H     -1.091535   -4.874116   -5.657163     6     8
    14  N     -1.280795   -3.167152   -3.782884     1     9    15    18
    15  CA    -1.256925   -2.349675   -2.572369     2    14    16    19    20
    16  C     -1.382958   -0.833837   -2.919558     3    15    17    21
    17  O     -1.793548   -0.406033   -3.982725     5    16
    18  HN    -2.027864   -3.901490   -3.704464     4    14
    19  H     -2.186831   -2.560235   -1.926251     6    15
    20  H     -0.382346   -2.614154   -1.966374     6    15
    21  N     -1.058939    0.025248   -1.822608     1    16    22    25
    22  CA    -1.215350    1.520276   -1.882296     2    21    23    26    27
    23  C     -0.195547    2.187387   -0.963894     3    22    24    28
    24  O      0.692794    1.523812   -0.381833     5    23
    25  HN    -0.564640   -0.397541   -1.015501     4    21
    26  H     -1.017500    1.966559   -2.929446     6    22
    27  H     -2.227107    1.886100   -1.550949     6    22
    28  N     -0.212584    3.529670   -1.044467     1    23    29    32
    29  CA     0.593401    4.322878   -0.184842     2    28    30    33    34
    30  C     -0.107160    5.701643    0.151307     3    29    31    35
    31  O     -1.360362    5.809142    0.375637     5    30
    32  HN    -0.729594    4.109533   -1.771683     4    28
    33  H      0.730439    3.704243    0.726643     6    29
    34  H      1.627453    4.405837   -0.666127     6    29
    35  N      0.778343    6.730995    0.224370     1    30    36    39
    36  CA     0.436074    8.039247    0.612931     2    35    37    40    41
    37  C     -0.118618    8.134090    2.039966     3    36    38    42
    38  O     -0.303317    7.138046    2.814689     5    37
    39  HN     1.774074    6.656678    0.219396     4    35
    40  H      1.321236    8.713634    0.587408     6    36
    41  H     -0.242327    8.473638   -0.097111     6    36
    42  N     -0.259121    9.457414    2.492066     1    37    43    46
    43  CA    -0.406659    9.826895    3.850566     2    42    44    47    48
    44  C      1.019794    9.776342    4.493088     3    43    45    49
    45  O      2.077846    9.732618    3.766086     5    44
    46  HN    -0.369180   10.155722    1.742045     4    42
    47  H     -0.800312   10.822954    3.943927     6    43
    48  H     -1.176939    9.033661    4.282798     6    43
    49  N      1.107653    9.791040    5.873819     1    44    50    53
    50  CA     2.369393    9.708978    6.671289     2    49    51    54    55
    51  C      2.961511   11.111102    6.702569     3    50    52    56
    52  O      2.317490   12.063386    6.296695     5    51
    53  HN     0.320348    9.785393    6.502583     4    49
    54  H      2.173762    9.318531    7.742201     6    50
    55  H      3.107962    8.991560    6.223020     6    50
    56  N      4.201862   11.176368    7.152249     1    51    57    60
    57  CA     5.000471   12.483120    7.229814     2    56    58    61    62
    58  C      6.020010   12.344406    8.328399     3    57    59    63
    59  O      5.687088   11.805508    9.501325     5    58
    60  HN     4.635471   10.278196    7.418591     4    56
    61  H      5.489001   12.868063    6.222512     6    57
    62  H      4.292166   13.267560    7.530109     6    57
    63  N      7.252781   12.831241    8.097758     1    58    64    67
    64  CA     8.354992   12.885808    8.990291     2    63    65    68    69
    65  C      9.623909   12.088642    8.694556     3    64    66    70
    66  O     10.568941   12.160586    9.517324     5    65
    67  HN     7.489144   13.288769    7.161335     4    63
    68  H      8.631027   13.914250    9.011037     6    64
    69  H      8.060402   12.618273   10.024302     6    64
    70  N      9.628560   11.396502    7.506009     1    65    71    74
    71  CA    10.804042   10.743398    7.017900     2    70    72    75    76
    72  C     10.628909   10.219654    5.586647     3    71    73    77
    73  O     10.432350   11.061697    4.694452     5    72
    74  HN     8.867070   11.157795    6.890978     4    70
    75  H     11.563567   11.556314    6.977826     6    71
    76  H     11.280915   10.032910    7.718374     6    71
    77  N     10.620920    8.888978    5.346375     1    72    78    81
    78  CA    10.428198    8.362195    4.054604     2    77    79    82    83
    79  C      9.059226    7.644817    3.825336     3    78    80    84
    80  O      8.005755    8.034439    4.367976     5    79
    81  HN    10.771076    8.292364    6.199787     4    77
    82  H     10.415794    9.180530    3.320864     6    78
    83  H     11.298790    7.788311    3.746743     6    78
    84  N      9.073993    6.677651    2.832544     1    79    85    88
    85  CA     7.997395    5.820277    2.325367     2    84    86    89    90
    86  C      7.999629    5.693439    0.779710     3    85    87    91
    87  O      8.341152    6.601181    0.078247     5    86
    88  HN    10.004789    6.495832    2.366226     4    84
    89  H      8.046950    4.778758    2.800735     6    85
    90  H      7.040520    6.197003    2.746025     6    85
    91  N      7.299482    4.644341    0.252663   230    86    92    93
    92  C      7.141591    4.298724   -1.114245   232    91    94    95    96
    93  HN     6.959418    3.927413    0.879017   231    91
    94  H      6.206401    4.664657   -1.546908   233    92
    95  H      7.177300    3.181374   -1.233063   233    92
    96  H      7.910169    4.769615   -1.831232   233    92
96 12_Glycine
     1  C     -1.648826   -7.193747   -6.550550   224     2     4     5     6
     2  C     -2.818056   -7.347167   -5.572934   226     1     3     7
     3  O     -3.681052   -8.242188   -5.673432   227     2
     4  H     -0.648762   -7.197691   -6.025736   225     1
     5  H     -1.745775   -6.239675   -7.096211   225     1
     6  H     -1.617268   -8.060828   -7.226946   225     1
     7  N     -2.849091   -6.426940   -4.575579     1     2     8    11
     8  CA    -3.874985   -6.264686   -3.581720     2     7     9    12    13
     9  C     -4.013517   -4.860724   -3.022544     3     8    10    14
    10  O     -4.522668   -4.700439   -1.907877     5     9
    11  HN    -1.995847   -5.915132   -4.418033     4     7
    12  H     -4.868485   -6.531931   -4.116858     6     8
    13  H     -3.805835   -6.977951   -2.661867     6     8
    14  N     -3.638627   -3.771062   -3.698952     1     9    15    18
    15  CA    -3.568939   -2.431729   -3.112089     2    14    16    19    20
    16  C     -2.230762   -1.755679   -3.334541     3    15    17    21
    17  O     -1.211847   -2.243456   -3.603817     5    16
    18  HN    -3.215902   -3.784491   -4.640387     4    14
    19  H     -4.368959   -1.794944   -3.575360     6    15
    20  H     -3.771996   -2.449239   -2.047094     6    15
    21  N     -2.315275   -0.399591   -3.210635     1    16    22    25
    22  CA    -1.191753    0.491390   -3.115673     2    21    23    26    27
    23  C     -0.709365    0.799324   -1.726990     3    22    24    28
    24  O     -0.653698   -0.113135   -0.949952     5    23
    25  HN    -3.143533   -0.066311   -2.683596     4    21
    26  H     -0.358496    0.102020   -3.740386     6    22
    27  H     -1.487769    1.468462   -3.555136     6    22
    28  N     -0.086832    2.030598   -1.543204     1    23    29    32
    29  CA     0.424050    2.526590   -0.316791     2    28    30    33    34
    30  C      1.228836    3.839328   -0.362499     3    29    31    35
    31  O      2.311523    3.969810   -0.896805     5    30
    32  HN    -0.319192    2.810044   -2.193586     4    28
    33  H     -0.422883    2.642213    0.463286     6    29
    34  H      1.116712    1.803352    0.076922     6    29
    35  N      0.672320    4.809926    0.328288     1    30    36    39
    36  CA     1.145720    6.139589    0.565255     2    35    37    40    41
    37  C      1.679857    6.227011    2.022985     3    36    38    42
    38  O      1.822883    5.233295    2.769848     5    37
    39  HN    -0.253319    4.726122    0.788220     4    35
    40  H      1.977129    6.407887   -0.075469     6    36
    41  H      0.339472    6.837501    0.301070     6    36
    42  N      1.594561    7.494096    2.547048     1    37    43    46
    43  CA     1.784467    7.745407    3.954268     2    42    44    47    48
    44  C      3.253520    8.140045    4.257695     3    43    45    49
    45  O      4.105442    8.269698    3.353021     5    44
    46  HN     1.482663    8.253008    1.890483     4    42
    47  H      1.230312    8.634586    4.300802     6    43
    48  H      1.406935    6.885149    4.616885     6    43
    49  N      3.565156    8.440567    5.486157     1    44    50    53
    50  CA     4.794605    9.045831    6.079908     2    49    51    54    55
    51  C      4.447126    9.736924    7.335870     3    50    52    56
    52  O      3.314696   10.122051    7.608415     5    51
    53  HN     2.889706    8.265505    6.196611     4    49
    54  H      5.560319    8.183661    6.152940     6    50
    55  H      5.217769    9.768892    5.372245     6    50
    56  N      5.556262    9.786659    8.126397     1    51    57    60
    57  CA     5.568802   10.312382    9.434655     2    56    58    61    62
    58  C      6.981470   10.934039    9.867528     3    57    59    63
    59  O      7.341093   11.062975   11.080279     5    58
    60  HN     6.417490    9.317105    7.946823     4    56
    61  H      4.736031   11.102917    9.589724     6    57
    62  H      5.277391    9.449745   10.129882     6    57
    63  N      7.686337   11.511616    8.878884     1    58    64    67
    64  CA     8.883269   12.162474    9.028849     2    63    65    68    69
    65  C      9.868404   11.832024    7.958534     3    64    66    70
    66  O     10.538977   12.725885    7.438253     5    65
    67  HN     7.241341   11.523239    7.986850     4    63
    68  H      8.637742   13.259571    8.925619     6    64
    69  H      9.382918   12.028617    9.989914     6    64
    70  N      9.729625   10.647115    7.341147     1    65    71    74
    71  CA    10.389514   10.192576    6.117959     2    70    72    75    76
    72  C      9.480965    9.227897    5.345641     3    71    73    77
    73  O      8.258345    9.241112    5.428767     5    72
    74  HN     9.208676    9.928230    7.850250     4    70
    75  H     10.767997   11.103918    5.522665     6    71
    76  H     11.382585    9.786581    6.381176     6    71
    77  N     10.131532    8.474186    4.418967     1    72    78    81
    78  CA     9.622422    7.462992    3.565571     2    77    79    82    83
    79  C      8.520228    6.545787    4.148909     3    78    80    84
    80  O      8.584460    6.032887    5.292935     5    79
    81  HN    11.203580    8.471852    4.451006     4    77
    82  H      9.281373    7.833097    2.575543     6    78
    83  H     10.424994    6.679827    3.383885     6    78
    84  N      7.519601    6.254211    3.351422     1    79    85    88
    85  CA     6.436961    5.372066    3.700634     2    84    86    89    90
    86  C      5.864926    4.540223    2.563026     3    85    87    91
    87  O      6.250383    4.753949    1.426654     5    86
    88  HN     7.407748    6.605819    2.329006     4    84
    89  H      6.795394    4.660292    4.462686     6    85
    90  H      5.563713    5.955302    4.064421     6    85
    91  N      4.930727    3.635683    2.846868   230    86    92    93
    92  C      4.293672    2.618872    1.921020   232    91    94    95    96
    93  HN     4.708499    3.544848    3.815673   231    91
    94  H      3.276927    2.949257    1.581357   233    92
    95  H      4.250420    1.600992    2.457536   233    92
    96  H      4.888014    2.596415    1.004145   233    92
96 12_Glycine
     1  C     12.311801   -3.768473   13.290737   224     2     4     5     6
     2  C     12.795805   -4.275414   14.729258   226     1     3     7
     3  O     12.578782   -5.422296   15.189212   227     2
     4  H     12.543828   -2.721453   12.845138   225     1
     5  H     11.285044   -4.027620   13.239896   225     1
     6  H     12.795822   -4.421040   12.549196   225     1
     7  N     13.398849   -3.330945   15.588213     1     2     8    11
     8  CA    13.839667   -3.534748   16.975017     2     7     9    12    13
     9  C     15.203978   -3.003901   17.333367     3     8    10    14
    10  O     15.745850   -3.266376   18.428664     5     9
    11  HN    13.514348   -2.376158   15.244699     4     7
    12  H     13.050535   -3.099456   17.702633     6     8
    13  H     13.791350   -4.639602   17.148120     6     8
    14  N     15.900997   -2.388798   16.398793     1     9    15    18
    15  CA    17.309965   -1.908194   16.520113     2    14    16    19    20
    16  C     17.462107   -0.949692   17.679936     3    15    17    21
    17  O     16.876851    0.083331   17.853427     5    16
    18  HN    15.508071   -2.254936   15.477805     4    14
    19  H     17.978661   -2.806479   16.574689     6    15
    20  H     17.571099   -1.392802   15.564758     6    15
    21  N     18.439310   -1.311287   18.520506     1    16    22    25
    22  CA    18.827936   -0.536868   19.671391     2    21    23    26    27
    23  C     18.093183   -0.958588   21.001032     3    22    24    28
    24  O     18.353571   -0.374012   22.074122     5    23
    25  HN    18.829898   -2.229182   18.393892     4    21
    26  H     19.952364   -0.516110   19.905352     6    22
    27  H     18.611855    0.524436   19.484802     6    22
    28  N     17.337358   -2.008208   21.032715     1    23    29    32
    29  CA    16.677021   -2.389859   22.301104     2    28    30    33    34
    30  C     16.497572   -3.917561   22.297903     3    29    31    35
    31  O     16.461531   -4.477228   21.223576     5    30
    32  HN    17.041276   -2.528821   20.146905     4    28
    33  H     17.285351   -2.104597   23.156923     6    29
    34  H     15.739315   -1.835255   22.320080     6    29
    35  N     16.307914   -4.508148   23.463461     1    30    36    39
    36  CA    16.252637   -5.894063   23.661630     2    35    37    40    41
    37  C     14.808391   -6.501222   23.633037     3    36    38    42
    38  O     13.906005   -5.993691   22.942267     5    37
    39  HN    16.146025   -3.912753   24.238359     4    35
    40  H     16.797207   -6.489367   22.860977     6    36
    41  H     16.758750   -6.100853   24.638839     6    36
    42  N     14.538898   -7.539001   24.428473     1    37    43    46
    43  CA    13.251523   -8.162549   24.683297     2    42    44    47    48
    44  C     12.408296   -7.245934   25.607374     3    43    45    49
    45  O     12.963820   -6.426873   26.386916     5    44
    46  HN    15.252899   -7.909097   25.050985     4    42
    47  H     12.676242   -8.348206   23.728653     6    43
    48  H     13.373449   -9.067001   25.341752     6    43
    49  N     11.088205   -7.440419   25.543153     1    44    50    53
    50  CA    10.026728   -6.643349   26.153235     2    49    51    54    55
    51  C      9.646304   -5.480983   25.226515     3    50    52    56
    52  O      9.902254   -5.357731   24.040180     5    51
    53  HN    10.810711   -8.348137   25.108434     4    49
    54  H      9.173109   -7.336330   26.456498     6    50
    55  H     10.475643   -6.166321   27.047320     6    50
    56  N      8.813281   -4.517773   25.880122     1    51    57    60
    57  CA     8.464194   -3.275115   25.318531     2    56    58    61    62
    58  C      7.532887   -3.351566   24.159027     3    57    59    63
    59  O      6.831706   -4.313651   23.907110     5    58
    60  HN     8.597503   -4.567015   26.875666     4    56
    61  H      8.079881   -2.602806   26.092716     6    57
    62  H      9.386463   -2.776271   25.011076     6    57
    63  N      7.589682   -2.200506   23.410832     1    58    64    67
    64  CA     6.741659   -2.067757   22.219049     2    63    65    68    69
    65  C      7.287488   -1.173448   21.131733     3    64    66    70
    66  O      6.584492   -0.777258   20.169398     5    65
    67  HN     7.955993   -1.284127   23.671466     4    63
    68  H      6.485171   -3.009420   21.643420     6    64
    69  H      5.760130   -1.632409   22.637720     6    64
    70  N      8.608840   -1.023463   21.089089     1    65    71    74
    71  CA     9.427504   -0.340751   20.170874     2    70    72    75    76
    72  C      9.649419   -0.985251   18.850432     3    71    73    77
    73  O      9.827689   -0.346504   17.776149     5    72
    74  HN     9.158331   -1.415848   21.836449     4    70
    75  H      9.020542    0.671111   20.021091     6    71
    76  H     10.473530   -0.244249   20.574198     6    71
    77  N      9.757924   -2.332651   18.825426     1    72    78    81
    78  CA     9.985043   -3.081599   17.673562     2    77    79    82    83
    79  C      8.785766   -3.165529   16.829043     3    78    80    84
    80  O      7.639562   -2.928894   17.294184     5    79
    81  HN     9.756964   -2.844171   19.699249     4    77
    82  H     10.791809   -2.674383   17.084537     6    78
    83  H     10.280876   -4.191243   17.949221     6    78
    84  N      9.029327   -3.646570   15.544980     1    79    85    88
    85  CA     7.912854   -3.825232   14.631178     2    84    86    89    90
    86  C      8.359021   -3.751962   13.155328     3    85    87    91
    87  O      9.217529   -2.938303   12.780530     5    86
    88  HN     9.953013   -4.015682   15.294279     4    84
    89  H      7.386491   -4.754413   14.901927     6    85
    90  H      7.250250   -2.965446   14.760265     6    85
    91  N      7.749200   -4.663804   12.375266   230    86    92    93
    92  C      7.881156   -4.758103   10.909141   232    91    94    95    96
    93  HN     7.037262   -5.350719   12.695447   231    91
    94  H      6.998419   -5.358033   10.531971   233    92
    95  H      8.757324   -5.334709   10.630499   233    92
    96  H      7.888028   -3.783469   10.396401   233    92
96 12_Glycine
     1  C     -0.410578    5.081844  -15.138958   224     2     4     5     6
     2  C     -0.496480    5.645674  -13.686293   226     1     3     7
     3  O     -1.584272    6.039704  -13.285487   227     2
     4  H     -0.912173    5.799349  -15.825188   225     1
     5  H     -0.872824    4.036132  -15.167144   225     1
     6  H      0.604747    4.952300  -15.538364   225     1
     7  N      0.585893    5.344937  -12.939930     1     2     8    11
     8  CA     0.747422    5.606507  -11.523267     2     7     9    12    13
     9  C      2.048360    5.148285  -10.887560     3     8    10    14
    10  O      2.691698    4.188578  -11.307315     5     9
    11  HN     1.453550    5.022858  -13.361212     4     7
    12  H      0.475438    6.701229  -11.334929     6     8
    13  H     -0.136301    4.958772  -10.984074     6     8
    14  N      2.510685    5.948085   -9.915405     1     9    15    18
    15  CA     3.719033    5.842655   -9.103344     2    14    16    19    20
    16  C      3.641246    5.575102   -7.637666     3    15    17    21
    17  O      4.710911    5.484447   -6.997340     5    16
    18  HN     1.993719    6.835329   -9.675866     4    14
    19  H      4.321277    5.080056   -9.494615     6    15
    20  H      4.393025    6.755712   -9.210616     6    15
    21  N      2.375636    5.417725   -7.109804     1    16    22    25
    22  CA     2.196498    5.215764   -5.689725     2    21    23    26    27
    23  C      0.853246    5.755284   -5.175074     3    22    24    28
    24  O      0.170367    6.495993   -5.842675     5    23
    25  HN     1.590327    5.383484   -7.713079     4    21
    26  H      2.235319    4.113304   -5.523322     6    22
    27  H      3.112985    5.638915   -5.216896     6    22
    28  N      0.412758    5.127771   -4.087763     1    23    29    32
    29  CA    -0.838452    5.377919   -3.322812     2    28    30    33    34
    30  C     -1.532962    4.079902   -3.035963     3    29    31    35
    31  O     -2.350919    4.005278   -2.081595     5    30
    32  HN     1.113686    4.529708   -3.656700     4    28
    33  H     -0.603030    5.917168   -2.364954     6    29
    34  H     -1.504804    6.001790   -3.876623     6    29
    35  N     -1.321192    3.002306   -3.802956     1    30    36    39
    36  CA    -1.847909    1.634744   -3.583932     2    35    37    40    41
    37  C     -0.815731    0.616695   -3.037146     3    36    38    42
    38  O      0.355183    0.930227   -2.779298     5    37
    39  HN    -0.659200    3.127046   -4.568717     4    35
    40  H     -2.768124    1.533366   -2.973828     6    36
    41  H     -2.114744    1.293974   -4.583269     6    36
    42  N     -1.291550   -0.634595   -2.777595     1    37    43    46
    43  CA    -0.630192   -1.706803   -2.058204     2    42    44    47    48
    44  C     -1.679159   -2.575797   -1.253894     3    43    45    49
    45  O     -1.371308   -3.814207   -1.096772     5    44
    46  HN    -2.188601   -1.018625   -3.074007     4    42
    47  H     -0.040888   -2.361586   -2.734431     6    43
    48  H      0.155731   -1.501321   -1.340916     6    43
    49  N     -2.900168   -2.122274   -0.852802     1    44    50    53
    50  CA    -3.956617   -2.925027   -0.152171     2    49    51    54    55
    51  C     -5.312987   -2.217308   -0.179926     3    50    52    56
    52  O     -6.218427   -2.566816    0.582814     5    51
    53  HN    -3.015203   -1.152667   -0.923204     4    49
    54  H     -4.015029   -3.928330   -0.596262     6    50
    55  H     -3.606609   -3.077045    0.879537     6    50
    56  N     -5.606189   -1.353869   -1.154054     1    51    57    60
    57  CA    -6.877725   -0.840483   -1.497972     2    56    58    61    62
    58  C     -6.896340    0.626305   -1.941599     3    57    59    63
    59  O     -7.849014    1.098051   -2.588801     5    58
    60  HN    -4.936288   -1.307496   -1.927884     4    56
    61  H     -7.283046   -1.430545   -2.389786     6    57
    62  H     -7.661916   -0.940018   -0.648357     6    57
    63  N     -5.743800    1.333680   -1.647520     1    58    64    67
    64  CA    -5.440858    2.682626   -2.054733     2    63    65    68    69
    65  C     -5.387965    2.848969   -3.583951     3    64    66    70
    66  O     -5.179744    1.919200   -4.434993     5    65
    67  HN    -5.009006    0.954576   -1.092581     4    63
    68  H     -6.159007    3.376670   -1.505413     6    64
    69  H     -4.458377    2.955208   -1.634462     6    64
    70  N     -5.486191    4.132882   -4.045140     1    65    71    74
    71  CA    -5.480539    4.507966   -5.460237     2    70    72    75    76
    72  C     -4.112299    5.169106   -5.823379     3    71    73    77
    73  O     -3.502929    5.870876   -4.970926     5    72
    74  HN    -5.190149    4.942271   -3.462474     4    70
    75  H     -5.647218    3.566384   -5.986438     6    71
    76  H     -6.340358    5.205874   -5.714137     6    71
    77  N     -3.552939    4.906986   -7.070024     1    72    78    81
    78  CA    -2.269007    5.409380   -7.596827     2    77    79    82    83
    79  C     -1.189291    4.295106   -8.056244     3    78    80    84
    80  O     -0.137060    4.654515   -8.573026     5    79
    81  HN    -4.060164    4.310714   -7.750913     4    77
    82  H     -2.410670    6.054363   -8.501304     6    78
    83  H     -1.755019    6.054170   -6.827616     6    78
    84  N     -1.358872    2.939589   -7.758883     1    79    85    88
    85  CA    -0.426704    1.854435   -7.969351     2    84    86    89    90
    86  C      0.667375    1.815381   -6.800805     3    85    87    91
    87  O      0.640525    2.388727   -5.731331     5    86
    88  HN    -2.256143    2.558171   -7.452796     4    84
    89  H     -0.913591    0.792466   -8.181597     6    85
    90  H      0.105502    2.013186   -8.925648     6    85
    91  N      1.594301    0.844920   -7.044847   230    86    92    93
    92  C      2.585908    0.484953   -6.035680   232    91    94    95    96
    93  HN     1.680687    0.358703   -7.916684   231    91
    94  H      2.305715   -0.519418   -5.683776   233    92
    95  H      2.661455    1.249030   -5.177812   233    92
    96  H      3.605941    0.335717   -6.484736   233    92
96 12_Glycine
     1  C      3.788684   10.096921   14.483386   224     2     4     5     6
     2  C      5.169575   10.605383   14.179580   226     1     3     7
     3  O      6.201141   10.078062   14.629038   227     2
     4  H      3.926617    8.997287   14.757055   225     1
     5  H      3.222845   10.233934   13.525857   225     1
     6  H      3.331037   10.701815   15.263391   225     1
     7  N      5.125406   11.787487   13.439193     1     2     8    11
     8  CA     6.275350   12.593724   13.139756     2     7     9    12    13
     9  C      5.963269   14.068140   13.161371     3     8    10    14
    10  O      4.811015   14.422190   13.004392     5     9
    11  HN     4.216075   12.268727   13.281987     4     7
    12  H      7.083806   12.289263   13.802201     6     8
    13  H      6.573527   12.316472   12.032885     6     8
    14  N      6.988459   14.924461   13.124848     1     9    15    18
    15  CA     6.779893   16.345544   12.878967     2    14    16    19    20
    16  C      5.989102   16.741926   11.625969     3    15    17    21
    17  O      5.504440   15.957927   10.877792     5    16
    18  HN     7.954514   14.635395   13.253314     4    14
    19  H      6.132723   16.815028   13.759444     6    15
    20  H      7.773709   16.818565   12.756873     6    15
    21  N      5.765456   18.042301   11.540723     1    16    22    25
    22  CA     4.984395   18.628752   10.489881     2    21    23    26    27
    23  C      5.541806   20.000001   10.166644     3    22    24    28
    24  O      6.805509   20.207775   10.038551     5    23
    25  HN     6.187974   18.757857   12.157232     4    21
    26  H      5.164435   17.969208    9.601797     6    22
    27  H      3.906906   18.596919   10.655651     6    22
    28  N      4.610685   21.006016   10.183535     1    23    29    32
    29  CA     4.914260   22.341116    9.874834     2    28    30    33    34
    30  C      4.968841   22.750128    8.433080     3    29    31    35
    31  O      5.298663   21.890616    7.620152     5    30
    32  HN     3.596167   20.929383   10.367275     4    28
    33  H      4.171589   23.040010   10.341102     6    29
    34  H      5.884630   22.626033   10.342768     6    29
    35  N      4.602895   23.945555    7.985353     1    30    36    39
    36  CA     4.609811   24.405759    6.628646     2    35    37    40    41
    37  C      3.207547   24.479029    6.094986     3    36    38    42
    38  O      2.177569   24.368548    6.790821     5    37
    39  HN     4.181938   24.661252    8.606384     4    35
    40  H      5.120269   25.385163    6.566297     6    36
    41  H      5.194597   23.644427    6.041047     6    36
    42  N      3.107886   25.126880    4.867337     1    37    43    46
    43  CA     1.827678   25.641905    4.425219     2    42    44    47    48
    44  C      1.022501   24.913074    3.307860     3    43    45    49
    45  O      0.137443   25.525674    2.681303     5    44
    46  HN     3.869609   25.218669    4.167966     4    42
    47  H      1.111476   25.993504    5.276638     6    43
    48  H      2.116943   26.634032    4.077277     6    43
    49  N      1.451415   23.644226    3.000759     1    44    50    53
    50  CA     1.111664   22.861908    1.800303     2    49    51    54    55
    51  C      2.375675   22.786741    0.879946     3    50    52    56
    52  O      3.014240   23.743499    0.434658     5    51
    53  HN     2.054317   23.065813    3.664005     4    49
    54  H      0.761536   21.847729    2.046921     6    50
    55  H      0.239592   23.395274    1.296598     6    50
    56  N      2.695973   21.517458    0.557043     1    51    57    60
    57  CA     3.732080   21.061430   -0.350575     2    56    58    61    62
    58  C      3.255498   19.955858   -1.282537     3    57    59    63
    59  O      2.671887   20.317359   -2.266986     5    58
    60  HN     2.165953   20.763873    0.974270     4    56
    61  H      4.100552   21.920664   -0.972214     6    57
    62  H      4.684838   20.762391    0.235418     6    57
    63  N      3.532557   18.597739   -0.996853     1    58    64    67
    64  CA     3.104876   17.548749   -1.971875     2    63    65    68    69
    65  C      3.253679   16.139090   -1.475450     3    64    66    70
    66  O      3.275260   15.910689   -0.238894     5    65
    67  HN     3.868896   18.340959   -0.088940     4    63
    68  H      1.983708   17.520015   -2.167053     6    64
    69  H      3.591661   17.733910   -2.902823     6    64
    70  N      3.349955   15.176298   -2.353576     1    65    71    74
    71  CA     3.588417   13.802725   -2.067601     2    70    72    75    76
    72  C      5.117333   13.534195   -1.850311     3    71    73    77
    73  O      6.034646   14.287828   -2.196195     5    72
    74  HN     3.428542   15.396315   -3.386680     4    70
    75  H      2.785616   13.369347   -1.396282     6    71
    76  H      3.483302   13.188371   -3.010717     6    71
    77  N      5.344639   12.362751   -1.167647     1    72    78    81
    78  CA     6.654409   11.816429   -0.742880     2    77    79    82    83
    79  C      7.000776   12.462643    0.580113     3    78    80    84
    80  O      6.291515   13.344157    1.113666     5    79
    81  HN     4.523036   11.737987   -1.054523     4    77
    82  H      6.568818   10.687299   -0.606637     6    78
    83  H      7.392693   11.957205   -1.526018     6    78
    84  N      8.219760   12.030483    1.070206     1    79    85    88
    85  CA     8.799840   12.664369    2.246308     2    84    86    89    90
    86  C      9.322629   11.581278    3.279667     3    85    87    91
    87  O      8.859552   10.448602    3.251145     5    86
    88  HN     8.807993   11.272811    0.673314     4    84
    89  H      9.577473   13.476753    2.031009     6    85
    90  H      8.111500   13.263371    2.810274     6    85
    91  N     10.335939   11.968869    4.084988   230    86    92    93
    92  C     11.187367   11.256564    5.063210   232    91    94    95    96
    93  HN    10.774583   12.869028    3.802769   231    91
    94  H     12.216584   11.607304    5.234778   233    92
    95  H     11.328942   10.183422    4.704340   233    92
    96  H     10.677986   11.306955    6.114920   233    92
96 12_Glycine
     1  C      1.096961    7.009240    0.515004   224     2     4     5     6
     2  C     -0.148028    6.696140    1.324881   226     1     3     7
     3  O     -0.362933    7.272062    2.387110   227     2
     4  H      1.093003    7.974879   -0.017667   225     1
     5  H      1.358610    6.257046   -0.238066   225     1
     6  H      1.821937    7.120633    1.386166   225     1
     7  N     -1.031264    5.887341    0.772883     1     2     8    11
     8  CA    -2.300055    5.587767    1.371262     2     7     9    12    13
     9  C     -2.882269    4.222844    0.723753     3     8    10    14
    10  O     -2.144694    3.268602    0.560237     5     9
    11  HN    -0.908468    5.520122   -0.153084     4     7
    12  H     -2.153907    5.272629    2.456500     6     8
    13  H     -3.049430    6.365792    1.370023     6     8
    14  N     -4.217859    4.124945    0.689450     1     9    15    18
    15  CA    -5.039888    2.911654    0.389809     2    14    16    19    20
    16  C     -5.616991    2.371687    1.671036     3    15    17    21
    17  O     -5.431881    2.957516    2.801528     5    16
    18  HN    -4.658492    4.936057    1.027309     4    14
    19  H     -5.835792    3.376201   -0.278973     6    15
    20  H     -4.420161    2.103894   -0.005001     6    15
    21  N     -6.319852    1.213756    1.642522     1    16    22    25
    22  CA    -6.977518    0.434563    2.725014     2    21    23    26    27
    23  C     -6.294692   -0.906550    3.087267     3    22    24    28
    24  O     -6.789138   -1.607658    3.962728     5    23
    25  HN    -6.459998    0.844926    0.665446     4    21
    26  H     -7.138486    1.034756    3.694641     6    22
    27  H     -7.915342    0.178415    2.299668     6    22
    28  N     -5.210158   -1.293413    2.411105     1    23    29    32
    29  CA    -4.510553   -2.570562    2.706876     2    28    30    33    34
    30  C     -4.711260   -3.731078    1.762384     3    29    31    35
    31  O     -4.293097   -4.857013    2.028425     5    30
    32  HN    -4.928459   -0.856711    1.536923     4    28
    33  H     -3.417092   -2.253154    2.752059     6    29
    34  H     -4.775990   -3.042789    3.680283     6    29
    35  N     -5.386557   -3.532838    0.605485     1    30    36    39
    36  CA    -5.466824   -4.460528   -0.501423     2    35    37    40    41
    37  C     -4.362099   -4.276774   -1.517811     3    36    38    42
    38  O     -3.564456   -3.345691   -1.438506     5    37
    39  HN    -5.962269   -2.728154    0.462435     4    35
    40  H     -5.451580   -5.557903   -0.176698     6    36
    41  H     -6.357976   -4.321318   -1.102691     6    36
    42  N     -4.272964   -5.183115   -2.512265     1    37    43    46
    43  CA    -3.293777   -5.078148   -3.565088     2    42    44    47    48
    44  C     -2.361325   -6.305788   -3.732247     3    43    45    49
    45  O     -1.224152   -6.264044   -4.348969     5    44
    46  HN    -4.978377   -5.913051   -2.738568     4    42
    47  H     -3.867239   -5.007385   -4.539607     6    43
    48  H     -2.818525   -4.062667   -3.495714     6    43
    49  N     -2.744460   -7.464509   -3.117146     1    44    50    53
    50  CA    -2.023819   -8.725027   -3.180616     2    49    51    54    55
    51  C     -2.635700   -9.678957   -2.118088     3    50    52    56
    52  O     -3.776946  -10.035243   -2.316233     5    51
    53  HN    -3.574708   -7.501938   -2.502601     4    49
    54  H     -2.131045   -9.257376   -4.211965     6    50
    55  H     -0.889437   -8.640497   -2.897141     6    50
    56  N     -1.838114  -10.083086   -1.086827     1    51    57    60
    57  CA    -2.168491  -11.074759   -0.043910     2    56    58    61    62
    58  C     -2.696898  -10.434539    1.247419     3    57    59    63
    59  O     -1.915956  -10.246135    2.201366     5    58
    60  HN    -0.878463   -9.815827   -1.084442     4    56
    61  H     -2.895651  -11.849698   -0.359268     6    57
    62  H     -1.246210  -11.643535    0.070056     6    57
    63  N     -3.945018   -9.997376    1.234831     1    58    64    67
    64  CA    -4.578268   -9.260897    2.365629     2    63    65    68    69
    65  C     -5.769980   -8.395786    1.906220     3    64    66    70
    66  O     -5.626707   -7.609751    1.005945     5    65
    67  HN    -4.567532  -10.044971    0.411987     4    63
    68  H     -4.788773  -10.024373    3.123662     6    64
    69  H     -3.772521   -8.554720    2.631071     6    64
    70  N     -6.966106   -8.544744    2.608474     1    65    71    74
    71  CA    -8.149455   -7.749535    2.387220     2    70    72    75    76
    72  C     -8.113721   -6.311667    2.923037     3    71    73    77
    73  O     -7.372388   -5.982024    3.897792     5    72
    74  HN    -6.979864   -9.161526    3.465247     4    70
    75  H     -8.298731   -7.741439    1.265934     6    71
    76  H     -9.039539   -8.281452    2.809693     6    71
    77  N     -8.998718   -5.410563    2.394915     1    72    78    81
    78  CA    -9.231799   -4.018532    2.818513     2    77    79    82    83
    79  C     -9.155863   -2.858340    1.806501     3    78    80    84
    80  O     -9.558786   -1.752117    2.133783     5    79
    81  HN    -9.402105   -5.570358    1.482984     4    77
    82  H    -10.273655   -3.902114    3.302485     6    78
    83  H     -8.436862   -3.831476    3.643570     6    78
    84  N     -8.778029   -3.120183    0.536826     1    79    85    88
    85  CA    -8.966442   -2.202302   -0.538655     2    84    86    89    90
    86  C     -7.986989   -1.142515   -0.767610     3    85    87    91
    87  O     -6.982841   -1.014986   -0.093194     5    86
    88  HN    -8.475120   -4.056328    0.263219     4    84
    89  H     -9.003404   -2.747999   -1.475327     6    85
    90  H     -9.989835   -1.696862   -0.504819     6    85
    91  N     -8.202529   -0.355140   -1.862436   230    86    92    93
    92  C     -7.348835    0.653763   -2.422009   232    91    94    95    96
    93  HN    -9.098258   -0.382500   -2.413063   231    91
    94  H     -6.319867    0.333938   -2.178498   233    92
    95  H     -7.632493    1.629754   -1.939278   233    92
    96  H     -7.451521    0.638852   -3.569656   233    92
96 12_Glycine
     1  C      9.244964   -4.361506   -8.252174   224     2     4     5     6
     2  C     10.051805   -3.393195   -7.458837   226     1     3     7
     3  O     10.373644   -2.318839   -7.970035   227     2
     4  H      9.648233   -5.454467   -8.400233   225     1
     5  H      9.145643   -3.850427   -9.218291   225     1
     6  H      8.251432   -4.526362   -7.791833   225     1
     7  N     10.332090   -3.789034   -6.199215     1     2     8    11
     8  CA    10.976974   -2.997002   -5.231397     2     7     9    12    13
     9  C      9.967870   -2.058365   -4.522764     3     8    10    14
    10  O      8.771636   -2.285781   -4.542079     5     9
    11  HN     9.892710   -4.648878   -5.798493     4     7
    12  H     11.505831   -3.662666   -4.514162     6     8
    13  H     11.750230   -2.375481   -5.736345     6     8
    14  N     10.453974   -1.002156   -3.846274     1     9    15    18
    15  CA     9.784814   -0.286259   -2.764078     2    14    16    19    20
    16  C     10.379861   -0.507721   -1.367645     3    15    17    21
    17  O     11.166318   -1.455684   -1.194316     5    16
    18  HN    11.439194   -0.890667   -3.813317     4    14
    19  H      9.852737    0.795406   -2.939240     6    15
    20  H      8.715691   -0.500702   -2.852757     6    15
    21  N      9.943712    0.271904   -0.387488     1    16    22    25
    22  CA    10.506324    0.254817    0.920233     2    21    23    26    27
    23  C     10.424526    1.693449    1.587301     3    22    24    28
    24  O     10.588668    2.766232    0.965134     5    23
    25  HN     9.380688    1.123118   -0.533015     4    21
    26  H      9.920352   -0.493537    1.573614     6    22
    27  H     11.530396   -0.172616    0.993425     6    22
    28  N     10.127921    1.672079    2.957494     1    23    29    32
    29  CA     9.917481    2.828244    3.817186     2    28    30    33    34
    30  C      8.635816    3.480031    3.393007     3    29    31    35
    31  O      7.585764    2.843346    3.117429     5    30
    32  HN    10.099987    0.840317    3.541515     4    28
    33  H      9.978356    2.524796    4.875697     6    29
    34  H     10.689276    3.545816    3.719815     6    29
    35  N      8.591053    4.847639    3.349425     1    30    36    39
    36  CA     7.511828    5.639443    2.794314     2    35    37    40    41
    37  C      6.372830    5.754985    3.898830     3    36    38    42
    38  O      6.584793    5.731412    5.111837     5    37
    39  HN     9.386087    5.453165    3.656454     4    35
    40  H      7.853959    6.638957    2.568573     6    36
    41  H      7.119506    5.246532    1.806805     6    36
    42  N      5.130495    5.927077    3.403354     1    37    43    46
    43  CA     3.964619    5.878946    4.208547     2    42    44    47    48
    44  C      2.586034    5.308380    3.687391     3    43    45    49
    45  O      1.444667    5.857431    3.953996     5    44
    46  HN     5.031438    6.183198    2.393914     4    42
    47  H      4.180605    5.254534    5.147793     6    43
    48  H      3.756179    6.936837    4.595976     6    43
    49  N      2.699423    4.212536    2.918410     1    44    50    53
    50  CA     1.616362    3.400959    2.402633     2    49    51    54    55
    51  C      1.769231    2.718031    1.066627     3    50    52    56
    52  O      0.762197    2.236428    0.505147     5    51
    53  HN     3.684180    3.996788    2.554270     4    49
    54  H      1.536933    2.521623    3.108782     6    50
    55  H      0.545919    3.777550    2.490028     6    50
    56  N      2.961253    2.696289    0.398384     1    51    57    60
    57  CA     3.304630    1.994746   -0.852768     2    56    58    61    62
    58  C      3.759203    0.596126   -0.653447     3    57    59    63
    59  O      3.804323    0.033661    0.456330     5    58
    60  HN     3.816279    3.088666    0.829527     4    56
    61  H      2.557043    2.005088   -1.692580     6    57
    62  H      4.088099    2.643351   -1.283483     6    57
    63  N      4.092567   -0.086474   -1.729336     1    58    64    67
    64  CA     4.365754   -1.518285   -1.671750     2    63    65    68    69
    65  C      5.899399   -1.721711   -1.648081     3    64    66    70
    66  O      6.715283   -0.814737   -1.576421     5    65
    67  HN     3.868510    0.294921   -2.694937     4    63
    68  H      3.894240   -1.939062   -0.717169     6    64
    69  H      3.821716   -2.011984   -2.610255     6    64
    70  N      6.303985   -3.002111   -1.484685     1    65    71    74
    71  CA     7.658275   -3.392242   -1.539368     2    70    72    75    76
    72  C      7.862907   -4.675959   -2.337104     3    71    73    77
    73  O      7.413448   -4.761999   -3.507099     5    72
    74  HN     5.593325   -3.729561   -1.645218     4    70
    75  H      8.317750   -2.670009   -2.125123     6    71
    76  H      8.243749   -3.335064   -0.506276     6    71
    77  N      8.562533   -5.646475   -1.721979     1    72    78    81
    78  CA     8.798874   -6.935356   -2.355433     2    77    79    82    83
    79  C     10.030941   -7.618302   -1.755005     3    78    80    84
    80  O     10.185630   -8.820587   -1.890171     5    79
    81  HN     8.801292   -5.494451   -0.750204     4    77
    82  H      7.829773   -7.570708   -2.247695     6    78
    83  H      8.909052   -6.740688   -3.437094     6    78
    84  N     11.093484   -6.808863   -1.404342     1    79    85    88
    85  CA    12.365922   -7.379691   -0.941852     2    84    86    89    90
    86  C     12.276910   -8.142008    0.301417     3    85    87    91
    87  O     11.513116   -7.726110    1.226375     5    86
    88  HN    11.105918   -5.825209   -1.686982     4    84
    89  H     12.884576   -7.836070   -1.802292     6    85
    90  H     12.939330   -6.485120   -0.661345     6    85
    91  N     13.104978   -9.181730    0.488363   230    86    92    93
    92  C     13.191955   -9.926099    1.688764   232    91    94    95    96
    93  HN    13.821403   -9.539753   -0.223787   231    91
    94  H     12.365160   -9.748558    2.377230   233    92
    95  H     14.166207   -9.702014    2.112299   233    92
    96  H     13.110292  -10.994553    1.432698   233    92
96 12_Glycine
     1  C     -6.019601    0.065812   20.805544   224     2     4     5     6
     2  C     -4.856540    0.897800   20.282615   226     1     3     7
     3  O     -4.776536    1.259415   19.106557   227     2
     4  H     -5.735832   -0.268237   21.870931   225     1
     5  H     -6.138100   -0.846489   20.165048   225     1
     6  H     -7.050831    0.657511   20.891413   225     1
     7  N     -3.878434    1.136365   21.179960     1     2     8    11
     8  CA    -2.546975    1.784428   20.833278     2     7     9    12    13
     9  C     -1.348359    0.945048   21.244680     3     8    10    14
    10  O     -1.382896   -0.288637   21.059067     5     9
    11  HN    -3.943484    0.802333   22.156677     4     7
    12  H     -2.401582    1.883323   19.757984     6     8
    13  H     -2.439371    2.809374   21.243136     6     8
    14  N     -0.232847    1.591304   21.729366     1     9    15    18
    15  CA     1.033590    1.002078   22.137456     2    14    16    19    20
    16  C      2.281638    1.614700   21.589184     3    15    17    21
    17  O      3.276394    1.598793   22.303483     5    16
    18  HN    -0.204317    2.625614   21.706116     4    14
    19  H      1.087715    1.084002   23.287713     6    15
    20  H      1.090694   -0.018189   21.797681     6    15
    21  N      2.193950    2.218746   20.374349     1    16    22    25
    22  CA     3.375949    2.876523   19.688520     2    21    23    26    27
    23  C      3.421899    2.578254   18.188261     3    22    24    28
    24  O      2.725558    1.700702   17.653340     5    23
    25  HN     1.254927    2.181398   19.891947     4    21
    26  H      3.340528    3.992258   19.853242     6    22
    27  H      4.361366    2.559858   19.997334     6    22
    28  N      4.341097    3.200098   17.477017     1    23    29    32
    29  CA     4.716020    2.972210   16.113168     2    28    30    33    34
    30  C      5.511058    1.607526   15.859065     3    29    31    35
    31  O      6.092620    0.978013   16.779555     5    30
    32  HN     4.956089    3.930624   17.909220     4    28
    33  H      3.907751    3.130492   15.442792     6    29
    34  H      5.489045    3.713415   15.875663     6    29
    35  N      5.841430    1.428529   14.571766     1    30    36    39
    36  CA     6.625022    0.314540   14.084422     2    35    37    40    41
    37  C      6.893675    0.244913   12.571501     3    36    38    42
    38  O      7.962928   -0.169212   12.071646     5    37
    39  HN     5.485428    2.139141   13.887009     4    35
    40  H      7.620939    0.274281   14.545578     6    36
    41  H      6.203364   -0.642283   14.453904     6    36
    42  N      5.929322    0.754838   11.738369     1    37    43    46
    43  CA     6.058573    0.945891   10.325288     2    42    44    47    48
    44  C      5.002346    1.900718    9.636360     3    43    45    49
    45  O      4.546181    1.629598    8.502245     5    44
    46  HN     4.929939    0.839975   12.043654     4    42
    47  H      6.991323    1.436324    9.944800     6    43
    48  H      6.124066   -0.086603    9.809613     6    43
    49  N      4.513257    2.980265   10.362571     1    44    50    53
    50  CA     3.515907    4.016622    9.997727     2    49    51    54    55
    51  C      2.073524    3.708618   10.494357     3    50    52    56
    52  O      1.829290    2.762929   11.250575     5    51
    53  HN     4.987874    3.168122   11.269381     4    49
    54  H      3.759297    5.058756   10.471175     6    50
    55  H      3.459335    4.021379    8.886464     6    50
    56  N      1.108911    4.611350   10.148459     1    51    57    60
    57  CA    -0.302154    4.572027   10.304608     2    56    58    61    62
    58  C     -0.759028    4.732200   11.714645     3    57    59    63
    59  O     -0.209798    5.614797   12.410971     5    58
    60  HN     1.393060    5.481768    9.598521     4    56
    61  H     -0.824188    5.269257    9.624182     6    57
    62  H     -0.659099    3.520209   10.062746     6    57
    63  N     -1.812053    4.007330   12.109829     1    58    64    67
    64  CA    -2.289011    4.110860   13.517896     2    63    65    68    69
    65  C     -1.174522    3.546523   14.424285     3    64    66    70
    66  O     -0.253245    2.843251   13.937616     5    65
    67  HN    -2.345641    3.405111   11.434197     4    63
    68  H     -2.636716    5.142458   13.673293     6    64
    69  H     -3.084819    3.339058   13.550453     6    64
    70  N     -1.380573    3.647146   15.717976     1    65    71    74
    71  CA    -0.500136    3.253032   16.788216     2    70    72    75    76
    72  C     -0.496223    4.124378   18.115862     3    71    73    77
    73  O     -0.202879    3.601730   19.178726     5    72
    74  HN    -2.288885    3.918102   15.969918     4    70
    75  H     -0.850608    2.230283   17.151267     6    71
    76  H      0.547470    3.085890   16.333572     6    71
    77  N     -0.953828    5.369809   18.036070     1    72    78    81
    78  CA    -1.102804    6.187543   19.243889     2    77    79    82    83
    79  C      0.266950    6.568219   19.884612     3    78    80    84
    80  O      1.269312    6.524762   19.173821     5    79
    81  HN    -1.192343    5.721777   17.128375     4    77
    82  H     -1.668184    7.088592   18.915948     6    78
    83  H     -1.745256    5.574934   19.878548     6    78
    84  N      0.300315    6.864506   21.209274     1    79    85    88
    85  CA     1.460054    7.376669   21.883888     2    84    86    89    90
    86  C      2.314139    6.296785   22.530686     3    85    87    91
    87  O      1.908772    5.126571   22.588227     5    86
    88  HN    -0.605822    6.982030   21.694615     4    84
    89  H      2.067781    8.104378   21.325764     6    85
    90  H      1.121961    7.979580   22.776657     6    85
    91  N      3.486468    6.725512   23.089230   230    86    92    93
    92  C      4.271069    5.862971   23.909009   232    91    94    95    96
    93  HN     3.600503    7.749668   23.093670   231    91
    94  H      5.379037    5.882239   23.720174   233    92
    95  H      4.035397    4.796611   23.698743   233    92
    96  H      4.075322    6.140639   25.008535   233    92
96 12_Glycine
     1  C    -17.349955   -8.435787   -1.196698   224     2     4     5     6
     2  C    -17.254730   -9.337661    0.030318   226     1     3     7
     3  O    -16.115403   -9.770744    0.354580   227     2
     4  H    -16.715913   -8.938849   -2.014656   225     1
     5  H    -16.988414   -7.391160   -1.176591   225     1
     6  H    -18.375971   -8.491599   -1.543452   225     1
     7  N    -18.356930   -9.554817    0.721234     1     2     8    11
     8  CA   -18.385266  -10.451607    1.833425     2     7     9    12    13
     9  C    -18.066173  -11.900796    1.371054     3     8    10    14
    10  O    -18.576910  -12.368683    0.292801     5     9
    11  HN   -19.211766   -9.057303    0.430973     4     7
    12  H    -17.694523  -10.040233    2.607649     6     8
    13  H    -19.382228  -10.492595    2.271723     6     8
    14  N    -17.323881  -12.680790    2.181170     1     9    15    18
    15  CA   -16.897075  -14.151796    2.008083     2    14    16    19    20
    16  C    -17.383173  -15.198722    2.963028     3    15    17    21
    17  O    -17.319765  -16.386467    2.670635     5    16
    18  HN   -16.879629  -12.256581    3.020397     4    14
    19  H    -17.118343  -14.407398    0.962071     6    15
    20  H    -15.754937  -14.252507    2.152784     6    15
    21  N    -18.066936  -14.771873    4.046488     1    16    22    25
    22  CA   -18.667860  -15.578041    5.046068     2    21    23    26    27
    23  C    -19.658121  -14.801615    5.818564     3    22    24    28
    24  O    -20.458569  -13.987460    5.300766     5    23
    25  HN   -18.073752  -13.745307    4.253556     4    21
    26  H    -19.289133  -16.377936    4.516945     6    22
    27  H    -18.004378  -16.033003    5.767534     6    22
    28  N    -19.709248  -14.998255    7.162341     1    23    29    32
    29  CA   -20.683034  -14.649684    8.157974     2    28    30    33    34
    30  C    -20.072768  -13.791747    9.276015     3    29    31    35
    31  O    -20.840523  -12.970455    9.799266     5    30
    32  HN   -18.969152  -15.592277    7.568444     4    28
    33  H    -21.556971  -14.165823    7.818928     6    29
    34  H    -21.100392  -15.579104    8.561939     6    29
    35  N    -18.780699  -14.065010    9.615286     1    30    36    39
    36  CA   -18.169550  -13.254043   10.665497     2    35    37    40    41
    37  C    -17.162201  -14.120017   11.476485     3    36    38    42
    38  O    -17.270803  -15.355625   11.699234     5    37
    39  HN   -18.188040  -14.813203    9.206003     4    35
    40  H    -17.653730  -12.417625   10.126022     6    36
    41  H    -18.893655  -12.776421   11.357476     6    36
    42  N    -16.252221  -13.377869   12.083301     1    37    43    46
    43  CA   -15.239109  -13.981380   12.964506     2    42    44    47    48
    44  C    -13.940549  -13.272069   13.130258     3    43    45    49
    45  O    -12.980745  -13.633157   13.831047     5    44
    46  HN   -16.092758  -12.392424   11.947362     4    42
    47  H    -15.740318  -14.101607   13.944845     6    43
    48  H    -15.067121  -15.037810   12.643093     6    43
    49  N    -13.804969  -12.126378   12.420507     1    44    50    53
    50  CA   -12.622631  -11.338772   12.426061     2    49    51    54    55
    51  C    -12.593069  -10.373636   11.305721     3    50    52    56
    52  O    -13.539229  -10.232999   10.513170     5    51
    53  HN   -14.555459  -11.441071   12.126912     4    49
    54  H    -12.560566  -10.773328   13.402448     6    50
    55  H    -11.720577  -11.972350   12.480298     6    50
    56  N    -11.516098   -9.559450   11.235339     1    51    57    60
    57  CA   -11.421349   -8.625338   10.181914     2    56    58    61    62
    58  C    -11.251195   -9.323823    8.815574     3    57    59    63
    59  O    -10.780534  -10.470476    8.753060     5    58
    60  HN   -10.712763   -9.531230   11.834174     4    56
    61  H    -12.355653   -8.081417   10.019736     6    57
    62  H    -10.569282   -7.870824   10.406270     6    57
    63  N    -11.381562   -8.553806    7.721924     1    58    64    67
    64  CA   -11.318905   -9.020390    6.344163     2    63    65    68    69
    65  C    -12.695022   -9.303177    5.686326     3    64    66    70
    66  O    -12.720300   -9.898486    4.591372     5    65
    67  HN   -11.587760   -7.570959    7.900466     4    63
    68  H    -10.878265   -8.158173    5.740376     6    64
    69  H    -10.669843   -9.886834    6.179242     6    64
    70  N    -13.792838   -9.053576    6.451771     1    65    71    74
    71  CA   -15.182726   -9.324831    6.121286     2    70    72    75    76
    72  C    -15.728857   -7.988572    5.604785     3    71    73    77
    73  O    -15.253522   -7.475124    4.621173     5    72
    74  HN   -13.644886   -8.279059    7.145071     4    70
    75  H    -15.197225  -10.155291    5.373106     6    71
    76  H    -15.761349   -9.603508    7.034802     6    71
    77  N    -16.742122   -7.303198    6.293518     1    72    78    81
    78  CA   -17.325033   -6.160860    5.579433     2    77    79    82    83
    79  C    -18.388314   -6.504015    4.618114     3    78    80    84
    80  O    -19.125263   -7.533073    4.820324     5    79
    81  HN   -17.088311   -7.566476    7.218987     4    77
    82  H    -17.891881   -5.549372    6.287165     6    78
    83  H    -16.501515   -5.511691    5.257210     6    78
    84  N    -18.447663   -5.877328    3.457012     1    79    85    88
    85  CA   -19.477097   -6.145428    2.459380     2    84    86    89    90
    86  C    -20.804745   -5.368498    2.787657     3    85    87    91
    87  O    -20.867427   -4.539139    3.705443     5    86
    88  HN   -17.859153   -5.088239    3.180796     4    84
    89  H    -19.128805   -5.918147    1.438543     6    85
    90  H    -19.691105   -7.247029    2.405794     6    85
    91  N    -21.845657   -5.623852    1.972601   230    86    92    93
    92  C    -23.237477   -5.076310    2.223442   232    91    94    95    96
    93  HN   -21.726747   -6.071405    1.018773   231    91
    94  H    -23.402545   -3.987914    2.160942   233    92
    95  H    -23.777634   -5.297752    3.196413   233    92
    96  H    -24.039874   -5.586097    1.560665   233    92
96 12_Glycine
     1  C     12.884283   -4.128258   -6.693417   224     2     4     5     6
     2  C     12.957292   -2.745231   -7.310129   226     1     3     7
     3  O     13.982836   -2.226861   -7.730142   227     2
     4  H     13.541126   -4.795814   -7.299585   225     1
     5  H     11.759568   -4.570202   -6.745556   225     1
     6  H     13.247411   -4.049320   -5.626333   225     1
     7  N     11.715733   -2.178847   -7.584992     1     2     8    11
     8  CA    11.578823   -0.931214   -8.315726     2     7     9    12    13
     9  C     10.809180    0.161545   -7.590068     3     8    10    14
    10  O     10.127256    0.997965   -8.187290     5     9
    11  HN    10.808717   -2.577180   -7.325320     4     7
    12  H     12.589968   -0.553417   -8.599921     6     8
    13  H     10.932005   -1.171131   -9.218375     6     8
    14  N     10.832023    0.049427   -6.252461     1     9    15    18
    15  CA     9.951260    0.647845   -5.266077     2    14    16    19    20
    16  C      9.673626   -0.414482   -4.181006     3    15    17    21
    17  O     10.066047   -1.565533   -4.294365     5    16
    18  HN    11.483537   -0.634717   -5.845810     4    14
    19  H     10.457521    1.536610   -4.743344     6    15
    20  H      8.943300    0.920264   -5.652809     6    15
    21  N      9.143140    0.001973   -3.020990     1    16    22    25
    22  CA     8.889203   -0.761886   -1.817961     2    21    23    26    27
    23  C      9.690107   -0.368086   -0.544297     3    22    24    28
    24  O     10.808142   -0.936859   -0.450279     5    23
    25  HN     8.733772    0.958040   -2.930888     4    21
    26  H      7.830130   -0.875001   -1.567711     6    22
    27  H      9.339336   -1.781546   -1.909018     6    22
    28  N      9.097560    0.437115    0.405991     1    23    29    32
    29  CA     9.725849    1.034143    1.625053     2    28    30    33    34
    30  C      9.759850    2.546680    1.641206     3    29    31    35
    31  O     10.242707    3.155903    0.640552     5    30
    32  HN     8.166164    0.818869    0.292882     4    28
    33  H      9.289592    0.593675    2.565640     6    29
    34  H     10.834454    0.756704    1.704490     6    29
    35  N      9.180701    3.062537    2.758838     1    30    36    39
    36  CA     9.069798    4.507500    3.098456     2    35    37    40    41
    37  C      7.762078    4.802632    3.774568     3    36    38    42
    38  O      7.524038    5.863926    4.498862     5    37
    39  HN     8.981038    2.471386    3.615549     4    35
    40  H     10.040157    4.881840    3.572534     6    36
    41  H      9.052394    5.211255    2.162419     6    36
    42  N      6.718944    3.967973    3.522560     1    37    43    46
    43  CA     5.369939    4.040127    4.099509     2    42    44    47    48
    44  C      4.335954    4.626380    3.166755     3    43    45    49
    45  O      4.636082    5.539202    2.358790     5    44
    46  HN     6.847470    3.176148    2.913106     4    42
    47  H      5.008417    3.060145    4.436238     6    43
    48  H      5.354159    4.581073    5.079368     6    43
    49  N      3.119728    4.072145    3.181437     1    44    50    53
    50  CA     2.028988    4.425066    2.340515     2    49    51    54    55
    51  C      2.091126    3.857259    0.885354     3    50    52    56
    52  O      1.325409    4.388862    0.049215     5    51
    53  HN     2.770051    3.425031    3.886634     4    49
    54  H      1.029401    4.088538    2.726568     6    50
    55  H      2.034858    5.494970    2.311638     6    50
    56  N      2.873958    2.796411    0.548110     1    51    57    60
    57  CA     2.965296    2.071336   -0.701854     2    56    58    61    62
    58  C      2.670842    0.576156   -0.428621     3    57    59    63
    59  O      2.354444    0.090079    0.656522     5    58
    60  HN     3.371279    2.297085    1.277872     4    56
    61  H      2.276361    2.552506   -1.423078     6    57
    62  H      3.999135    2.213915   -1.258392     6    57
    63  N      2.995533   -0.191619   -1.479660     1    58    64    67
    64  CA     3.141771   -1.650183   -1.425574     2    63    65    68    69
    65  C      4.504149   -1.888771   -0.883554     3    64    66    70
    66  O      5.489668   -1.090919   -0.987482     5    65
    67  HN     3.196708    0.264976   -2.384142     4    63
    68  H      2.315806   -2.025056   -0.737738     6    64
    69  H      2.970552   -2.016914   -2.473951     6    64
    70  N      4.654109   -3.110151   -0.384259     1    65    71    74
    71  CA     5.909373   -3.653774    0.004804     2    70    72    75    76
    72  C      6.617478   -4.376851   -1.146134     3    71    73    77
    73  O      6.454623   -4.174979   -2.347937     5    72
    74  HN     3.846104   -3.731591   -0.191390     4    70
    75  H      6.544932   -2.781001    0.335419     6    71
    76  H      5.863331   -4.387276    0.842313     6    71
    77  N      7.652302   -5.194513   -0.791038     1    72    78    81
    78  CA     8.539271   -5.970539   -1.635952     2    77    79    82    83
    79  C      9.219251   -7.155766   -0.909071     3    78    80    84
    80  O      8.573626   -7.990634   -0.273545     5    79
    81  HN     7.782051   -5.453848    0.187324     4    77
    82  H      8.045739   -6.473445   -2.499425     6    78
    83  H      9.317624   -5.233660   -1.951770     6    78
    84  N     10.526121   -7.334705   -1.203511     1    79    85    88
    85  CA    11.432306   -8.314738   -0.727455     2    84    86    89    90
    86  C     12.563572   -7.540693   -0.007650     3    85    87    91
    87  O     12.339922   -6.588826    0.765736     5    86
    88  HN    10.972228   -6.608671   -1.727534     4    84
    89  H     11.037122   -8.987039    0.007004     6    85
    90  H     11.836072   -8.783184   -1.661579     6    85
    91  N     13.886366   -7.896854   -0.196640   230    86    92    93
    92  C     15.130984   -7.329083    0.267634   232    91    94    95    96
    93  HN    14.100782   -8.773430   -0.714675   231    91
    94  H     16.028003   -7.944903    0.085443   233    92
    95  H     15.181260   -7.172520    1.331135   233    92
    96  H     15.314270   -6.374885   -0.191774   233    92
96 12_Glycine
     1  C      5.574041    9.403849  -20.905808   224     2     4     5     6
     2  C      4.627382    9.683472  -19.807249   226     1     3     7
     3  O      5.008335   10.441877  -18.860013   227     2
     4  H      6.389535   10.211044  -21.088589   225     1
     5  H      4.934806    9.178601  -21.862216   225     1
     6  H      6.130513    8.460945  -20.695707   225     1
     7  N      3.420788    9.098008  -19.777347     1     2     8    11
     8  CA     2.308574    9.416850  -18.939742     2     7     9    12    13
     9  C      1.044554    9.466412  -19.703632     3     8    10    14
    10  O      0.440516    8.444331  -20.072613     5     9
    11  HN     3.263374    8.440216  -20.500942     4     7
    12  H      2.328225    8.613600  -18.163474     6     8
    13  H      2.601281   10.334987  -18.253328     6     8
    14  N      0.598294   10.736247  -20.045856     1     9    15    18
    15  CA    -0.559318   10.910079  -20.926415     2    14    16    19    20
    16  C     -1.591148   12.044849  -20.489609     3    15    17    21
    17  O     -1.440806   12.648548  -19.426685     5    16
    18  HN     1.022855   11.657451  -19.844861     4    14
    19  H     -0.208179   11.116511  -21.935519     6    15
    20  H     -1.152539    9.979592  -21.046608     6    15
    21  N     -2.661850   12.252656  -21.313066     1    16    22    25
    22  CA    -3.705290   13.309061  -21.081442     2    21    23    26    27
    23  C     -5.267267   13.055292  -21.148995     3    22    24    28
    24  O     -6.043359   14.032353  -21.140149     5    23
    25  HN    -2.748870   11.594884  -22.039441     4    21
    26  H     -3.552621   13.731495  -20.087259     6    22
    27  H     -3.480677   14.184637  -21.803703     6    22
    28  N     -5.720575   11.764891  -21.413742     1    23    29    32
    29  CA    -7.041959   11.246768  -21.675002     2    28    30    33    34
    30  C     -7.473501   10.270314  -20.593397     3    29    31    35
    31  O     -7.321347   10.411105  -19.351029     5    30
    32  HN    -5.037349   10.989437  -21.532856     4    28
    33  H     -7.878924   12.077410  -21.721835     6    29
    34  H     -6.919744   10.712395  -22.595409     6    29
    35  N     -8.164866    9.177435  -21.014645     1    30    36    39
    36  CA    -8.771267    8.057182  -20.252876     2    35    37    40    41
    37  C    -10.192107    7.724820  -20.598258     3    36    38    42
    38  O    -10.834488    8.263165  -21.462861     5    37
    39  HN    -8.311502    9.043125  -22.020325     4    35
    40  H     -8.047126    7.123527  -20.333846     6    36
    41  H     -8.830426    8.374959  -19.201420     6    36
    42  N    -10.646344    6.629742  -19.898983     1    37    43    46
    43  CA   -11.997363    6.070716  -20.133952     2    42    44    47    48
    44  C    -12.499464    4.811920  -19.402025     3    43    45    49
    45  O    -13.536962    4.792732  -18.799168     5    44
    46  HN   -10.088133    6.410102  -19.013578     4    42
    47  H    -12.810352    6.818170  -19.937055     6    43
    48  H    -12.200715    5.741045  -21.192834     6    43
    49  N    -11.637456    3.801341  -19.298505     1    44    50    53
    50  CA   -11.706500    2.630319  -18.466563     2    49    51    54    55
    51  C    -11.092475    1.285487  -18.926674     3    50    52    56
    52  O    -11.302910    0.246856  -18.224148     5    51
    53  HN   -10.959584    3.774083  -20.104433     4    49
    54  H    -11.362744    2.918152  -17.418206     6    50
    55  H    -12.782570    2.393139  -18.377161     6    50
    56  N    -10.348631    1.191693  -20.020213     1    51    57    60
    57  CA    -9.873427   -0.084703  -20.639606     2    56    58    61    62
    58  C     -8.475769   -0.409919  -20.190986     3    57    59    63
    59  O     -8.026920   -0.135422  -19.057621     5    58
    60  HN    -9.794123    2.027209  -20.220639     4    56
    61  H    -10.511392   -0.944072  -20.479295     6    57
    62  H     -9.859188    0.121376  -21.740088     6    57
    63  N     -7.849070   -1.311825  -20.949830     1    58    64    67
    64  CA    -6.606933   -1.944369  -20.605762     2    63    65    68    69
    65  C     -6.805733   -3.495516  -20.444388     3    64    66    70
    66  O     -7.848573   -4.118316  -20.132902     5    65
    67  HN    -8.344364   -1.783588  -21.729941     4    63
    68  H     -5.804389   -1.653498  -21.330945     6    64
    69  H     -6.241682   -1.599156  -19.610219     6    64
    70  N     -5.641789   -4.110630  -20.528917     1    65    71    74
    71  CA    -5.395387   -5.463778  -20.317894     2    70    72    75    76
    72  C     -3.958372   -5.571131  -19.795535     3    71    73    77
    73  O     -3.415920   -4.754204  -19.068161     5    72
    74  HN    -4.823352   -3.556161  -20.718971     4    70
    75  H     -6.070993   -5.792653  -19.510799     6    71
    76  H     -5.502655   -6.154679  -21.202703     6    71
    77  N     -3.374130   -6.744985  -20.171990     1    72    78    81
    78  CA    -2.104328   -7.212850  -19.630472     2    77    79    82    83
    79  C     -1.545302   -8.425057  -20.414468     3    78    80    84
    80  O     -1.491627   -8.506511  -21.662205     5    79
    81  HN    -3.828847   -7.360627  -20.896167     4    77
    82  H     -1.323330   -6.428509  -19.650115     6    78
    83  H     -2.126663   -7.603261  -18.634263     6    78
    84  N     -1.198822   -9.478391  -19.697953     1    79    85    88
    85  CA    -0.787803  -10.786402  -20.109798     2    84    86    89    90
    86  C     -2.032219  -11.683770  -20.373985     3    85    87    91
    87  O     -3.207257  -11.468369  -20.104424     5    86
    88  HN    -1.146651   -9.441090  -18.646782     4    84
    89  H     -0.165424  -10.711261  -21.039426     6    85
    90  H     -0.272274  -11.320288  -19.323354     6    85
    91  N     -1.677292  -12.909865  -20.857091   230    86    92    93
    92  C     -2.533338  -14.000531  -21.186325   232    91    94    95    96
    93  HN    -0.673130  -13.020595  -20.980857   231    91
    94  H     -3.265005  -14.208742  -20.364924   233    92
    95  H     -1.946714  -14.867031  -21.594957   233    92
    96  H     -3.136135  -13.724796  -22.020065   233    92
96 12_Glycine
     1  C      2.311267  -21.685276   12.002960   224     2     4     5     6
     2  C      2.768107  -20.507044   12.891009   226     1     3     7
     3  O      2.633739  -20.549733   14.080013   227     2
     4  H      2.084589  -22.520466   12.638590   225     1
     5  H      3.106187  -21.901644   11.290733   225     1
     6  H      1.514886  -21.408254   11.309266   225     1
     7  N      3.216740  -19.427244   12.256075     1     2     8    11
     8  CA     3.553903  -18.207851   13.025352     2     7     9    12    13
     9  C      4.133542  -17.209536   12.003894     3     8    10    14
    10  O      3.658719  -16.996644   10.899692     5     9
    11  HN     3.052205  -19.434429   11.202657     4     7
    12  H      2.717357  -17.812480   13.532902     6     8
    13  H      4.256941  -18.424077   13.816791     6     8
    14  N      5.234022  -16.555164   12.430390     1     9    15    18
    15  CA     6.035012  -15.705270   11.571331     2    14    16    19    20
    16  C      7.253171  -16.533505   11.105025     3    15    17    21
    17  O      7.304298  -17.799399   11.055402     5    16
    18  HN     5.647479  -16.668777   13.367731     4    14
    19  H      5.417163  -15.356347   10.689643     6    15
    20  H      6.285346  -14.823012   12.165240     6    15
    21  N      8.319820  -15.816777   10.670712     1    16    22    25
    22  CA     9.607890  -16.249765   10.125993     2    21    23    26    27
    23  C     10.559491  -15.050204   10.190372     3    22    24    28
    24  O     10.403866  -14.082205   10.944683     5    23
    25  HN     8.337160  -14.819781   10.731708     4    21
    26  H     10.135405  -16.959634   10.836647     6    22
    27  H      9.462946  -16.718951    9.094411     6    22
    28  N     11.569269  -15.072626    9.279654     1    23    29    32
    29  CA    12.270929  -13.868396    8.833000     2    28    30    33    34
    30  C     11.716791  -13.487250    7.435094     3    29    31    35
    31  O     11.192109  -14.398080    6.767927     5    30
    32  HN    11.745905  -15.859333    8.611044     4    28
    33  H     12.147838  -13.039881    9.461552     6    29
    34  H     13.378718  -14.127433    8.747210     6    29
    35  N     11.869362  -12.195090    7.083074     1    30    36    39
    36  CA    11.321199  -11.603747    5.842421     2    35    37    40    41
    37  C     12.204620  -11.885825    4.580312     3    36    38    42
    38  O     13.320679  -12.401368    4.723933     5    37
    39  HN    12.640544  -11.760562    7.607328     4    35
    40  H     10.256013  -12.000635    5.729978     6    36
    41  H     11.258367  -10.476726    5.928208     6    36
    42  N     11.670265  -11.607418    3.388925     1    37    43    46
    43  CA    12.250969  -11.846920    2.034959     2    42    44    47    48
    44  C     12.124920  -13.358888    1.644162     3    43    45    49
    45  O     11.713544  -14.248984    2.396724     5    44
    46  HN    10.739755  -11.194937    3.261301     4    42
    47  H     11.686172  -11.277727    1.307504     6    43
    48  H     13.360039  -11.648087    2.044524     6    43
    49  N     12.495554  -13.650749    0.348382     1    44    50    53
    50  CA    12.341812  -14.924698   -0.385885     2    49    51    54    55
    51  C     11.417806  -14.749494   -1.575650     3    50    52    56
    52  O     10.746317  -13.723110   -1.771125     5    51
    53  HN    12.634089  -12.848041   -0.223901     4    49
    54  H     13.285340  -15.407311   -0.703171     6    50
    55  H     11.882993  -15.701860    0.300148     6    50
    56  N     11.428544  -15.889256   -2.340322     1    51    57    60
    57  CA    10.567442  -16.103466   -3.492542     2    56    58    61    62
    58  C     11.181174  -17.173442   -4.455744     3    57    59    63
    59  O     12.370272  -17.461881   -4.403301     5    58
    60  HN    12.062785  -16.682607   -2.223738     4    56
    61  H      9.571050  -16.492808   -3.144412     6    57
    62  H     10.394816  -15.137119   -4.038273     6    57
    63  N     10.244994  -17.927860   -5.199627     1    58    64    67
    64  CA    10.473200  -18.893974   -6.207579     2    63    65    68    69
    65  C     11.149528  -18.363418   -7.448062     3    64    66    70
    66  O     11.230210  -17.128943   -7.686283     5    65
    67  HN     9.278764  -17.691080   -5.211944     4    63
    68  H     10.968730  -19.754798   -5.807316     6    64
    69  H      9.502477  -19.323418   -6.622416     6    64
    70  N     11.510540  -19.273041   -8.411880     1    65    71    74
    71  CA    12.044555  -18.917730   -9.708802     2    70    72    75    76
    72  C     12.361694  -20.046466  -10.753042     3    71    73    77
    73  O     13.350923  -19.964578  -11.574002     5    72
    74  HN    11.475308  -20.290307   -8.198070     4    70
    75  H     11.479520  -18.120076  -10.192340     6    71
    76  H     12.966850  -18.337059   -9.607979     6    71
    77  N     11.569998  -21.108129  -10.700221     1    72    78    81
    78  CA    11.855435  -22.358407  -11.264128     2    77    79    82    83
    79  C     10.610267  -23.098192  -11.785230     3    78    80    84
    80  O     10.368251  -24.273445  -11.454062     5    79
    81  HN    10.646878  -21.111857  -10.210027     4    77
    82  H     12.655948  -22.262112  -12.123478     6    78
    83  H     12.240551  -23.034166  -10.427852     6    78
    84  N      9.651573  -22.324744  -12.433852     1    79    85    88
    85  CA     8.378979  -22.730389  -12.922320     2    84    86    89    90
    86  C      7.433952  -21.628706  -13.384469     3    85    87    91
    87  O      7.462618  -20.517789  -12.870970     5    86
    88  HN     9.925918  -21.359856  -12.765210     4    84
    89  H      8.493129  -23.587251  -13.605369     6    85
    90  H      7.888790  -23.260014  -12.027513     6    85
    91  N      6.606316  -21.871148  -14.455150   230    86    92    93
    92  C      5.735311  -20.938511  -15.158943   232    91    94    95    96
    93  HN     6.579860  -22.832814  -14.778142   231    91
    94  H      4.846328  -20.700675  -14.546290   233    92
    95  H      5.468412  -21.464159  -16.069248   233    92
    96  H      6.095292  -19.903482  -15.357907   233    92
96 12_Glycine
     1  C      0.429669  -21.539292    9.232414   224     2     4     5     6
     2  C      1.941930  -21.537103    9.443996   226     1     3     7
     3  O      2.519167  -22.300750   10.168394   227     2
     4  H      0.117335  -22.608978    9.232207   225     1
     5  H      0.038746  -21.002719    8.394769   225     1
     6  H      0.002798  -21.086316   10.185030   225     1
     7  N      2.642225  -20.568836    8.768009     1     2     8    11
     8  CA     4.083784  -20.424058    8.839018     2     7     9    12    13
     9  C      4.623499  -19.228362    8.011335     3     8    10    14
    10  O      5.327491  -18.390896    8.604394     5     9
    11  HN     2.072061  -19.783347    8.433996     4     7
    12  H      4.419023  -20.235126    9.906112     6     8
    13  H      4.614354  -21.414724    8.580774     6     8
    14  N      4.253633  -19.123952    6.718977     1     9    15    18
    15  CA     4.758398  -18.255688    5.668406     2    14    16    19    20
    16  C      5.701354  -18.887450    4.697832     3    15    17    21
    17  O      6.614244  -18.264252    4.175984     5    16
    18  HN     3.608978  -19.863250    6.322021     4    14
    19  H      3.898764  -17.956523    5.029777     6    15
    20  H      5.360206  -17.416660    6.133021     6    15
    21  N      5.603771  -20.215707    4.519327     1    16    22    25
    22  CA     6.621325  -21.016620    3.783646     2    21    23    26    27
    23  C      7.552656  -21.752981    4.705648     3    22    24    28
    24  O      8.698305  -21.884184    4.444641     5    23
    25  HN     4.720002  -20.761517    4.687462     4    21
    26  H      6.086368  -21.838490    3.236990     6    22
    27  H      7.120929  -20.426930    2.921541     6    22
    28  N      7.026935  -22.413708    5.791048     1    23    29    32
    29  CA     7.846879  -22.989939    6.845577     2    28    30    33    34
    30  C      7.773076  -22.025009    7.968884     3    29    31    35
    31  O      8.090553  -20.868961    7.747273     5    30
    32  HN     5.988227  -22.330453    5.992447     4    28
    33  H      7.586177  -23.965275    7.152186     6    29
    34  H      8.901316  -23.139215    6.582856     6    29
    35  N      7.369237  -22.503844    9.161280     1    30    36    39
    36  CA     7.172922  -21.779324   10.347546     2    35    37    40    41
    37  C      8.462206  -21.239710   10.983611     3    36    38    42
    38  O      9.486046  -21.956755   11.021281     5    37
    39  HN     6.861651  -23.443882    9.075249     4    35
    40  H      6.342888  -21.051486   10.234148     6    36
    41  H      6.812289  -22.459057   11.093047     6    36
    42  N      8.436849  -19.948572   11.397721     1    37    43    46
    43  CA     9.494423  -19.143889   12.073481     2    42    44    47    48
    44  C     10.461479  -18.595140   11.070613     3    43    45    49
    45  O     10.810765  -19.237761   10.050405     5    44
    46  HN     7.564874  -19.469703   11.508445     4    42
    47  H      9.026067  -18.396051   12.778741     6    43
    48  H     10.055328  -19.744696   12.761168     6    43
    49  N     11.104326  -17.484524   11.398530     1    44    50    53
    50  CA    12.184364  -16.859331   10.621128     2    49    51    54    55
    51  C     12.169441  -15.339836   10.895259     3    50    52    56
    52  O     11.170737  -14.653339   10.669633     5    51
    53  HN    10.629277  -16.872447   12.101559     4    49
    54  H     13.124851  -17.428475   10.853631     6    50
    55  H     12.010178  -17.073445    9.531101     6    50
    56  N     13.392573  -14.760959   11.240566     1    51    57    60
    57  CA    13.475231  -13.400767   11.792302     2    56    58    61    62
    58  C     13.307078  -13.390839   13.348275     3    57    59    63
    59  O     13.216854  -14.468257   13.947583     5    58
    60  HN    14.321635  -15.273350   11.341669     4    56
    61  H     14.490726  -12.969663   11.517492     6    57
    62  H     12.675385  -12.699608   11.369875     6    57
    63  N     13.134055  -12.242801   14.006203     1    58    64    67
    64  CA    13.101412  -12.052672   15.436514     2    63    65    68    69
    65  C     14.177188  -11.025673   15.980316     3    64    66    70
    66  O     15.392742  -11.188640   15.744958     5    65
    67  HN    13.221628  -11.276113   13.574888     4    63
    68  H     12.036925  -11.852282   15.721885     6    64
    69  H     13.240348  -13.031127   15.947170     6    64
    70  N     13.650815   -9.939131   16.613214     1    65    71    74
    71  CA    14.586168   -8.930389   17.117668     2    70    72    75    76
    72  C     13.950083   -7.496718   17.094185     3    71    73    77
    73  O     13.311945   -7.034728   16.085910     5    72
    74  HN    12.640801   -9.806704   16.836076     4    70
    75  H     14.775633   -9.254690   18.120921     6    71
    76  H     15.610243   -8.932258   16.625119     6    71
    77  N     14.149044   -6.708932   18.122701     1    72    78    81
    78  CA    13.917455   -5.307298   18.072524     2    77    79    82    83
    79  C     15.099267   -4.507689   18.715904     3    78    80    84
    80  O     14.906644   -3.287671   19.044646     5    79
    81  HN    14.286592   -7.131964   19.122629     4    77
    82  H     13.826460   -4.891533   17.015881     6    78
    83  H     12.995856   -5.069157   18.510628     6    78
    84  N     16.382649   -4.969089   18.687001     1    79    85    88
    85  CA    17.480673   -4.248426   19.194842     2    84    86    89    90
    86  C     17.836847   -4.336302   20.711741     3    85    87    91
    87  O     17.151862   -5.005583   21.520307     5    86
    88  HN    16.597920   -5.874401   18.185388     4    84
    89  H     18.395258   -4.606811   18.666104     6    85
    90  H     17.343139   -3.220730   18.913129     6    85
    91  N     18.966224   -3.797203   21.138330   230    86    92    93
    92  C     19.521898   -3.689895   22.525885   232    91    94    95    96
    93  HN    19.574059   -3.414638   20.376849   231    91
    94  H     19.990895   -2.666263   22.617409   233    92
    95  H     20.260022   -4.447743   22.782327   233    92
    96  H     18.758417   -3.885387   23.322329   233    92
96 12_Glycine
     1  C     10.716499  -13.082129    7.374937   224     2     4     5     6
     2  C     11.925620  -13.838682    7.891720   226     1     3     7
     3  O     12.252870  -13.730193    9.090733   227     2
     4  H      9.764503  -13.591351    7.502913   225     1
     5  H     10.819293  -12.900006    6.301023   225     1
     6  H     10.606803  -12.095113    7.972740   225     1
     7  N     12.427778  -14.713436    7.056425     1     2     8    11
     8  CA    13.438002  -15.751617    7.280867     2     7     9    12    13
     9  C     13.216512  -17.130049    6.752511     3     8    10    14
    10  O     14.148563  -17.942371    6.724880     5     9
    11  HN    12.047779  -14.660947    6.051229     4     7
    12  H     14.378378  -15.549980    6.823709     6     8
    13  H     13.588359  -15.883839    8.355246     6     8
    14  N     11.968011  -17.432094    6.279448     1     9    15    18
    15  CA    11.532647  -18.794751    5.780507     2    14    16    19    20
    16  C     11.436174  -18.843240    4.269219     3    15    17    21
    17  O     11.632237  -17.841581    3.539334     5    16
    18  HN    11.182332  -16.783024    6.173041     4    14
    19  H     12.270501  -19.596265    6.163362     6    15
    20  H     10.519358  -18.941555    6.115699     6    15
    21  N     10.849681  -19.964944    3.783041     1    16    22    25
    22  CA    10.568312  -20.355595    2.410394     2    21    23    26    27
    23  C      9.230268  -20.988852    2.202989     3    22    24    28
    24  O      9.104008  -21.929974    1.448883     5    23
    25  HN    10.684941  -20.673005    4.531290     4    21
    26  H     10.715756  -19.532800    1.681917     6    22
    27  H     11.389458  -21.071782    2.046689     6    22
    28  N      8.170671  -20.565938    2.921366     1    23    29    32
    29  CA     6.791023  -21.002742    2.709839     2    28    30    33    34
    30  C      5.656013  -20.190198    3.445670     3    29    31    35
    31  O      4.505095  -20.641403    3.498299     5    30
    32  HN     8.343120  -20.035847    3.788749     4    28
    33  H      6.458462  -21.207722    1.693837     6    29
    34  H      6.791076  -21.989865    3.245022     6    29
    35  N      6.034688  -18.914524    3.865125     1    30    36    39
    36  CA     4.957908  -18.085444    4.482587     2    35    37    40    41
    37  C      4.732666  -18.242439    5.955067     3    36    38    42
    38  O      5.525060  -18.897447    6.652113     5    37
    39  HN     6.993638  -18.519351    3.924523     4    35
    40  H      5.186852  -17.012814    4.315502     6    36
    41  H      3.949400  -18.307706    4.018109     6    36
    42  N      3.574367  -17.724086    6.484481     1    37    43    46
    43  CA     3.096521  -17.942864    7.783375     2    42    44    47    48
    44  C      3.073040  -16.744852    8.679068     3    43    45    49
    45  O      3.384059  -15.616637    8.217678     5    44
    46  HN     3.009743  -17.054360    6.001676     4    42
    47  H      2.030754  -18.331830    7.676105     6    43
    48  H      3.623402  -18.826369    8.180412     6    43
    49  N      2.585686  -16.958801    9.899570     1    44    50    53
    50  CA     2.447238  -15.956110   10.923768     2    49    51    54    55
    51  C      3.685819  -15.818899   11.774801     3    50    52    56
    52  O      4.304750  -16.794596   12.174179     5    51
    53  HN     2.127400  -17.851723   10.123471     4    49
    54  H      1.964888  -15.019573   10.539647     6    50
    55  H      1.698509  -16.405292   11.663676     6    50
    56  N      3.871139  -14.569386   12.278067     1    51    57    60
    57  CA     4.660441  -14.224494   13.472826     2    56    58    61    62
    58  C      5.238435  -12.846849   13.432257     3    57    59    63
    59  O      5.510213  -12.204885   14.494993     5    58
    60  HN     3.268924  -13.825456   11.896353     4    56
    61  H      3.829535  -14.170093   14.280544     6    57
    62  H      5.369711  -15.020872   13.864911     6    57
    63  N      5.546407  -12.220833   12.223185     1    58    64    67
    64  CA     6.080606  -10.859873   11.944697     2    63    65    68    69
    65  C      7.527375  -10.772851   11.359752     3    64    66    70
    66  O      7.827159   -9.792668   10.715976     5    65
    67  HN     5.384897  -12.712023   11.355900     4    63
    68  H      5.305720  -10.418781   11.316137     6    64
    69  H      6.144536  -10.257303   12.852472     6    64
    70  N      8.303347  -11.870528   11.452514     1    65    71    74
    71  CA     9.562578  -11.989851   10.853558     2    70    72    75    76
    72  C     10.675048  -11.480825   11.826678     3    71    73    77
    73  O     10.652737  -10.539855   12.609898     5    72
    74  HN     8.047412  -12.732488   11.993519     4    70
    75  H      9.778118  -12.967795   10.406155     6    71
    76  H      9.647844  -11.394924    9.926220     6    71
    77  N     11.750036  -12.285889   11.802632     1    72    78    81
    78  CA    12.833238  -12.186383   12.798912     2    77    79    82    83
    79  C     12.463751  -12.409127   14.266503     3    78    80    84
    80  O     11.516608  -13.078323   14.587490     5    79
    81  HN    11.922022  -12.919319   11.033382     4    77
    82  H     13.577696  -12.998480   12.671230     6    78
    83  H     13.339513  -11.235114   12.712186     6    78
    84  N     13.361589  -11.888941   15.117331     1    79    85    88
    85  CA    13.357497  -11.933462   16.573323     2    84    86    89    90
    86  C     12.144677  -11.248594   17.242181     3    85    87    91
    87  O     11.581869  -10.327301   16.649595     5    86
    88  HN    14.032657  -11.278528   14.600498     4    84
    89  H     13.444774  -13.003111   16.820435     6    85
    90  H     14.300016  -11.465753   16.918906     6    85
    91  N     11.905553  -11.646753   18.525246   230    86    92    93
    92  C     10.990777  -11.029193   19.432692   232    91    94    95    96
    93  HN    12.532435  -12.318492   18.946430   231    91
    94  H     10.889834  -11.440847   20.473905   233    92
    95  H      9.977587  -10.997473   18.980460   233    92
    96  H     11.235175   -9.962172   19.662464   233    92
96 12_Glycine
     1  C    -21.412281   14.388320   -1.330630   224     2     4     5     6
     2  C    -20.562056   13.432236   -2.107643   226     1     3     7
     3  O    -20.356719   13.504686   -3.354167   227     2
     4  H    -22.472276   14.148267   -1.495777   225     1
     5  H    -21.165672   15.342456   -1.769017   225     1
     6  H    -21.329653   14.561448   -0.210125   225     1
     7  N    -19.849089   12.536658   -1.362869     1     2     8    11
     8  CA   -19.034509   11.471695   -1.898925     2     7     9    12    13
     9  C    -19.327730   10.037524   -1.354591     3     8    10    14
    10  O    -20.228375    9.761132   -0.640910     5     9
    11  HN   -19.818589   12.647202   -0.307084     4     7
    12  H    -19.203003   11.459222   -2.978128     6     8
    13  H    -17.944865   11.702301   -1.818053     6     8
    14  N    -18.492710    9.070407   -1.804676     1     9    15    18
    15  CA   -18.540496    7.690071   -1.454864     2    14    16    19    20
    16  C    -17.928981    7.483472   -0.070002     3    15    17    21
    17  O    -17.643504    8.448055    0.627550     5    16
    18  HN   -17.718079    9.298522   -2.390599     4    14
    19  H    -19.572462    7.335378   -1.360084     6    15
    20  H    -17.929836    7.074850   -2.214018     6    15
    21  N    -17.762802    6.217687    0.263238     1    16    22    25
    22  CA   -17.230175    5.684701    1.470651     2    21    23    26    27
    23  C    -15.684805    6.050558    1.660525     3    22    24    28
    24  O    -14.989422    6.305532    0.666044     5    23
    25  HN   -17.865464    5.465078   -0.471742     4    21
    26  H    -17.837889    5.974774    2.358728     6    22
    27  H    -17.238657    4.586421    1.524933     6    22
    28  N    -15.202253    5.984939    2.914400     1    23    29    32
    29  CA   -13.843231    6.322154    3.371660     2    28    30    33    34
    30  C    -13.555583    7.798167    3.307822     3    29    31    35
    31  O    -14.206346    8.568699    2.539960     5    30
    32  HN   -15.829239    5.704618    3.664566     4    28
    33  H    -13.739512    5.960901    4.403539     6    29
    34  H    -13.118896    5.721859    2.800772     6    29
    35  N    -12.558873    8.270306    4.070503     1    30    36    39
    36  CA   -12.177349    9.635560    4.238064     2    35    37    40    41
    37  C    -12.626431   10.340003    5.519084     3    36    38    42
    38  O    -13.180976    9.691602    6.395978     5    37
    39  HN   -12.080874    7.699973    4.765792     4    35
    40  H    -11.073179    9.674386    4.292965     6    36
    41  H    -12.583538   10.153774    3.342291     6    36
    42  N    -12.416960   11.662557    5.648317     1    37    43    46
    43  CA   -12.879943   12.485566    6.721598     2    42    44    47    48
    44  C    -12.901412   13.944072    6.462755     3    43    45    49
    45  O    -12.876176   14.686773    7.454787     5    44
    46  HN   -11.755562   12.184294    5.038799     4    42
    47  H    -13.884916   12.216094    6.972247     6    43
    48  H    -12.301591   12.396533    7.642367     6    43
    49  N    -12.822777   14.411731    5.247166     1    44    50    53
    50  CA   -12.693515   15.807298    4.916314     2    49    51    54    55
    51  C    -12.010314   15.888145    3.539418     3    50    52    56
    52  O    -11.054553   15.210734    3.141237     5    51
    53  HN   -13.146125   13.702351    4.441082     4    49
    54  H    -13.656783   16.357671    4.906675     6    50
    55  H    -11.981480   16.299906    5.638727     6    50
    56  N    -12.461481   16.922645    2.751422     1    51    57    60
    57  CA   -12.053361   17.339701    1.439234     2    56    58    61    62
    58  C    -13.152089   18.144304    0.654992     3    57    59    63
    59  O    -14.371708   17.855311    0.903233     5    58
    60  HN   -13.206079   17.538943    3.162349     4    56
    61  H    -11.128227   17.855577    1.391963     6    57
    62  H    -11.947863   16.374609    0.891634     6    57
    63  N    -12.654554   19.068270   -0.250830     1    58    64    67
    64  CA   -13.542635   19.878373   -1.067899     2    63    65    68    69
    65  C    -13.613349   21.402723   -0.731469     3    64    66    70
    66  O    -13.116496   21.868753    0.270544     5    65
    67  HN   -11.625311   19.218170   -0.309406     4    63
    68  H    -13.284826   19.719241   -2.120299     6    64
    69  H    -14.530912   19.437693   -0.977869     6    64
    70  N    -14.282011   22.190935   -1.651743     1    65    71    74
    71  CA   -14.304711   23.589416   -1.577458     2    70    72    75    76
    72  C    -13.511675   24.390717   -2.665069     3    71    73    77
    73  O    -12.790938   23.822191   -3.516280     5    72
    74  HN   -14.384986   21.764157   -2.628939     4    70
    75  H    -15.379830   23.999795   -1.667141     6    71
    76  H    -14.024063   23.994377   -0.597983     6    71
    77  N    -13.715500   25.756179   -2.733525     1    72    78    81
    78  CA   -13.165489   26.630006   -3.713886     2    77    79    82    83
    79  C    -12.478344   27.856026   -3.087600     3    78    80    84
    80  O    -11.734036   27.771657   -2.096981     5    79
    81  HN   -14.311796   26.189434   -2.051708     4    77
    82  H    -12.369137   26.065540   -4.297362     6    78
    83  H    -13.952693   26.854507   -4.434181     6    78
    84  N    -12.789132   29.025075   -3.736920     1    79    85    88
    85  CA   -12.410483   30.289193   -3.151183     2    84    86    89    90
    86  C    -11.038965   30.781359   -3.717724     3    85    87    91
    87  O    -10.331672   30.053600   -4.359592     5    86
    88  HN   -13.186861   29.084938   -4.677260     4    84
    89  H    -13.261854   31.003292   -3.367973     6    85
    90  H    -12.256884   30.102394   -2.023030     6    85
    91  N    -10.615665   31.967537   -3.242550   230    86    92    93
    92  C     -9.419024   32.791345   -3.426556   232    91    94    95    96
    93  HN   -11.297729   32.444113   -2.676036   231    91
    94  H     -9.486400   33.479594   -4.291632   233    92
    95  H     -8.519737   32.226531   -3.680980   233    92
    96  H     -9.272362   33.568832   -2.564109   233    92
96 12_Glycine
     1  C     -1.509836  -12.482754    3.498020   224     2     4     5     6
     2  C     -2.714661  -12.787389    2.642753   226     1     3     7
     3  O     -3.611142  -13.522497    3.175807   227     2
     4  H     -0.629391  -12.746576    2.929774   225     1
     5  H     -1.497466  -12.930111    4.513407   225     1
     6  H     -1.368740  -11.370127    3.633702   225     1
     7  N     -2.906561  -12.138437    1.492245     1     2     8    11
     8  CA    -3.987358  -12.407712    0.550288     2     7     9    12    13
     9  C     -4.387742  -11.300084   -0.389513     3     8    10    14
    10  O     -5.592167  -11.111344   -0.722908     5     9
    11  HN    -2.067851  -11.507160    1.180950     4     7
    12  H     -3.622494  -13.256702   -0.135750     6     8
    13  H     -4.885342  -12.816204    1.038858     6     8
    14  N     -3.397985  -10.597718   -0.980769     1     9    15    18
    15  CA    -3.848246   -9.554555   -1.852613     2    14    16    19    20
    16  C     -2.825949   -8.962867   -2.803979     3    15    17    21
    17  O     -3.130059   -7.890117   -3.362484     5    16
    18  HN    -2.516223  -10.356651   -0.512128     4    14
    19  H     -4.694819   -9.865356   -2.390984     6    15
    20  H     -4.227727   -8.770146   -1.178575     6    15
    21  N     -1.633655   -9.554426   -2.865722     1    16    22    25
    22  CA    -0.544172   -8.967473   -3.817746     2    21    23    26    27
    23  C      0.877310   -9.280840   -3.516717     3    22    24    28
    24  O      1.717516   -9.361303   -4.405428     5    23
    25  HN    -1.498530  -10.460826   -2.432919     4    21
    26  H     -0.768748   -9.295936   -4.906232     6    22
    27  H     -0.545529   -7.874177   -3.909477     6    22
    28  N      1.277119   -9.108134   -2.229659     1    23    29    32
    29  CA     2.553072   -9.329173   -1.745362     2    28    30    33    34
    30  C      3.033712  -10.821878   -1.753254     3    29    31    35
    31  O      2.304061  -11.703904   -2.090909     5    30
    32  HN     0.621488   -8.755693   -1.494243     4    28
    33  H      3.236488   -8.825146   -2.435011     6    29
    34  H      2.827074   -8.898820   -0.733171     6    29
    35  N      4.347735  -10.922386   -1.288865     1    30    36    39
    36  CA     5.148789  -12.097916   -1.210146     2    35    37    40    41
    37  C      6.647686  -11.747279   -0.963099     3    36    38    42
    38  O      7.487819  -11.520725   -1.811032     5    37
    39  HN     4.780865  -10.076936   -0.849959     4    35
    40  H      4.786665  -12.810854   -0.406518     6    36
    41  H      5.069362  -12.608364   -2.159785     6    36
    42  N      6.979089  -11.646149    0.341689     1    37    43    46
    43  CA     8.253769  -11.222431    0.904364     2    42    44    47    48
    44  C      8.808955  -11.893562    2.259910     3    43    45    49
    45  O      9.740692  -11.423212    2.879012     5    44
    46  HN     6.300765  -11.660899    1.135832     4    42
    47  H      9.078540  -11.309021    0.170126     6    43
    48  H      8.141133  -10.124510    1.134196     6    43
    49  N      8.240308  -12.993161    2.742256     1    44    50    53
    50  CA     8.517398  -13.706999    4.004012     2    49    51    54    55
    51  C      7.434237  -13.510392    5.059174     3    50    52    56
    52  O      6.484981  -12.711096    4.785106     5    51
    53  HN     7.523887  -13.576166    2.196377     4    49
    54  H      8.436558  -14.752356    3.671721     6    50
    55  H      9.562018  -13.548409    4.277071     6    50
    56  N      7.643204  -14.184794    6.236145     1    51    57    60
    57  CA     6.862938  -14.020096    7.501405     2    56    58    61    62
    58  C      5.583059  -14.797319    7.435667     3    57    59    63
    59  O      5.208003  -15.295414    6.356302     5    58
    60  HN     8.386723  -14.806351    6.444911     4    56
    61  H      7.491236  -14.314053    8.350596     6    57
    62  H      6.636173  -12.972840    7.616817     6    57
    63  N      4.901802  -14.891677    8.591016     1    58    64    67
    64  CA     3.707799  -15.730616    8.887474     2    63    65    68    69
    65  C      4.006757  -17.116351    9.287766     3    64    66    70
    66  O      5.051639  -17.662862    8.899503     5    65
    67  HN     5.189419  -14.369497    9.439436     4    63
    68  H      3.054946  -15.273754    9.682370     6    64
    69  H      3.023714  -15.737472    7.919788     6    64
    70  N      3.076231  -17.815052    9.965359     1    65    71    74
    71  CA     3.186919  -19.246988   10.276480     2    70    72    75    76
    72  C      1.938682  -20.118303   10.118495     3    71    73    77
    73  O      1.966744  -21.263962   10.558643     5    72
    74  HN     2.246255  -17.296137   10.277251     4    70
    75  H      4.062715  -19.703714    9.787100     6    71
    76  H      3.354380  -19.226701   11.327588     6    71
    77  N      0.840690  -19.609042    9.447016     1    72    78    81
    78  CA    -0.353175  -20.332733    9.050313     2    77    79    82    83
    79  C     -1.550003  -19.714210    9.789387     3    78    80    84
    80  O     -1.373134  -18.936863   10.703914     5    79
    81  HN     0.794841  -18.682205    9.119088     4    77
    82  H     -0.444081  -20.518447    7.967479     6    78
    83  H     -0.336875  -21.298454    9.532166     6    78
    84  N     -2.799277  -20.055736    9.376860     1    79    85    88
    85  CA    -4.044903  -19.823492   10.089085     2    84    86    89    90
    86  C     -4.176518  -20.626683   11.444698     3    85    87    91
    87  O     -3.626753  -21.729243   11.570285     5    86
    88  HN    -2.924135  -20.485750    8.468816     4    84
    89  H     -4.154656  -18.757847   10.356719     6    85
    90  H     -4.852196  -20.208962    9.383124     6    85
    91  N     -4.941266  -20.056843   12.436662   230    86    92    93
    92  C     -5.048677  -20.627288   13.768701   232    91    94    95    96
    93  HN    -5.569926  -19.236301   12.203310   231    91
    94  H     -4.397954  -20.251932   14.559996   233    92
    95  H     -5.001950  -21.745639   13.748230   233    92
    96  H     -6.026063  -20.444343   14.180958   233    92
96 12_Glycine
     1  C     17.300529   16.640643  -19.953033   224     2     4     5     6
     2  C     16.570505   15.322597  -19.939766   226     1     3     7
     3  O     15.403134   15.102061  -19.592838   227     2
     4  H     17.728211   17.131981  -20.845000   225     1
     5  H     18.174506   16.668779  -19.232340   225     1
     6  H     16.633345   17.387221  -19.524027   225     1
     7  N     17.328935   14.248365  -20.350112     1     2     8    11
     8  CA    16.865666   12.866739  -20.356365     2     7     9    12    13
     9  C     17.097195   12.209316  -21.746774     3     8    10    14
    10  O     17.921078   12.779888  -22.505491     5     9
    11  HN    18.214485   14.339880  -20.830815     4     7
    12  H     17.299984   12.211605  -19.604837     6     8
    13  H     15.765925   12.913417  -20.196741     6     8
    14  N     16.403931   11.034880  -22.064409     1     9    15    18
    15  CA    16.464013   10.390471  -23.395093     2    14    16    19    20
    16  C     16.459134    8.875390  -23.455959     3    15    17    21
    17  O     16.357477    8.341396  -24.529488     5    16
    18  HN    15.676348   10.655887  -21.469894     4    14
    19  H     15.570540   10.696923  -24.100526     6    15
    20  H     17.430074   10.738774  -23.898734     6    15
    21  N     16.364573    8.138382  -22.264124     1    16    22    25
    22  CA    16.297712    6.713624  -22.155883     2    21    23    26    27
    23  C     17.590676    6.066422  -21.646183     3    22    24    28
    24  O     18.699041    6.459008  -21.994770     5    23
    25  HN    16.431866    8.513506  -21.311051     4    21
    26  H     15.415026    6.565280  -21.540504     6    22
    27  H     16.054729    6.208349  -23.076119     6    22
    28  N     17.351218    5.024760  -20.867093     1    23    29    32
    29  CA    18.329829    4.220064  -20.170910     2    28    30    33    34
    30  C     18.949440    4.938249  -18.985086     3    29    31    35
    31  O     18.334792    5.722210  -18.254416     5    30
    32  HN    16.461148    4.797382  -20.404180     4    28
    33  H     17.842704    3.285801  -19.761566     6    29
    34  H     19.170251    3.841553  -20.821637     6    29
    35  N     20.216310    4.603265  -18.637329     1    30    36    39
    36  CA    20.710669    5.029922  -17.291977     2    35    37    40    41
    37  C     19.723837    4.548201  -16.212892     3    36    38    42
    38  O     19.166443    3.405661  -16.266638     5    37
    39  HN    20.886418    4.195185  -19.295802     4    35
    40  H     21.711830    4.634772  -17.068114     6    36
    41  H     20.822074    6.127388  -17.287464     6    36
    42  N     19.414205    5.409132  -15.130640     1    37    43    46
    43  CA    18.747994    5.199400  -13.858835     2    42    44    47    48
    44  C     17.421372    5.835322  -13.762630     3    43    45    49
    45  O     16.652451    5.487552  -12.899310     5    44
    46  HN    19.649810    6.401203  -15.286344     4    42
    47  H     18.601732    4.088395  -13.699447     6    43
    48  H     19.354993    5.460456  -12.961269     6    43
    49  N     17.019350    6.758928  -14.720016     1    44    50    53
    50  CA    15.724130    7.402759  -14.921933     2    49    51    54    55
    51  C     15.568686    7.980888  -16.299212     3    50    52    56
    52  O     15.967629    7.328094  -17.287538     5    51
    53  HN    17.753594    7.092758  -15.413770     4    49
    54  H     14.878250    6.752545  -14.625178     6    50
    55  H     15.637355    8.178908  -14.219137     6    50
    56  N     14.735095    9.092914  -16.441532     1    51    57    60
    57  CA    14.334352    9.773101  -17.632190     2    56    58    61    62
    58  C     14.561898   11.349643  -17.782866     3    57    59    63
    59  O     14.150302   11.875511  -18.797890     5    58
    60  HN    14.580217    9.634146  -15.563772     4    56
    61  H     14.846652    9.256007  -18.551619     6    57
    62  H     13.308901    9.574358  -17.838609     6    57
    63  N     15.203040   11.983164  -16.792402     1    58    64    67
    64  CA    15.239140   13.427718  -16.727091     2    63    65    68    69
    65  C     14.709213   13.889813  -15.331785     3    64    66    70
    66  O     15.497092   13.865189  -14.346881     5    65
    67  HN    15.509300   11.522214  -15.885766     4    63
    68  H     16.343052   13.827855  -16.945453     6    64
    69  H     14.527588   13.947114  -17.453150     6    64
    70  N     13.427388   14.326117  -15.219653     1    65    71    74
    71  CA    12.840071   14.820929  -13.957861     2    70    72    75    76
    72  C     12.287857   13.744397  -13.021679     3    71    73    77
    73  O     12.638028   12.569790  -13.117218     5    72
    74  HN    12.811854   14.367774  -16.074103     4    70
    75  H     13.661593   15.212440  -13.340155     6    71
    76  H     12.005329   15.577603  -14.110375     6    71
    77  N     11.365396   14.206294  -12.155742     1    72    78    81
    78  CA    10.631955   13.305218  -11.276394     2    77    79    82    83
    79  C      9.620933   12.451102  -12.083069     3    78    80    84
    80  O      9.319493   12.814952  -13.224211     5    79
    81  HN    11.165102   15.217084  -12.125931     4    77
    82  H     11.252920   12.505057  -10.750327     6    78
    83  H     10.206822   13.895656  -10.364331     6    78
    84  N      8.961569   11.496216  -11.458783     1    79    85    88
    85  CA     8.058576   10.517377  -11.991974     2    84    86    89    90
    86  C      6.542640   10.784912  -11.857516     3    85    87    91
    87  O      5.755357    9.810480  -12.015552     5    86
    88  HN     9.116677   11.310599  -10.433186     4    84
    89  H      8.269832   10.395950  -13.097414     6    85
    90  H      8.234180    9.551789  -11.528625     6    85
    91  N      6.142201   12.019320  -11.634571   230    86    92    93
    92  C      4.702673   12.398529  -11.731137   232    91    94    95    96
    93  HN     6.848343   12.773009  -11.525415   231    91
    94  H      3.968836   11.642859  -11.361091   233    92
    95  H      4.459352   12.576691  -12.831446   233    92
    96  H      4.509500   13.349888  -11.307800   233    92
96 12_Glycine
     1  C     -1.287422    3.030654   -5.324693   224     2     4     5     6
     2  C     -0.614212    1.724977   -5.652728   226     1     3     7
     3  O     -0.371026    0.870103   -4.773735   227     2
     4  H     -2.284978    2.936066   -4.816307   225     1
     5  H     -1.472966    3.557535   -6.306674   225     1
     6  H     -0.599069    3.646371   -4.730533   225     1
     7  N     -0.177088    1.560894   -6.926005     1     2     8    11
     8  CA     0.498061    0.413974   -7.504618     2     7     9    12    13
     9  C     -0.087155   -0.010173   -8.839612     3     8    10    14
    10  O      0.471303   -0.722812   -9.643099     5     9
    11  HN    -0.209459    2.451312   -7.460465     4     7
    12  H      1.569033    0.661914   -7.748812     6     8
    13  H      0.400175   -0.485059   -6.875496     6     8
    14  N     -1.308188    0.546337   -9.140958     1     9    15    18
    15  CA    -1.871406    0.505914  -10.482593     2    14    16    19    20
    16  C     -2.574729   -0.808804  -10.726250     3    15    17    21
    17  O     -3.062173   -1.487459   -9.856339     5    16
    18  HN    -1.936416    0.984207   -8.428051     4    14
    19  H     -2.623083    1.342757  -10.601899     6    15
    20  H     -1.033909    0.682548  -11.200005     6    15
    21  N     -2.854150   -1.079711  -12.045899     1    16    22    25
    22  CA    -3.434217   -2.335836  -12.531153     2    21    23    26    27
    23  C     -4.787957   -2.262047  -13.215057     3    22    24    28
    24  O     -5.066835   -3.093380  -14.031979     5    23
    25  HN    -2.448223   -0.483842  -12.741755     4    21
    26  H     -2.735294   -2.907358  -13.127253     6    22
    27  H     -3.515589   -3.003880  -11.688584     6    22
    28  N     -5.544000   -1.149670  -12.860642     1    23    29    32
    29  CA    -6.747362   -0.726722  -13.489096     2    28    30    33    34
    30  C     -6.537087    0.687163  -14.024595     3    29    31    35
    31  O     -5.522504    1.066420  -14.649324     5    30
    32  HN    -5.234181   -0.508012  -12.086828     4    28
    33  H     -7.115032   -1.416412  -14.305332     6    29
    34  H     -7.574666   -0.731687  -12.729648     6    29
    35  N     -7.626833    1.444945  -13.880709     1    30    36    39
    36  CA    -7.842580    2.815168  -14.224315     2    35    37    40    41
    37  C     -7.355247    3.745635  -13.095173     3    36    38    42
    38  O     -6.585029    3.262944  -12.261981     5    37
    39  HN    -8.473564    1.129359  -13.358504     4    35
    40  H     -7.298041    3.183864  -15.118958     6    36
    41  H     -8.924277    2.884721  -14.499502     6    36
    42  N     -7.672272    5.029786  -13.307518     1    37    43    46
    43  CA    -7.150059    6.183825  -12.555972     2    42    44    47    48
    44  C     -6.285053    7.132380  -13.490746     3    43    45    49
    45  O     -6.351486    8.383572  -13.357541     5    44
    46  HN    -8.386970    5.261316  -14.037979     4    42
    47  H     -7.878611    6.868881  -12.176340     6    43
    48  H     -6.659050    5.807373  -11.591560     6    43
    49  N     -5.570302    6.522429  -14.450437     1    44    50    53
    50  CA    -5.218570    7.220152  -15.709383     2    49    51    54    55
    51  C     -5.497057    6.276153  -16.881581     3    50    52    56
    52  O     -6.372257    5.388869  -16.810850     5    51
    53  HN    -5.377398    5.514060  -14.424354     4    49
    54  H     -5.920297    8.039697  -16.007828     6    50
    55  H     -4.131269    7.636952  -15.697388     6    50
    56  N     -4.745606    6.510228  -18.033264     1    51    57    60
    57  CA    -4.856677    6.030186  -19.385491     2    56    58    61    62
    58  C     -4.035426    4.738375  -19.532543     3    57    59    63
    59  O     -4.071396    3.902438  -18.621777     5    58
    60  HN    -3.916017    7.170496  -17.955298     4    56
    61  H     -5.869696    5.796804  -19.695974     6    57
    62  H     -4.575228    6.776768  -20.168155     6    57
    63  N     -3.343055    4.550785  -20.675977     1    58    64    67
    64  CA    -2.516658    3.430758  -20.995055     2    63    65    68    69
    65  C     -1.106122    3.494187  -20.450496     3    64    66    70
    66  O     -0.743408    4.552047  -19.934778     5    65
    67  HN    -3.345421    5.244618  -21.412334     4    63
    68  H     -3.016981    2.466636  -20.655753     6    64
    69  H     -2.369395    3.516846  -22.090312     6    64
    70  N     -0.371329    2.362117  -20.579587     1    65    71    74
    71  CA     0.957063    2.221742  -20.175425     2    70    72    75    76
    72  C      2.008434    3.075927  -20.972610     3    71    73    77
    73  O      1.668973    3.960171  -21.756541     5    72
    74  HN    -0.722063    1.530961  -21.022605     4    70
    75  H      1.060460    2.493606  -19.088284     6    71
    76  H      1.279318    1.141523  -20.208127     6    71
    77  N      3.281723    2.672303  -20.830309     1    72    78    81
    78  CA     4.430629    3.300434  -21.434389     2    77    79    82    83
    79  C      4.736700    4.647587  -20.771588     3    78    80    84
    80  O      3.854937    5.286789  -20.113662     5    79
    81  HN     3.526102    1.940212  -20.219048     4    77
    82  H      5.333635    2.568954  -21.263957     6    78
    83  H      4.228972    3.393989  -22.553466     6    78
    84  N      5.980529    5.091464  -21.023619     1    79    85    88
    85  CA     6.704033    6.120249  -20.428339     2    84    86    89    90
    86  C      7.134741    5.758172  -19.011364     3    85    87    91
    87  O      6.561582    4.910639  -18.448297     5    86
    88  HN     6.571839    4.466270  -21.588813     4    84
    89  H      7.626652    6.285454  -21.061186     6    85
    90  H      6.095891    7.069440  -20.409736     6    85
    91  N      8.156886    6.438340  -18.476440   230    86    92    93
    92  C      8.651481    6.276923  -17.154209   232    91    94    95    96
    93  HN     8.604934    7.158716  -18.987883   231    91
    94  H      9.270518    7.063169  -16.784898   233    92
    95  H      9.349727    5.424323  -17.228906   233    92
    96  H      7.857752    5.966220  -16.421503   233    92
96 12_Glycine
     1  C      2.350051   -1.421241   -6.602787   224     2     4     5     6
     2  C      2.289111   -1.931365   -8.046130   226     1     3     7
     3  O      2.814926   -3.021913   -8.281772   227     2
     4  H      3.372547   -1.325041   -6.292643   225     1
     5  H      1.888870   -2.197665   -5.866425   225     1
     6  H      1.740371   -0.540056   -6.398927   225     1
     7  N      1.376949   -1.310331   -8.803074     1     2     8    11
     8  CA     0.964039   -1.664553  -10.152125     2     7     9    12    13
     9  C     -0.383792   -1.201071  -10.629744     3     8    10    14
    10  O     -0.446947   -0.616088  -11.751450     5     9
    11  HN     1.015556   -0.419763   -8.515440     4     7
    12  H      1.818226   -1.193720  -10.771155     6     8
    13  H      0.948227   -2.719949  -10.354727     6     8
    14  N     -1.410298   -1.234818   -9.787279     1     9    15    18
    15  CA    -2.736712   -0.770180  -10.102376     2    14    16    19    20
    16  C     -3.526048   -1.880181  -10.830464     3    15    17    21
    17  O     -3.104383   -3.055331  -10.909161     5    16
    18  HN    -1.307321   -1.849230   -8.935222     4    14
    19  H     -3.346845   -0.454948   -9.209049     6    15
    20  H     -2.635402    0.070467  -10.807998     6    15
    21  N     -4.655803   -1.447811  -11.435376     1    16    22    25
    22  CA    -5.526019   -2.154156  -12.348242     2    21    23    26    27
    23  C     -7.023686   -1.883674  -12.300663     3    22    24    28
    24  O     -7.755632   -2.410463  -13.142277     5    23
    25  HN    -4.967305   -0.425165  -11.223809     4    21
    26  H     -5.140455   -1.954794  -13.396017     6    22
    27  H     -5.505946   -3.282236  -12.198390     6    22
    28  N     -7.535442   -1.173941  -11.233374     1    23    29    32
    29  CA    -8.947362   -0.767499  -10.904048     2    28    30    33    34
    30  C     -9.198915    0.770762  -11.066971     3    29    31    35
    31  O     -8.524472    1.479477  -11.839996     5    30
    32  HN    -6.817700   -0.836183  -10.517470     4    28
    33  H     -9.690651   -1.245300  -11.616843     6    29
    34  H     -9.142782   -0.959121   -9.839077     6    29
    35  N    -10.182893    1.312313  -10.344992     1    30    36    39
    36  CA   -10.484810    2.727064  -10.071307     2    35    37    40    41
    37  C     -9.514961    3.500221   -9.234501     3    36    38    42
    38  O     -8.576242    3.041914   -8.594981     5    37
    39  HN   -10.545032    0.680005   -9.612561     4    35
    40  H    -10.568841    3.194794  -11.121039     6    36
    41  H    -11.526795    2.958986   -9.643812     6    36
    42  N     -9.833865    4.828798   -9.185196     1    37    43    46
    43  CA    -9.313775    5.832090   -8.366670     2    42    44    47    48
    44  C     -8.125895    6.662986   -8.930665     3    43    45    49
    45  O     -7.552292    7.528479   -8.275079     5    44
    46  HN   -10.788816    5.082627   -9.502972     4    42
    47  H    -10.130441    6.507300   -7.976145     6    43
    48  H     -8.960180    5.350618   -7.355268     6    43
    49  N     -7.686130    6.390239  -10.215505     1    44    50    53
    50  CA    -6.627589    7.072673  -10.916181     2    49    51    54    55
    51  C     -6.544782    6.847279  -12.394694     3    50    52    56
    52  O     -7.395206    7.252172  -13.162679     5    51
    53  HN    -7.973466    5.551502  -10.727214     4    49
    54  H     -6.577728    8.183971  -10.770345     6    50
    55  H     -5.621675    6.774499  -10.545044     6    50
    56  N     -5.435896    6.258129  -12.881060     1    51    57    60
    57  CA    -5.140049    5.906926  -14.246148     2    56    58    61    62
    58  C     -4.087461    4.844168  -14.395021     3    57    59    63
    59  O     -3.815234    3.962034  -13.489041     5    58
    60  HN    -4.794746    5.823463  -12.180675     4    56
    61  H     -6.072324    5.568389  -14.797835     6    57
    62  H     -4.784044    6.825868  -14.795562     6    57
    63  N     -3.713767    4.632518  -15.677752     1    58    64    67
    64  CA    -2.893295    3.546743  -16.156175     2    63    65    68    69
    65  C     -1.471416    3.972693  -16.257661     3    64    66    70
    66  O     -0.974935    4.974966  -15.713310     5    65
    67  HN    -4.148866    5.254758  -16.370307     4    63
    68  H     -3.014917    2.632989  -15.457699     6    64
    69  H     -3.274483    3.258257  -17.191077     6    64
    70  N     -0.695790    3.164946  -17.056420     1    65    71    74
    71  CA     0.720555    3.362799  -17.316244     2    70    72    75    76
    72  C      0.972437    3.584580  -18.866199     3    71    73    77
    73  O      0.105604    4.097465  -19.640843     5    72
    74  HN    -1.050860    2.592097  -17.804315     4    70
    75  H      1.214509    4.134574  -16.737264     6    71
    76  H      1.258888    2.444617  -17.005068     6    71
    77  N      2.227653    3.270234  -19.313015     1    72    78    81
    78  CA     2.738478    3.535244  -20.607096     2    77    79    82    83
    79  C      3.032112    4.970940  -20.912104     3    78    80    84
    80  O      3.083540    5.865687  -19.996125     5    79
    81  HN     2.859273    2.743668  -18.664807     4    77
    82  H      3.611335    2.898602  -20.776862     6    78
    83  H      2.043976    3.115731  -21.353961     6    78
    84  N      3.549038    5.156367  -22.183121     1    79    85    88
    85  CA     4.406917    6.195336  -22.753974     2    84    86    89    90
    86  C      3.634507    7.387517  -23.347595     3    85    87    91
    87  O      2.391044    7.308780  -23.575487     5    86
    88  HN     3.328846    4.403001  -22.857474     4    84
    89  H      5.096935    6.518706  -21.999625     6    85
    90  H      5.012117    5.718992  -23.534954     6    85
    91  N      4.365285    8.523826  -23.586051   230    86    92    93
    92  C      3.992052    9.615956  -24.453997   232    91    94    95    96
    93  HN     5.310331    8.693351  -23.182794   231    91
    94  H      4.747717    9.735504  -25.262691   233    92
    95  H      3.877568   10.508109  -23.760873   233    92
    96  H      2.997155    9.401352  -24.973829   233    92
96 12_Glycine
     1  C     12.315334  -15.963443    9.088278   224     2     4     5     6
     2  C     13.340408  -16.894677    9.690595   226     1     3     7
     3  O     13.614350  -16.664126   10.869304   227     2
     4  H     12.805027  -15.021037    8.771840   225     1
     5  H     11.631528  -15.622280    9.869908   225     1
     6  H     11.651554  -16.461062    8.408173   225     1
     7  N     13.971633  -17.794614    8.887945     1     2     8    11
     8  CA    14.906089  -18.786978    9.455374     2     7     9    12    13
     9  C     14.882974  -20.234114    8.925611     3     8    10    14
    10  O     15.480306  -21.059503    9.609735     5     9
    11  HN    13.806658  -17.743520    7.874182     4     7
    12  H     15.884013  -18.365457    9.236514     6     8
    13  H     14.790433  -18.739454   10.540591     6     8
    14  N     14.238360  -20.547033    7.775255     1     9    15    18
    15  CA    14.331464  -21.845272    7.135168     2    14    16    19    20
    16  C     14.148288  -21.806552    5.593736     3    15    17    21
    17  O     14.702561  -20.984698    4.845395     5    16
    18  HN    13.489962  -19.995875    7.356842     4    14
    19  H     15.395004  -22.307898    7.211795     6    15
    20  H     13.660906  -22.549013    7.604695     6    15
    21  N     13.185666  -22.665667    5.122241     1    16    22    25
    22  CA    12.750376  -23.006083    3.770605     2    21    23    26    27
    23  C     11.306575  -22.658543    3.329018     3    22    24    28
    24  O     11.071064  -22.736493    2.118224     5    23
    25  HN    12.829752  -23.289735    5.861466     4    21
    26  H     13.324833  -22.625572    2.938452     6    22
    27  H     12.844997  -24.130585    3.628701     6    22
    28  N     10.456448  -22.377906    4.341386     1    23    29    32
    29  CA     8.994757  -22.117751    4.081085     2    28    30    33    34
    30  C      8.669775  -20.633981    4.272221     3    29    31    35
    31  O      8.390517  -19.952192    3.266893     5    30
    32  HN    10.819190  -22.118673    5.240941     4    28
    33  H      8.816763  -22.373434    2.984215     6    29
    34  H      8.497303  -22.831342    4.745574     6    29
    35  N      8.515154  -20.228838    5.567715     1    30    36    39
    36  CA     8.022252  -18.883409    5.903220     2    35    37    40    41
    37  C      6.494489  -18.621111    5.795843     3    36    38    42
    38  O      5.725015  -19.579074    5.553024     5    37
    39  HN     8.743108  -20.806477    6.361857     4    35
    40  H      8.289258  -18.609964    6.914035     6    36
    41  H      8.524578  -18.098752    5.307482     6    36
    42  N      6.119644  -17.433760    6.133329     1    37    43    46
    43  CA     4.704533  -17.006358    6.321863     2    42    44    47    48
    44  C      4.782645  -15.513140    6.776505     3    43    45    49
    45  O      5.348012  -14.594668    6.143137     5    44
    46  HN     6.756222  -16.725878    6.598349     4    42
    47  H      4.252223  -17.129028    5.270014     6    43
    48  H      4.221411  -17.670578    7.053157     6    43
    49  N      4.175938  -15.278202    7.983282     1    44    50    53
    50  CA     4.317125  -14.209524    8.882137     2    49    51    54    55
    51  C      4.738143  -14.780785   10.218495     3    50    52    56
    52  O      5.142980  -15.905417   10.309954     5    51
    53  HN     3.579349  -16.044608    8.345220     4    49
    54  H      5.086100  -13.417180    8.540014     6    50
    55  H      3.383712  -13.589851    9.047735     6    50
    56  N      4.780543  -13.929541   11.291449     1    51    57    60
    57  CA     5.257274  -14.106595   12.674839     2    56    58    61    62
    58  C      6.507072  -13.457312   13.245669     3    57    59    63
    59  O      7.068282  -14.009562   14.198996     5    58
    60  HN     4.478561  -12.920684   11.182809     4    56
    61  H      4.409827  -13.596332   13.284401     6    57
    62  H      5.313205  -15.206938   13.052681     6    57
    63  N      6.982103  -12.269641   12.776133     1    58    64    67
    64  CA     8.212462  -11.637599   13.197281     2    63    65    68    69
    65  C      9.392406  -12.164770   12.338615     3    64    66    70
    66  O      9.575546  -11.750415   11.195904     5    65
    67  HN     6.526433  -11.814756   11.979441     4    63
    68  H      8.260570  -10.445338   13.017702     6    64
    69  H      8.368662  -11.792626   14.308335     6    64
    70  N     10.214943  -13.050853   12.882867     1    65    71    74
    71  CA    11.309170  -13.552163   12.204910     2    70    72    75    76
    72  C     12.603307  -13.134501   12.904246     3    71    73    77
    73  O     13.236557  -12.135780   12.512774     5    72
    74  HN    10.013059  -13.307904   13.827153     4    70
    75  H     11.244799  -14.672840   11.953448     6    71
    76  H     11.431131  -13.125489   11.121976     6    71
    77  N     13.068361  -14.036491   13.811274     1    72    78    81
    78  CA    14.351709  -13.855568   14.482906     2    77    79    82    83
    79  C     14.162910  -12.737380   15.508709     3    78    80    84
    80  O     13.113938  -12.717591   16.189699     5    79
    81  HN    12.484051  -14.868402   14.100516     4    77
    82  H     14.585992  -14.831280   14.964249     6    78
    83  H     15.201584  -13.651970   13.724918     6    78
    84  N     15.150797  -11.898402   15.796946     1    79    85    88
    85  CA    15.098084  -10.978629   16.941284     2    84    86    89    90
    86  C     14.891895   -9.500176   16.685495     3    85    87    91
    87  O     15.037368   -8.667208   17.577017     5    86
    88  HN    15.991812  -11.854222   15.291389     4    84
    89  H     14.299143  -11.250064   17.640556     6    85
    90  H     16.071386  -11.076583   17.509165     6    85
    91  N     14.441148   -9.070051   15.442071   230    86    92    93
    92  C     14.158367   -7.769509   14.961717   232    91    94    95    96
    93  HN    14.442277   -9.745145   14.650468   231    91
    94  H     14.382989   -7.009046   15.817847   233    92
    95  H     13.141241   -7.548589   14.687782   233    92
    96  H     14.724904   -7.598464   14.006807   233    92
96 12_Glycine
     1  C     -0.068604   -1.977711   -6.550837   224     2     4     5     6
     2  C      0.914765   -2.999833   -7.038644   226     1     3     7
     3  O      1.189628   -3.944643   -6.337505   227     2
     4  H      0.218118   -1.466574   -5.593064   225     1
     5  H     -1.098785   -2.352276   -6.430209   225     1
     6  H     -0.336306   -1.126007   -7.259663   225     1
     7  N      1.309232   -2.890128   -8.333694     1     2     8    11
     8  CA     2.201845   -3.791733   -8.974009     2     7     9    12    13
     9  C      1.895428   -4.135852  -10.465490     3     8    10    14
    10  O      2.669776   -4.826445  -11.117397     5     9
    11  HN     1.156112   -1.951054   -8.862190     4     7
    12  H      3.252122   -3.456330   -9.006240     6     8
    13  H      2.296636   -4.741739   -8.428326     6     8
    14  N      0.756947   -3.674243  -11.020454     1     9    15    18
    15  CA     0.212306   -3.942134  -12.374392     2    14    16    19    20
    16  C     -0.947516   -5.009219  -12.397815     3    15    17    21
    17  O     -1.332566   -5.560060  -11.359606     5    16
    18  HN     0.090614   -3.190392  -10.442069     4    14
    19  H     -0.234852   -2.934952  -12.789602     6    15
    20  H      1.047953   -4.328549  -13.032549     6    15
    21  N     -1.578717   -5.260738  -13.561261     1    16    22    25
    22  CA    -2.476114   -6.278068  -13.866377     2    21    23    26    27
    23  C     -4.017937   -6.188446  -13.901095     3    22    24    28
    24  O     -4.678959   -7.224099  -14.066593     5    23
    25  HN    -1.200275   -4.672245  -14.361099     4    21
    26  H     -2.312951   -6.485863  -14.955485     6    22
    27  H     -2.357362   -7.187220  -13.239229     6    22
    28  N     -4.485215   -4.936947  -13.735082     1    23    29    32
    29  CA    -5.852581   -4.486781  -13.656472     2    28    30    33    34
    30  C     -5.753129   -3.056807  -13.160868     3    29    31    35
    31  O     -5.889901   -2.075434  -13.899779     5    30
    32  HN    -3.812302   -4.164160  -13.545227     4    28
    33  H     -6.295223   -4.439562  -14.661096     6    29
    34  H     -6.475742   -5.075462  -12.922254     6    29
    35  N     -5.393727   -2.862075  -11.843008     1    30    36    39
    36  CA    -5.185121   -1.586919  -11.122789     2    35    37    40    41
    37  C     -3.673049   -1.198781  -11.332748     3    36    38    42
    38  O     -2.839617   -2.115845  -11.474800     5    37
    39  HN    -5.089441   -3.712030  -11.268321     4    35
    40  H     -5.880190   -0.745805  -11.546760     6    36
    41  H     -5.355540   -1.698785  -10.022021     6    36
    42  N     -3.422685    0.107446  -11.188013     1    37    43    46
    43  CA    -2.100596    0.730533  -11.356500     2    42    44    47    48
    44  C     -2.052041    2.005018  -12.181281     3    43    45    49
    45  O     -1.105264    2.812423  -11.927712     5    44
    46  HN    -4.220687    0.793710  -10.996536     4    42
    47  H     -1.838210    0.911863  -10.273867     6    43
    48  H     -1.313368    0.061904  -11.754263     6    43
    49  N     -3.022260    2.329089  -13.055980     1    44    50    53
    50  CA    -3.132541    3.687566  -13.599418     2    49    51    54    55
    51  C     -2.220042    3.835105  -14.829098     3    50    52    56
    52  O     -1.284472    2.968487  -15.048316     5    51
    53  HN    -3.647411    1.630942  -13.342776     4    49
    54  H     -4.147721    3.855782  -14.024996     6    50
    55  H     -2.911296    4.605238  -12.941529     6    50
    56  N     -2.402846    4.936518  -15.610775     1    51    57    60
    57  CA    -1.522615    5.377975  -16.658410     2    56    58    61    62
    58  C     -1.617854    4.372487  -17.896588     3    57    59    63
    59  O     -2.480425    3.452812  -17.995058     5    58
    60  HN    -3.273849    5.531282  -15.530534     4    56
    61  H     -1.783712    6.429804  -16.956203     6    57
    62  H     -0.529570    5.532658  -16.240340     6    57
    63  N     -0.798579    4.698187  -18.891171     1    58    64    67
    64  CA    -0.618202    3.986829  -20.105904     2    63    65    68    69
    65  C      0.323144    2.787334  -19.795688     3    64    66    70
    66  O      0.713652    2.563141  -18.615015     5    65
    67  HN    -0.207064    5.472615  -18.833604     4    63
    68  H     -1.590670    3.625635  -20.374983     6    64
    69  H     -0.247873    4.642241  -20.943395     6    64
    70  N      0.519639    1.992348  -20.897435     1    65    71    74
    71  CA     1.363662    0.801177  -20.887671     2    70    72    75    76
    72  C      2.879165    1.134860  -20.929496     3    71    73    77
    73  O      3.218054    2.134358  -21.524591     5    72
    74  HN     0.162262    2.122792  -21.814153     4    70
    75  H      1.033304    0.253844  -19.942260     6    71
    76  H      1.071166    0.207887  -21.810231     6    71
    77  N      3.656813    0.186263  -20.375431     1    72    78    81
    78  CA     5.084287    0.308908  -20.328587     2    77    79    82    83
    79  C      5.453840    1.421868  -19.346125     3    78    80    84
    80  O      4.602489    2.065064  -18.707986     5    79
    81  HN     3.336252   -0.802851  -20.080460     4    77
    82  H      5.608126   -0.621857  -20.124835     6    78
    83  H      5.460890    0.574701  -21.361593     6    78
    84  N      6.721964    1.713458  -19.264604     1    79    85    88
    85  CA     7.386473    2.710808  -18.499253     2    84    86    89    90
    86  C      8.599623    2.071010  -17.868115     3    85    87    91
    87  O      8.744237    0.841236  -17.717123     5    86
    88  HN     7.325954    0.981612  -19.663654     4    84
    89  H      7.648294    3.572089  -19.163919     6    85
    90  H      6.756814    3.165613  -17.639964     6    85
    91  N      9.583177    2.962986  -17.695536   230    86    92    93
    92  C     10.956658    2.622697  -17.435175   232    91    94    95    96
    93  HN     9.474778    3.993049  -17.827461   231    91
    94  H     10.996258    1.535723  -17.157528   233    92
    95  H     11.278881    3.273997  -16.556373   233    92
    96  H     11.590393    2.785341  -18.246591   233    92
96 12_Glycine
     1  C      3.451443  -24.163841    9.366835   224     2     4     5     6
     2  C      4.932265  -23.676703    9.254132   226     1     3     7
     3  O      5.850463  -24.465175    9.407273   227     2
     4  H      3.288868  -24.472229   10.376834   225     1
     5  H      3.291969  -24.992412    8.629560   225     1
     6  H      2.875666  -23.262490    9.078882   225     1
     7  N      5.192398  -22.404037    8.922407     1     2     8    11
     8  CA     6.479998  -21.753329    8.951797     2     7     9    12    13
     9  C      6.840676  -21.124713    7.570675     3     8    10    14
    10  O      7.636660  -20.203167    7.556178     5     9
    11  HN     4.439915  -21.733641    8.800619     4     7
    12  H      6.421417  -21.062518    9.719906     6     8
    13  H      7.367651  -22.409206    9.243820     6     8
    14  N      6.091171  -21.498617    6.494836     1     9    15    18
    15  CA     6.164610  -20.893695    5.163461     2    14    16    19    20
    16  C      7.356178  -21.508289    4.402610     3    15    17    21
    17  O      7.874961  -20.843259    3.486210     5    16
    18  HN     5.522524  -22.346440    6.433554     4    14
    19  H      5.313682  -21.126940    4.569104     6    15
    20  H      6.325774  -19.832144    5.220370     6    15
    21  N      7.838242  -22.724337    4.682399     1    16    22    25
    22  CA     9.047484  -23.197661    4.129686     2    21    23    26    27
    23  C     10.342286  -22.504307    4.587486     3    22    24    28
    24  O     11.335097  -22.343010    3.899859     5    23
    25  HN     7.408126  -23.320794    5.377010     4    21
    26  H      9.055098  -24.275176    4.238564     6    22
    27  H      9.033140  -23.143003    3.002036     6    22
    28  N     10.370198  -22.177058    5.887487     1    23    29    32
    29  CA    11.432896  -21.580565    6.674373     2    28    30    33    34
    30  C     10.937657  -20.224570    7.194265     3    29    31    35
    31  O     10.659808  -19.395683    6.351421     5    30
    32  HN     9.387834  -22.343942    6.323635     4    28
    33  H     11.810238  -22.298892    7.466155     6    29
    34  H     12.336645  -21.146297    6.129820     6    29
    35  N     10.733516  -20.126090    8.520322     1    30    36    39
    36  CA    10.143258  -19.004859    9.231624     2    35    37    40    41
    37  C     11.021915  -18.230704   10.130476     3    36    38    42
    38  O     12.254295  -18.297049   10.003315     5    37
    39  HN    10.744750  -21.002208    9.078087     4    35
    40  H      9.523300  -18.360058    8.491868     6    36
    41  H      9.243856  -19.395880    9.849867     6    36
    42  N     10.453380  -17.480754   11.072725     1    37    43    46
    43  CA    11.181410  -16.738839   12.180941     2    42    44    47    48
    44  C     11.918805  -15.539420   11.573873     3    43    45    49
    45  O     11.411702  -15.034439   10.572418     5    44
    46  HN     9.536983  -17.116767   10.914125     4    42
    47  H     10.349559  -16.350365   12.863669     6    43
    48  H     11.861320  -17.452115   12.853183     6    43
    49  N     13.162912  -15.366387   12.071797     1    44    50    53
    50  CA    14.187588  -14.430589   11.700889     2    49    51    54    55
    51  C     13.898196  -13.040582   12.345359     3    50    52    56
    52  O     12.787383  -12.755106   12.639641     5    51
    53  HN    13.424794  -16.039594   12.829462     4    49
    54  H     15.178256  -14.884795   11.950021     6    50
    55  H     14.185653  -14.239326   10.585063     6    50
    56  N     15.007522  -12.238277   12.335765     1    51    57    60
    57  CA    15.014327  -10.909058   12.968371     2    56    58    61    62
    58  C     14.707106  -10.912774   14.466064     3    57    59    63
    59  O     15.069520  -11.875784   15.131161     5    58
    60  HN    15.909786  -12.526628   12.029929     4    56
    61  H     15.906918  -10.287862   12.805920     6    57
    62  H     14.241934  -10.263897   12.444021     6    57
    63  N     14.026762   -9.903334   14.975811     1    58    64    67
    64  CA    13.711204   -9.617592   16.374981     2    63    65    68    69
    65  C     14.661847   -8.501992   16.918242     3    64    66    70
    66  O     15.819854   -8.373597   16.357253     5    65
    67  HN    13.731660   -9.204495   14.305336     4    63
    68  H     12.668925   -9.348672   16.601048     6    64
    69  H     13.985154  -10.573821   16.979060     6    64
    70  N     14.274701   -7.788766   17.998629     1    65    71    74
    71  CA    15.072576   -6.817989   18.766048     2    70    72    75    76
    72  C     14.346306   -5.483513   18.822616     3    71    73    77
    73  O     13.122685   -5.357335   18.595018     5    72
    74  HN    13.264780   -7.739014   18.161906     4    70
    75  H     15.121327   -7.133768   19.793813     6    71
    76  H     16.067358   -6.732771   18.307166     6    71
    77  N     15.144349   -4.413730   19.216592     1    72    78    81
    78  CA    14.932382   -3.043024   19.239853     2    77    79    82    83
    79  C     15.834047   -2.093746   18.475756     3    78    80    84
    80  O     15.634109   -0.861531   18.483640     5    79
    81  HN    16.085020   -4.680029   19.565251     4    77
    82  H     13.907336   -2.715591   19.040623     6    78
    83  H     15.055269   -2.600788   20.237047     6    78
    84  N     16.821562   -2.675366   17.763375     1    79    85    88
    85  CA    17.848485   -1.941384   17.091746     2    84    86    89    90
    86  C     18.845305   -1.400092   18.041698     3    85    87    91
    87  O     19.217606   -1.991122   19.116181     5    86
    88  HN    16.739247   -3.692877   17.589786     4    84
    89  H     18.446921   -2.673575   16.426750     6    85
    90  H     17.483261   -1.118622   16.458111     6    85
    91  N     19.521694   -0.264293   17.639832   230    86    92    93
    92  C     20.510978    0.514006   18.411394   232    91    94    95    96
    93  HN    19.377589    0.139538   16.700218   231    91
    94  H     21.461939   -0.064919   18.497524   233    92
    95  H     20.121175    0.856843   19.392071   233    92
    96  H     20.731939    1.394931   17.849570   233    92
96 12_Glycine
     1  C     14.515189   -5.306529    9.347856   224     2     4     5     6
     2  C     15.526915   -4.166658    9.406947   226     1     3     7
     3  O     16.037987   -3.882231   10.506424   227     2
     4  H     13.884676   -5.225184    8.377856   225     1
     5  H     13.818009   -5.303590   10.243456   225     1
     6  H     15.019764   -6.337700    9.408839   225     1
     7  N     15.827005   -3.536503    8.293119     1     2     8    11
     8  CA    16.680625   -2.375075    8.218641     2     7     9    12    13
     9  C     17.294240   -2.138618    6.786698     3     8    10    14
    10  O     17.691874   -3.075902    6.105712     5     9
    11  HN    15.624841   -3.923507    7.349724     4     7
    12  H     16.160147   -1.458730    8.516260     6     8
    13  H     17.528015   -2.507238    8.981406     6     8
    14  N     17.654751   -0.846612    6.521506     1     9    15    18
    15  CA    18.133188   -0.394851    5.287128     2    14    16    19    20
    16  C     17.291489    0.822367    4.841036     3    15    17    21
    17  O     16.257142    1.206673    5.435773     5    16
    18  HN    17.421409   -0.084899    7.148661     4    14
    19  H     19.226241   -0.114750    5.498575     6    15
    20  H     17.982828   -1.150874    4.513938     6    15
    21  N     17.794972    1.447998    3.720784     1    16    22    25
    22  CA    17.254477    2.660270    3.107120     2    21    23    26    27
    23  C     18.311181    3.736831    3.053044     3    22    24    28
    24  O     19.507018    3.517417    3.304754     5    23
    25  HN    18.785728    1.236412    3.441838     4    21
    26  H     17.037141    2.446819    2.071143     6    22
    27  H     16.330722    3.042338    3.541061     6    22
    28  N     17.939523    5.009586    2.674021     1    23    29    32
    29  CA    18.948543    6.076937    2.661694     2    28    30    33    34
    30  C     18.477110    7.284580    3.506226     3    29    31    35
    31  O     17.631840    7.141057    4.378696     5    30
    32  HN    16.971102    5.401644    2.624766     4    28
    33  H     19.992688    5.788720    3.030244     6    29
    34  H     19.167194    6.494876    1.678331     6    29
    35  N     19.412582    8.295901    3.512531     1    30    36    39
    36  CA    19.246113    9.413124    4.365811     2    35    37    40    41
    37  C     18.714535   10.620974    3.610302     3    36    38    42
    38  O     18.495377   10.604396    2.380759     5    37
    39  HN    20.046287    8.507150    2.712435     4    35
    40  H     18.625179    9.181394    5.200522     6    36
    41  H     20.192230    9.731530    4.770186     6    36
    42  N     18.362095   11.714837    4.339826     1    37    43    46
    43  CA    18.128534   13.049136    3.814303     2    42    44    47    48
    44  C     18.338423   14.064396    4.952613     3    43    45    49
    45  O     19.138394   13.876519    5.853237     5    44
    46  HN    18.699417   11.715320    5.339092     4    42
    47  H     18.915661   13.349815    3.130968     6    43
    48  H     17.049865   13.037691    3.397508     6    43
    49  N     17.459781   15.076562    4.945597     1    44    50    53
    50  CA    17.597075   16.233864    5.816213     2    49    51    54    55
    51  C     18.081871   17.391167    4.951845     3    50    52    56
    52  O     18.757208   17.205883    3.926387     5    51
    53  HN    16.679077   15.072373    4.298346     4    49
    54  H     16.628082   16.366950    6.351764     6    50
    55  H     18.438784   16.010375    6.535674     6    50
    56  N     17.629205   18.590633    5.350792     1    51    57    60
    57  CA    17.979052   19.843710    4.659038     2    56    58    61    62
    58  C     16.903243   20.929264    4.766728     3    57    59    63
    59  O     17.192598   22.005649    4.298293     5    58
    60  HN    17.223048   18.690880    6.307929     4    56
    61  H     18.949414   20.215418    5.156816     6    57
    62  H     18.144379   19.692677    3.548141     6    57
    63  N     15.627817   20.614852    5.134457     1    58    64    67
    64  CA    14.463121   21.509784    5.076145     2    63    65    68    69
    65  C     13.737654   21.381551    3.727148     3    64    66    70
    66  O     14.244746   21.065545    2.665383     5    65
    67  HN    15.344030   19.690628    5.439593     4    63
    68  H     13.762590   21.233591    5.924708     6    64
    69  H     14.671260   22.576389    5.300949     6    64
    70  N     12.402334   21.557435    3.828378     1    65    71    74
    71  CA    11.472782   21.733842    2.727861     2    70    72    75    76
    72  C     11.612552   23.129792    2.147186     3    71    73    77
    73  O     12.555499   23.832321    2.418523     5    72
    74  HN    12.036121   21.762320    4.712614     4    70
    75  H     11.698656   20.844565    2.028999     6    71
    76  H     10.438410   21.633103    3.027234     6    71
    77  N     10.627887   23.387527    1.224387     1    72    78    81
    78  CA    10.356692   24.648061    0.615508     2    77    79    82    83
    79  C      9.924858   25.669728    1.663627     3    78    80    84
    80  O      9.781188   25.365544    2.805410     5    79
    81  HN    10.076692   22.612622    0.813243     4    77
    82  H     11.218636   25.067166   -0.037697     6    78
    83  H      9.543200   24.600247   -0.168731     6    78
    84  N      9.576046   26.915307    1.195899     1    79    85    88
    85  CA     8.919542   27.923840    2.073890     2    84    86    89    90
    86  C      7.375906   27.851069    2.101453     3    85    87    91
    87  O      6.753163   26.949834    1.507033     5    86
    88  HN     9.652651   27.352822    0.316980     4    84
    89  H      9.334937   27.788378    3.165826     6    85
    90  H      9.356883   28.908040    1.848319     6    85
    91  N      6.770569   28.839049    2.868102   230    86    92    93
    92  C      5.340132   28.837361    3.046981   232    91    94    95    96
    93  HN     7.353887   29.620997    3.144771   231    91
    94  H      4.784008   28.057854    2.437177   233    92
    95  H      4.852135   29.803359    2.829221   233    92
    96  H      5.246415   28.735235    4.146159   233    92
96 12_Glycine
     1  C      3.328039    3.374021    1.098605   224     2     4     5     6
     2  C      2.220558    4.310340    1.493518   226     1     3     7
     3  O      2.458029    5.533207    1.725512   227     2
     4  H      4.042892    3.869015    0.421196   225     1
     5  H      3.110086    2.376634    0.714767   225     1
     6  H      4.005962    3.158531    1.986354   225     1
     7  N      0.994658    3.763231    1.585063     1     2     8    11
     8  CA    -0.150658    4.491533    2.004952     2     7     9    12    13
     9  C     -1.141983    4.794024    0.834241     3     8    10    14
    10  O     -0.857988    4.464872   -0.356859     5     9
    11  HN     0.892888    2.732723    1.562547     4     7
    12  H     -0.704324    4.064336    2.848549     6     8
    13  H      0.163391    5.446198    2.465806     6     8
    14  N     -2.224791    5.634915    1.039878     1     9    15    18
    15  CA    -3.071106    6.159426   -0.031054     2    14    16    19    20
    16  C     -2.642071    7.592381   -0.328317     3    15    17    21
    17  O     -1.788795    8.178675    0.365378     5    16
    18  HN    -2.335065    6.170918    1.937339     4    14
    19  H     -2.942344    5.575227   -0.940510     6    15
    20  H     -4.138068    6.038275    0.284435     6    15
    21  N     -3.504898    8.193301   -1.267563     1    16    22    25
    22  CA    -3.483229    9.601207   -1.679587     2    21    23    26    27
    23  C     -4.057079   10.555442   -0.644718     3    22    24    28
    24  O     -4.279880   10.257871    0.510624     5    23
    25  HN    -4.269863    7.634031   -1.601055     4    21
    26  H     -2.434525    9.835709   -1.820447     6    22
    27  H     -4.104562    9.754346   -2.596168     6    22
    28  N     -4.132528   11.852120   -1.082797     1    23    29    32
    29  CA    -4.333163   12.955170   -0.286919     2    28    30    33    34
    30  C     -5.720060   13.026772    0.206797     3    29    31    35
    31  O     -6.740782   12.632662   -0.394705     5    30
    32  HN    -3.892195   12.051982   -2.072744     4    28
    33  H     -3.520293   13.116756    0.427680     6    29
    34  H     -4.236797   13.848245   -0.975228     6    29
    35  N     -5.845530   13.820040    1.323255     1    30    36    39
    36  CA    -7.144612   14.044514    1.951027     2    35    37    40    41
    37  C     -7.230070   15.405880    2.839535     3    36    38    42
    38  O     -7.843366   15.506097    3.901141     5    37
    39  HN    -5.067851   14.300179    1.771541     4    35
    40  H     -7.925331   14.178334    1.177562     6    36
    41  H     -7.550607   13.145381    2.630148     6    36
    42  N     -6.520764   16.421874    2.336928     1    37    43    46
    43  CA    -6.368256   17.736730    2.891932     2    42    44    47    48
    44  C     -7.433384   18.720983    2.421505     3    43    45    49
    45  O     -8.381799   18.350301    1.723711     5    44
    46  HN    -6.000947   16.364082    1.431217     4    42
    47  H     -6.349816   17.711627    4.012012     6    43
    48  H     -5.432975   18.184749    2.559847     6    43
    49  N     -7.253394   20.057395    2.754718     1    44    50    53
    50  CA    -8.016394   21.206103    2.345770     2    49    51    54    55
    51  C     -7.086725   22.425649    2.091367     3    50    52    56
    52  O     -5.952051   22.273002    1.695149     5    51
    53  HN    -6.522409   20.291355    3.457864     4    49
    54  H     -8.569958   20.939039    1.423323     6    50
    55  H     -8.793122   21.430256    3.059451     6    50
    56  N     -7.691377   23.634513    2.419888     1    51    57    60
    57  CA    -7.045757   24.919591    2.067403     2    56    58    61    62
    58  C     -8.138071   25.830734    1.570260     3    57    59    63
    59  O     -9.334550   25.553520    1.412611     5    58
    60  HN    -8.642544   23.690393    2.860847     4    56
    61  H     -6.447616   25.461904    2.871657     6    57
    62  H     -6.250794   24.720267    1.224549     6    57
    63  N     -7.780270   27.164563    1.399559     1    58    64    67
    64  CA    -8.611938   28.260017    1.035910     2    63    65    68    69
    65  C     -9.301760   27.989672   -0.314361     3    64    66    70
    66  O     -8.780816   27.175444   -1.151990     5    65
    67  HN    -6.859926   27.524726    1.671374     4    63
    68  H     -9.448819   28.472045    1.836040     6    64
    69  H     -7.932567   29.140758    0.845221     6    64
    70  N    -10.453088   28.704687   -0.503087     1    65    71    74
    71  CA   -11.213200   28.722181   -1.740598     2    70    72    75    76
    72  C    -10.828709   29.722871   -2.901327     3    71    73    77
    73  O     -9.957253   30.564267   -2.673251     5    72
    74  HN   -10.864143   29.265001    0.223239     4    70
    75  H    -11.204089   27.753035   -2.187630     6    71
    76  H    -12.282945   28.928664   -1.422129     6    71
    77  N    -11.404179   29.647667   -4.109212     1    72    78    81
    78  CA   -11.070335   30.341446   -5.252611     2    77    79    82    83
    79  C    -11.676415   29.691503   -6.526403     3    78    80    84
    80  O    -12.391576   28.683712   -6.399411     5    79
    81  HN   -12.173841   28.953289   -4.207372     4    77
    82  H    -11.530274   31.387075   -5.212162     6    78
    83  H     -9.946855   30.367864   -5.342974     6    78
    84  N    -11.363462   30.159931   -7.723258     1    79    85    88
    85  CA   -11.754595   29.653327   -9.056525     2    84    86    89    90
    86  C    -13.241548   29.539267   -9.343548     3    85    87    91
    87  O    -14.010606   30.245633   -8.708554     5    86
    88  HN   -11.074409   31.143669   -7.821899     4    84
    89  H    -11.313659   30.347501   -9.842386     6    85
    90  H    -11.179823   28.677381   -9.219527     6    85
    91  N    -13.639744   28.740341  -10.404255   230    86    92    93
    92  C    -15.030624   28.614353  -10.768651   232    91    94    95    96
    93  HN   -12.982925   28.071917  -10.907585   231    91
    94  H    -15.122283   29.053226  -11.891218   233    92
    95  H    -15.683434   29.189124   -9.990389   233    92
    96  H    -15.299824   27.513287  -10.805780   233    92
96 12_Glycine
     1  C     21.437674   13.667424   -3.655581   224     2     4     5     6
     2  C     20.225338   12.904064   -3.447883   226     1     3     7
     3  O     19.924153   11.941786   -4.166767   227     2
     4  H     21.448519   14.248826   -4.663003   225     1
     5  H     22.310786   13.032354   -3.662048   225     1
     6  H     21.526430   14.503528   -2.862824   225     1
     7  N     19.347281   13.365284   -2.546108     1     2     8    11
     8  CA    17.981370   12.847689   -2.459538     2     7     9    12    13
     9  C     16.936586   13.338374   -3.456582     3     8    10    14
    10  O     17.271737   13.586154   -4.641987     5     9
    11  HN    19.634958   13.981151   -1.794907     4     7
    12  H     18.018650   11.781569   -2.338028     6     8
    13  H     17.621213   13.195109   -1.487951     6     8
    14  N     15.595550   13.268740   -3.017825     1     9    15    18
    15  CA    14.418565   13.701707   -3.733505     2    14    16    19    20
    16  C     13.026122   12.999456   -3.458323     3    15    17    21
    17  O     11.972227   13.497586   -3.823621     5    16
    18  HN    15.402539   12.860771   -2.123607     4    14
    19  H     14.293340   14.710777   -3.394557     6    15
    20  H     14.603500   13.781014   -4.917826     6    15
    21  N     13.050996   11.984287   -2.549020     1    16    22    25
    22  CA    11.760742   11.399778   -2.201926     2    21    23    26    27
    23  C     11.221718   10.454457   -3.299427     3    22    24    28
    24  O     11.734096   10.418450   -4.476313     5    23
    25  HN    13.959982   11.446950   -2.330233     4    21
    26  H     11.850559   10.883699   -1.173887     6    22
    27  H     10.952486   12.142236   -2.122275     6    22
    28  N     10.293513    9.558880   -2.883552     1    23    29    32
    29  CA     9.710468    8.596952   -3.839861     2    28    30    33    34
    30  C      9.107205    7.336223   -3.222540     3    29    31    35
    31  O      9.190456    7.131415   -1.975847     5    30
    32  HN     9.991368    9.520432   -1.963376     4    28
    33  H      8.956468    9.118253   -4.466605     6    29
    34  H     10.487731    8.384333   -4.555766     6    29
    35  N      8.427247    6.549178   -4.078167     1    30    36    39
    36  CA     8.012347    5.194404   -3.749003     2    35    37    40    41
    37  C      7.303103    4.558923   -4.908430     3    36    38    42
    38  O      7.753143    4.765709   -6.037982     5    37
    39  HN     8.105849    6.907677   -5.060299     4    35
    40  H      8.905388    4.579568   -3.583319     6    36
    41  H      7.326226    5.171123   -2.812751     6    36
    42  N      6.217940    3.790925   -4.557753     1    37    43    46
    43  CA     5.289934    3.237462   -5.567788     2    42    44    47    48
    44  C      3.863144    3.763056   -5.149897     3    43    45    49
    45  O      3.756013    4.797722   -4.523208     5    44
    46  HN     5.898162    3.751076   -3.567841     4    42
    47  H      5.599241    3.616297   -6.585721     6    43
    48  H      5.354336    2.153531   -5.518149     6    43
    49  N      2.831123    3.101012   -5.714002     1    44    50    53
    50  CA     1.452845    3.404067   -5.381712     2    49    51    54    55
    51  C      1.078668    2.774788   -4.072520     3    50    52    56
    52  O      1.616838    1.703357   -3.748089     5    51
    53  HN     2.990942    2.365890   -6.399314     4    49
    54  H      1.405597    4.547241   -5.235745     6    50
    55  H      0.710594    3.216626   -6.221732     6    50
    56  N      0.073122    3.367640   -3.310417     1    51    57    60
    57  CA    -0.326442    2.905646   -2.009039     2    56    58    61    62
    58  C     -1.783108    2.737354   -1.727228     3    57    59    63
    59  O     -2.208001    2.449285   -0.586545     5    58
    60  HN    -0.406304    4.222198   -3.666689     4    56
    61  H      0.062838    1.838360   -1.917626     6    57
    62  H      0.149633    3.527063   -1.183551     6    57
    63  N     -2.636831    2.881438   -2.727449     1    58    64    67
    64  CA    -4.063897    2.992775   -2.458340     2    63    65    68    69
    65  C     -4.690476    1.608366   -2.701447     3    64    66    70
    66  O     -4.287430    0.635368   -2.096374     5    65
    67  HN    -2.528818    2.679818   -3.742875     4    63
    68  H     -4.308769    3.366110   -1.450836     6    64
    69  H     -4.449545    3.739241   -3.134960     6    64
    70  N     -5.908864    1.608781   -3.420848     1    65    71    74
    71  CA    -6.918066    0.533672   -3.521208     2    70    72    75    76
    72  C     -8.383507    1.043502   -3.307361     3    71    73    77
    73  O     -8.555332    2.004022   -2.530287     5    72
    74  HN    -6.235584    2.534276   -3.788376     4    70
    75  H     -6.860636   -0.043519   -4.573601     6    71
    76  H     -6.729071   -0.226216   -2.739927     6    71
    77  N     -9.359461    0.386483   -4.029039     1    72    78    81
    78  CA   -10.742341    0.692154   -4.092470     2    77    79    82    83
    79  C    -11.152574    1.697689   -5.235169     3    78    80    84
    80  O    -10.310649    2.304238   -5.882993     5    79
    81  HN    -9.038299   -0.469264   -4.581506     4    77
    82  H    -11.356335   -0.245181   -4.262995     6    78
    83  H    -11.105632    1.071444   -3.074147     6    78
    84  N    -12.445075    1.958275   -5.521015     1    79    85    88
    85  CA   -12.998430    2.961629   -6.461142     2    84    86    89    90
    86  C    -13.978312    2.463218   -7.458667     3    85    87    91
    87  O    -14.224986    1.258456   -7.471715     5    86
    88  HN   -13.152851    1.286873   -5.103952     4    84
    89  H    -13.607362    3.658045   -5.885715     6    85
    90  H    -12.225133    3.604586   -6.906217     6    85
    91  N    -14.596353    3.351759   -8.306515   230    86    92    93
    92  C    -15.535365    3.072841   -9.401040   232    91    94    95    96
    93  HN   -14.408092    4.336661   -8.045910   231    91
    94  H    -15.159276    3.301457  -10.411115   233    92
    95  H    -16.498710    3.663640   -9.254511   233    92
    96  H    -15.688924    1.925114   -9.369706   233    92
96 12_Glycine
     1  C      6.092987  -19.300498    4.877467   224     2     4     5     6
     2  C      6.880124  -18.456779    3.955163   226     1     3     7
     3  O      7.783237  -18.929919    3.218625   227     2
     4  H      6.384718  -20.416083    4.987442   225     1
     5  H      5.040518  -19.230136    4.639537   225     1
     6  H      6.348116  -18.852161    5.903453   225     1
     7  N      6.622408  -17.033128    3.960394     1     2     8    11
     8  CA     7.191001  -16.044801    3.087269     2     7     9    12    13
     9  C      6.758694  -16.160937    1.627856     3     8    10    14
    10  O      7.238546  -15.527881    0.677903     5     9
    11  HN     6.165686  -16.511980    4.767752     4     7
    12  H      6.977265  -14.978104    3.377378     6     8
    13  H      8.316516  -16.231004    3.098732     6     8
    14  N      5.686712  -17.085761    1.463219     1     9    15    18
    15  CA     5.141596  -17.323717    0.135503     2    14    16    19    20
    16  C      5.786763  -18.468089   -0.693093     3    15    17    21
    17  O      5.557036  -18.601749   -1.876620     5    16
    18  HN     5.152623  -17.602031    2.230275     4    14
    19  H      4.063636  -17.526951    0.208840     6    15
    20  H      5.366128  -16.405955   -0.498759     6    15
    21  N      6.590874  -19.330993   -0.020736     1    16    22    25
    22  CA     7.297180  -20.443085   -0.586323     2    21    23    26    27
    23  C      8.854848  -20.494896   -0.398223     3    22    24    28
    24  O      9.538727  -21.431212   -0.915160     5    23
    25  HN     6.547134  -19.484926    1.013236     4    21
    26  H      6.931785  -21.402228   -0.303128     6    22
    27  H      7.295148  -20.258594   -1.693532     6    22
    28  N      9.307528  -19.586336    0.443987     1    23    29    32
    29  CA    10.735323  -19.375738    0.766145     2    28    30    33    34
    30  C     11.028895  -17.972662    1.267164     3    29    31    35
    31  O     10.325580  -17.034653    0.906499     5    30
    32  HN     8.592193  -19.034918    0.906940     4    28
    33  H     10.947002  -20.144713    1.542461     6    29
    34  H     11.410109  -19.616522   -0.075719     6    29
    35  N     12.204938  -17.860157    2.002430     1    30    36    39
    36  CA    12.848203  -16.589627    2.532463     2    35    37    40    41
    37  C     12.877326  -16.633591    4.054220     3    36    38    42
    38  O     12.525107  -17.575232    4.718803     5    37
    39  HN    12.685919  -18.692370    2.428064     4    35
    40  H     13.823485  -16.399886    2.146751     6    36
    41  H     12.358527  -15.734489    2.095936     6    36
    42  N     13.189282  -15.496384    4.650596     1    37    43    46
    43  CA    13.172912  -15.221632    6.085838     2    42    44    47    48
    44  C     14.584951  -15.282013    6.691213     3    43    45    49
    45  O     15.465900  -15.816969    6.030911     5    44
    46  HN    13.275587  -14.669501    3.941788     4    42
    47  H     12.710559  -14.243224    6.134931     6    43
    48  H     12.394731  -15.839892    6.602215     6    43
    49  N     14.651318  -14.648816    7.886611     1    44    50    53
    50  CA    15.846180  -14.537294    8.675093     2    49    51    54    55
    51  C     16.693971  -13.305510    8.420896     3    50    52    56
    52  O     16.616797  -12.607747    7.412517     5    51
    53  HN    13.904371  -14.060282    8.305672     4    49
    54  H     15.559687  -14.597349    9.789002     6    50
    55  H     16.473903  -15.440270    8.525995     6    50
    56  N     17.620154  -13.083084    9.405472     1    51    57    60
    57  CA    18.632349  -12.062403    9.412191     2    56    58    61    62
    58  C     18.902106  -11.375440   10.767472     3    57    59    63
    59  O     17.900933  -11.062755   11.466071     5    58
    60  HN    17.660093  -13.704020   10.212734     4    56
    61  H     19.669063  -12.318192    9.083039     6    57
    62  H     18.283082  -11.239661    8.787879     6    57
    63  N     20.223663  -11.074767   11.018705     1    58    64    67
    64  CA    20.545522  -10.561390   12.332983     2    63    65    68    69
    65  C     20.895701  -11.716148   13.277392     3    64    66    70
    66  O     20.472560  -12.891210   13.208602     5    65
    67  HN    21.030652  -11.282071   10.384840     4    63
    68  H     21.375105   -9.901821   12.221441     6    64
    69  H     19.818307   -9.779348   12.750639     6    64
    70  N     21.579183  -11.302729   14.375988     1    65    71    74
    71  CA    21.808990  -12.000710   15.617577     2    70    72    75    76
    72  C     21.159868  -11.193345   16.779194     3    71    73    77
    73  O     20.058785  -10.649954   16.671838     5    72
    74  HN    21.895460  -10.292602   14.395035     4    70
    75  H     21.284916  -12.974309   15.593866     6    71
    76  H     22.876581  -12.182469   15.747272     6    71
    77  N     21.926196  -11.054577   17.853928     1    72    78    81
    78  CA    21.594149  -10.467900   19.109008     2    77    79    82    83
    79  C     22.794612   -9.884574   19.819219     3    78    80    84
    80  O     23.751175   -9.517683   19.124099     5    79
    81  HN    22.906002  -11.192361   17.727228     4    77
    82  H     20.877642   -9.625610   19.009702     6    78
    83  H     21.137984  -11.220114   19.776642     6    78
    84  N     22.624436   -9.651757   21.158294     1    79    85    88
    85  CA    23.629501   -9.112418   22.023604     2    84    86    89    90
    86  C     24.780711  -10.041343   22.267594     3    85    87    91
    87  O     24.895484  -11.140681   21.639298     5    86
    88  HN    21.774162   -9.850335   21.768514     4    84
    89  H     23.978668   -8.136154   21.631296     6    85
    90  H     23.241963   -8.826766   23.029553     6    85
    91  N     25.712860   -9.726481   23.150005   230    86    92    93
    92  C     26.901924  -10.483176   23.440189   232    91    94    95    96
    93  HN    25.630580   -8.870457   23.617349   231    91
    94  H     27.287691  -11.219588   22.673885   233    92
    95  H     26.863981  -10.957405   24.422366   233    92
    96  H     27.706911   -9.694723   23.503695   233    92
96 12_Glycine
     1  C      4.327334    4.797039   18.391400   224     2     4     5     6
     2  C      4.534776    6.319600   18.335015   226     1     3     7
     3  O      5.506244    6.857643   18.855805   227     2
     4  H      3.310133    4.412144   18.727229   225     1
     5  H      5.133724    4.233933   19.036819   225     1
     6  H      4.528222    4.448614   17.321967   225     1
     7  N      3.543155    6.965591   17.668049     1     2     8    11
     8  CA     3.646861    8.399668   17.309675     2     7     9    12    13
     9  C      2.254803    9.012713   17.498279     3     8    10    14
    10  O      1.390492    8.488166   18.281958     5     9
    11  HN     2.784257    6.478841   17.181363     4     7
    12  H      4.317922    8.844615   18.047496     6     8
    13  H      4.109221    8.551783   16.208190     6     8
    14  N      2.103897   10.158587   16.776360     1     9    15    18
    15  CA     0.915510   10.907563   16.910770     2    14    16    19    20
    16  C      1.308311   12.309963   17.470151     3    15    17    21
    17  O      2.078845   12.445898   18.459357     5    16
    18  HN     2.804266   10.442104   16.132412     4    14
    19  H      0.348882   10.947845   15.906002     6    15
    20  H      0.271789   10.496031   17.730229     6    15
    21  N      0.404979   13.254235   17.074082     1    16    22    25
    22  CA     0.268173   14.595251   17.682701     2    21    23    26    27
    23  C     -0.595211   15.673700   17.140420     3    22    24    28
    24  O     -0.247475   16.874485   17.275515     5    23
    25  HN    -0.000634   13.092093   16.183089     4    21
    26  H      0.026805   14.580378   18.847932     6    22
    27  H      1.266136   15.080914   17.591449     6    22
    28  N     -1.711267   15.260244   16.535756     1    23    29    32
    29  CA    -2.813937   16.062759   15.994362     2    28    30    33    34
    30  C     -3.679325   15.279216   15.040136     3    29    31    35
    31  O     -3.482517   14.082152   14.887051     5    30
    32  HN    -1.968955   14.257753   16.663952     4    28
    33  H     -3.467741   16.500771   16.802124     6    29
    34  H     -2.394791   16.909724   15.369100     6    29
    35  N     -4.642703   16.036404   14.403714     1    30    36    39
    36  CA    -5.538908   15.469821   13.512821     2    35    37    40    41
    37  C     -5.812687   16.341577   12.394212     3    36    38    42
    38  O     -4.853780   16.822303   11.729821     5    37
    39  HN    -4.684628   17.033485   14.484885     4    35
    40  H     -5.126075   14.500728   13.044326     6    36
    41  H     -6.472604   15.236387   13.992799     6    36
    42  N     -7.139587   16.531518   12.129036     1    37    43    46
    43  CA    -7.665701   17.676209   11.369796     2    42    44    47    48
    44  C     -8.059439   18.939770   12.232666     3    43    45    49
    45  O     -7.348003   19.343386   13.174731     5    44
    46  HN    -7.912721   15.940778   12.539063     4    42
    47  H     -6.821891   17.982156   10.679843     6    43
    48  H     -8.571481   17.447115   10.753755     6    43
    49  N     -9.062721   19.671214   11.747404     1    44    50    53
    50  CA    -9.586561   20.976081   12.246343     2    49    51    54    55
    51  C    -10.394729   20.771476   13.483147     3    50    52    56
    52  O    -10.318675   19.780652   14.108785     5    51
    53  HN    -9.561949   19.345477   10.916334     4    49
    54  H     -8.650378   21.664273   12.400431     6    50
    55  H    -10.213963   21.404208   11.478852     6    50
    56  N    -11.238331   21.799858   13.811774     1    51    57    60
    57  CA   -12.025806   21.805826   14.996330     2    56    58    61    62
    58  C    -11.104457   22.039731   16.217948     3    57    59    63
    59  O     -9.903769   22.334774   16.159908     5    58
    60  HN   -11.246315   22.750125   13.292427     4    56
    61  H    -12.965836   22.418792   14.908652     6    57
    62  H    -12.577949   20.840108   15.184111     6    57
    63  N    -11.702284   21.992608   17.427028     1    58    64    67
    64  CA   -11.000306   22.328108   18.653206     2    63    65    68    69
    65  C    -11.823111   22.814575   19.830480     3    64    66    70
    66  O    -11.432643   22.536035   20.952753     5    65
    67  HN   -12.693785   21.824996   17.520452     4    63
    68  H    -10.338077   21.409633   18.986918     6    64
    69  H    -10.298106   23.149712   18.382046     6    64
    70  N    -12.954985   23.504298   19.622912     1    65    71    74
    71  CA   -14.009100   23.840109   20.534557     2    70    72    75    76
    72  C    -15.450977   23.592524   20.026817     3    71    73    77
    73  O    -15.570796   22.780649   19.118824     5    72
    74  HN   -13.010843   23.782996   18.647236     4    70
    75  H    -13.886765   23.184680   21.428610     6    71
    76  H    -13.914493   24.880133   20.856746     6    71
    77  N    -16.456373   24.295048   20.544748     1    72    78    81
    78  CA   -17.823633   24.187897   20.121051     2    77    79    82    83
    79  C    -18.535394   25.521187   20.332929     3    78    80    84
    80  O    -17.886029   26.538119   20.105987     5    79
    81  HN   -16.204779   24.930660   21.321869     4    77
    82  H    -17.844157   24.096863   18.952276     6    78
    83  H    -18.374456   23.356887   20.543803     6    78
    84  N    -19.878106   25.478630   20.663877     1    79    85    88
    85  CA   -20.762573   26.630516   20.737618     2    84    86    89    90
    86  C    -20.557905   27.344265   22.025173     3    85    87    91
    87  O    -19.745182   26.971442   22.893512     5    86
    88  HN   -20.329687   24.591836   20.920558     4    84
    89  H    -20.606388   27.318243   19.870997     6    85
    90  H    -21.858912   26.241160   20.746327     6    85
    91  N    -21.308045   28.401024   22.208424   230    86    92    93
    92  C    -21.345653   29.250676   23.371172   232    91    94    95    96
    93  HN   -21.937065   28.669726   21.450540   231    91
    94  H    -20.544970   30.004632   23.470285   233    92
    95  H    -21.393726   28.642351   24.340032   233    92
    96  H    -22.274716   29.829403   23.441065   233    92
96 12_Glycine
     1  C     12.179295    9.986176  -22.288999   224     2     4     5     6
     2  C     12.047710    9.825054  -20.821679   226     1     3     7
     3  O     12.601384    8.889919  -20.168738   227     2
     4  H     11.989222   11.029389  -22.720449   225     1
     5  H     11.366673    9.255658  -22.686881   225     1
     6  H     13.200818    9.726295  -22.562065   225     1
     7  N     11.280667   10.742779  -20.254433     1     2     8    11
     8  CA    10.924848   10.821854  -18.827716     2     7     9    12    13
     9  C     11.734198   11.898700  -18.059408     3     8    10    14
    10  O     12.834004   12.381024  -18.464550     5     9
    11  HN    10.807801   11.488507  -20.820294     4     7
    12  H      9.847494   11.067006  -18.745565     6     8
    13  H     10.997301    9.767041  -18.361226     6     8
    14  N     11.154656   12.314261  -16.883283     1     9    15    18
    15  CA    11.833730   13.253865  -16.046667     2    14    16    19    20
    16  C     11.358198   14.627880  -16.244861     3    15    17    21
    17  O     11.068132   15.089748  -17.328453     5    16
    18  HN    10.195636   11.970245  -16.603799     4    14
    19  H     11.654378   12.899208  -15.031983     6    15
    20  H     12.957650   13.230057  -16.180057     6    15
    21  N     11.020370   15.336436  -15.114837     1    16    22    25
    22  CA    10.361950   16.637061  -14.992998     2    21    23    26    27
    23  C     11.461002   17.764168  -14.697293     3    22    24    28
    24  O     12.514886   17.833582  -15.313515     5    23
    25  HN    11.521648   15.136181  -14.230015     4    21
    26  H      9.832968   16.839470  -15.955553     6    22
    27  H      9.591812   16.679580  -14.221899     6    22
    28  N     11.151547   18.589981  -13.690692     1    23    29    32
    29  CA    11.989081   19.568356  -13.089453     2    28    30    33    34
    30  C     11.208872   20.846954  -13.112051     3    29    31    35
    31  O     10.840465   21.326334  -14.181943     5    30
    32  HN    10.233626   18.628299  -13.366375     4    28
    33  H     12.263178   19.378643  -12.045623     6    29
    34  H     12.985956   19.642541  -13.580238     6    29
    35  N     10.824172   21.303087  -11.877990     1    30    36    39
    36  CA    10.163900   22.541983  -11.595595     2    35    37    40    41
    37  C      8.850638   22.503987  -10.692640     3    36    38    42
    38  O      8.245492   23.522101  -10.309625     5    37
    39  HN    11.081576   20.893717  -10.971793     4    35
    40  H     10.833182   23.297263  -11.187723     6    36
    41  H      9.845575   22.970792  -12.541623     6    36
    42  N      8.360621   21.214227  -10.495922     1    37    43    46
    43  CA     7.089473   20.932035   -9.986234     2    42    44    47    48
    44  C      6.852977   19.487647   -9.678483     3    43    45    49
    45  O      7.497767   18.884506   -8.817486     5    44
    46  HN     8.917150   20.346193  -10.742133     4    42
    47  H      6.860317   21.414500   -9.072154     6    43
    48  H      6.366455   21.304678  -10.704673     6    43
    49  N      5.777490   18.909681  -10.261886     1    44    50    53
    50  CA     5.146365   17.650689   -9.775323     2    49    51    54    55
    51  C      3.781854   17.406658  -10.403831     3    50    52    56
    52  O      3.469064   17.899063  -11.485341     5    51
    53  HN     5.214702   19.453953  -11.023979     4    49
    54  H      5.829713   16.755352   -9.960368     6    50
    55  H      4.982735   17.751097   -8.644335     6    50
    56  N      2.953093   16.592605   -9.698644     1    51    57    60
    57  CA     1.552775   16.296433  -10.127436     2    56    58    61    62
    58  C      0.388221   16.455417   -9.148684     3    57    59    63
    59  O     -0.748628   16.012342   -9.483481     5    58
    60  HN     3.308525   16.055483   -8.908343     4    56
    61  H      1.289224   16.995762  -10.978152     6    57
    62  H      1.540346   15.330447  -10.594363     6    57
    63  N      0.716118   17.012618   -7.956692     1    58    64    67
    64  CA    -0.223207   17.239648   -6.849273     2    63    65    68    69
    65  C     -0.131676   16.227316   -5.667650     3    64    66    70
    66  O      0.487356   15.128148   -5.879440     5    65
    67  HN     1.680213   17.326380   -7.817786     4    63
    68  H     -0.130257   18.315459   -6.475742     6    64
    69  H     -1.220984   17.193977   -7.256493     6    64
    70  N     -0.918646   16.584194   -4.614309     1    65    71    74
    71  CA    -1.000264   15.879810   -3.346146     2    70    72    75    76
    72  C     -2.473162   15.708334   -2.969627     3    71    73    77
    73  O     -3.358473   16.172362   -3.674730     5    72
    74  HN    -1.176132   17.580175   -4.539003     4    70
    75  H     -0.261188   15.017327   -3.195050     6    71
    76  H     -0.745669   16.689941   -2.586034     6    71
    77  N     -2.811820   15.024704   -1.844224     1    72    78    81
    78  CA    -4.067487   14.866462   -1.231385     2    77    79    82    83
    79  C     -3.893237   14.020922    0.067181     3    78    80    84
    80  O     -3.308479   12.910816    0.014055     5    79
    81  HN    -2.047816   14.377050   -1.488856     4    77
    82  H     -4.534769   15.809591   -0.983395     6    78
    83  H     -4.723518   14.337312   -1.895680     6    78
    84  N     -4.337531   14.479364    1.277780     1    79    85    88
    85  CA    -4.297658   13.716957    2.539067     2    84    86    89    90
    86  C     -5.416397   12.789013    2.870034     3    85    87    91
    87  O     -6.388511   12.636876    2.116670     5    86
    88  HN    -4.859216   15.371209    1.252096     4    84
    89  H     -3.250580   13.253651    2.697638     6    85
    90  H     -4.312655   14.401216    3.399186     6    85
    91  N     -5.475060   12.275431    4.189971   230    86    92    93
    92  C     -6.434092   11.408226    4.806701   232    91    94    95    96
    93  HN    -4.650043   12.448465    4.783834   231    91
    94  H     -6.880350   11.840812    5.698023   233    92
    95  H     -5.987123   10.456008    5.033490   233    92
    96  H     -7.292645   11.268743    4.094454   233    92
96 12_Glycine
     1  C     15.300536  -14.218968   13.896071   224     2     4     5     6
     2  C     15.733882  -12.997912   13.025202   226     1     3     7
     3  O     16.785686  -12.387395   13.200959   227     2
     4  H     14.477485  -13.945892   14.644210   225     1
     5  H     16.066949  -14.558975   14.576895   225     1
     6  H     14.983038  -15.090274   13.253856   225     1
     7  N     14.851941  -12.528719   12.133476     1     2     8    11
     8  CA    14.995809  -11.397368   11.231024     2     7     9    12    13
     9  C     13.637933  -10.719163   11.164802     3     8    10    14
    10  O     12.858381  -10.694144   12.082484     5     9
    11  HN    14.002408  -13.049938   11.988120     4     7
    12  H     15.749817  -10.728390   11.625272     6     8
    13  H     15.391896  -11.832739   10.297486     6     8
    14  N     13.475422   -9.955357   10.043974     1     9    15    18
    15  CA    12.234130   -9.241260    9.734302     2    14    16    19    20
    16  C     11.599643   -9.706000    8.382867     3    15    17    21
    17  O     12.035532  -10.567126    7.700195     5    16
    18  HN    14.109046   -9.777519    9.285630     4    14
    19  H     11.436709   -9.254667   10.443603     6    15
    20  H     12.524691   -8.211167    9.502083     6    15
    21  N     10.498695   -8.999622    8.041400     1    16    22    25
    22  CA     9.738219   -9.155765    6.868625     2    21    23    26    27
    23  C      9.995685   -8.024881    5.893001     3    22    24    28
    24  O     10.734064   -7.075695    6.162279     5    23
    25  HN    10.207895   -8.214380    8.642543     4    21
    26  H      9.884788  -10.185266    6.424832     6    22
    27  H      8.635942   -9.108403    7.223743     6    22
    28  N      9.434121   -8.147537    4.696496     1    23    29    32
    29  CA     9.522811   -7.200406    3.659744     2    28    30    33    34
    30  C      8.321298   -6.785965    2.841535     3    29    31    35
    31  O      8.471294   -5.925118    2.012524     5    30
    32  HN     8.858613   -9.002834    4.567539     4    28
    33  H     10.109062   -6.309504    4.049888     6    29
    34  H     10.278445   -7.617486    2.865759     6    29
    35  N      7.126016   -7.321140    3.151979     1    30    36    39
    36  CA     5.791454   -7.010651    2.571728     2    35    37    40    41
    37  C      5.606306   -7.605484    1.197828     3    36    38    42
    38  O      6.503492   -8.136165    0.548847     5    37
    39  HN     7.001372   -8.053743    3.845740     4    35
    40  H      5.056834   -7.436716    3.281426     6    36
    41  H      5.588543   -5.931421    2.518349     6    36
    42  N      4.324203   -7.471499    0.681805     1    37    43    46
    43  CA     3.779689   -7.982884   -0.595980     2    42    44    47    48
    44  C      2.576303   -7.101002   -1.156462     3    43    45    49
    45  O      1.549136   -7.596521   -1.608451     5    44
    46  HN     3.596878   -6.983922    1.253275     4    42
    47  H      4.556811   -7.944458   -1.289798     6    43
    48  H      3.520594   -9.060690   -0.422631     6    43
    49  N      2.622112   -5.721503   -0.916433     1    44    50    53
    50  CA     1.515314   -4.723188   -1.241643     2    49    51    54    55
    51  C      1.110622   -4.544261   -2.746419     3    50    52    56
    52  O      2.022569   -4.456297   -3.681137     5    51
    53  HN     3.564330   -5.320096   -0.782839     4    49
    54  H      0.598373   -4.917656   -0.617659     6    50
    55  H      1.832775   -3.689986   -0.900736     6    50
    56  N     -0.190801   -4.384957   -3.032430     1    51    57    60
    57  CA    -0.851493   -4.283489   -4.377500     2    56    58    61    62
    58  C     -1.011409   -5.618458   -5.051770     3    57    59    63
    59  O     -1.336561   -6.591709   -4.392262     5    58
    60  HN    -0.839419   -4.634840   -2.313850     4    56
    61  H     -1.761034   -3.713264   -4.138934     6    57
    62  H     -0.171527   -3.718104   -5.039630     6    57
    63  N     -0.874771   -5.686421   -6.396191     1    58    64    67
    64  CA    -1.438498   -6.717391   -7.182515     2    63    65    68    69
    65  C     -2.152593   -6.139483   -8.412423     3    64    66    70
    66  O     -2.786844   -5.073704   -8.289034     5    65
    67  HN    -0.864310   -4.741747   -6.840574     4    63
    68  H     -0.621626   -7.390182   -7.488067     6    64
    69  H     -2.172620   -7.256462   -6.454727     6    64
    70  N     -2.130642   -6.962577   -9.446416     1    65    71    74
    71  CA    -2.635910   -6.631139  -10.709486     2    70    72    75    76
    72  C     -1.566862   -6.205276  -11.682651     3    71    73    77
    73  O     -0.512846   -5.680451  -11.272829     5    72
    74  HN    -1.593984   -7.841695   -9.509017     4    70
    75  H     -3.080525   -7.571697  -11.155651     6    71
    76  H     -3.418978   -5.811363  -10.557974     6    71
    77  N     -1.841909   -6.500615  -12.937731     1    72    78    81
    78  CA    -0.980032   -6.334722  -14.102081     2    77    79    82    83
    79  C      0.216275   -7.207845  -14.308229     3    78    80    84
    80  O      0.433550   -8.225633  -13.602050     5    79
    81  HN    -2.812476   -6.803697  -13.223094     4    77
    82  H     -1.575315   -6.178454  -15.071138     6    78
    83  H     -0.562779   -5.314835  -13.959129     6    78
    84  N      1.144159   -6.741136  -15.264539     1    79    85    88
    85  CA     2.351412   -7.466453  -15.552391     2    84    86    89    90
    86  C      3.042429   -6.953106  -16.820324     3    85    87    91
    87  O      2.366159   -6.497122  -17.756525     5    86
    88  HN     0.804136   -5.971023  -15.865682     4    84
    89  H      3.106486   -7.346753  -14.788640     6    85
    90  H      2.147267   -8.598695  -15.542725     6    85
    91  N      4.408926   -7.086846  -16.826242   230    86    92    93
    92  C      5.152014   -6.376190  -17.821808   232    91    94    95    96
    93  HN     4.953124   -7.417728  -16.000598   231    91
    94  H      4.868239   -5.327484  -17.894735   233    92
    95  H      5.065121   -6.852936  -18.827397   233    92
    96  H      6.174095   -6.437953  -17.692536   233    92
96 12_Glycine
     1  C     -6.385512   16.898742   10.749166   224     2     4     5     6
     2  C     -6.165892   16.957050    9.232203   226     1     3     7
     3  O     -6.838118   16.222988    8.443876   227     2
     4  H     -5.577073   16.369900   11.388865   225     1
     5  H     -7.383874   16.420680   10.888622   225     1
     6  H     -6.565270   17.955827   11.067161   225     1
     7  N     -5.232639   17.827586    8.782347     1     2     8    11
     8  CA    -4.907818   18.224288    7.427778     2     7     9    12    13
     9  C     -4.024250   19.450012    7.451297     3     8    10    14
    10  O     -3.997961   20.205184    8.484964     5     9
    11  HN    -4.613923   18.262618    9.465185     4     7
    12  H     -4.507646   17.411659    6.756766     6     8
    13  H     -5.854860   18.640710    7.023662     6     8
    14  N     -3.431850   19.697315    6.257990     1     9    15    18
    15  CA    -2.719028   20.918509    5.883866     2    14    16    19    20
    16  C     -3.019549   21.215651    4.445462     3    15    17    21
    17  O     -4.122591   20.794482    4.008773     5    16
    18  HN    -3.368588   18.927151    5.591307     4    14
    19  H     -3.037521   21.787269    6.454072     6    15
    20  H     -1.656015   20.729350    6.084109     6    15
    21  N     -2.195659   22.103473    3.789486     1    16    22    25
    22  CA    -2.302944   22.403064    2.349867     2    21    23    26    27
    23  C     -1.819894   21.231127    1.455060     3    22    24    28
    24  O     -1.786869   20.064371    1.828314     5    23
    25  HN    -1.330295   22.428759    4.195027     4    21
    26  H     -3.295111   22.703620    2.034220     6    22
    27  H     -1.618823   23.243596    2.151875     6    22
    28  N     -1.470212   21.671592    0.201904     1    23    29    32
    29  CA    -0.955567   20.917033   -0.957077     2    28    30    33    34
    30  C      0.428088   20.347417   -0.857963     3    29    31    35
    31  O      1.257057   20.743388    0.019307     5    30
    32  HN    -1.571877   22.745568    0.056235     4    28
    33  H     -1.715443   20.142766   -1.262725     6    29
    34  H     -0.878299   21.580590   -1.782255     6    29
    35  N      0.715424   19.406213   -1.834762     1    30    36    39
    36  CA     1.952548   18.590770   -1.906563     2    35    37    40    41
    37  C      1.660708   17.110110   -1.553549     3    36    38    42
    38  O      1.585426   16.808319   -0.367480     5    37
    39  HN     0.051255   19.202658   -2.592550     4    35
    40  H      2.453566   18.774257   -2.829480     6    36
    41  H      2.736471   18.943761   -1.183364     6    36
    42  N      1.591174   16.255202   -2.638082     1    37    43    46
    43  CA     1.279544   14.765585   -2.561398     2    42    44    47    48
    44  C      2.417547   13.851866   -2.397084     3    43    45    49
    45  O      3.494808   14.264704   -1.975620     5    44
    46  HN     1.799716   16.646337   -3.617499     4    42
    47  H      0.505949   14.689859   -1.816541     6    43
    48  H      0.731121   14.484351   -3.496141     6    43
    49  N      2.253846   12.519457   -2.615697     1    44    50    53
    50  CA     3.284946   11.575022   -2.288105     2    49    51    54    55
    51  C      2.710832   10.155320   -2.164228     3    50    52    56
    52  O      1.529223    9.970137   -1.958910     5    51
    53  HN     1.380353   12.310364   -3.224846     4    49
    54  H      4.148707   11.480462   -3.051016     6    50
    55  H      3.673094   11.825050   -1.347580     6    50
    56  N      3.615749    9.138422   -2.358122     1    51    57    60
    57  CA     3.220277    7.740730   -2.515825     2    56    58    61    62
    58  C      2.078299    7.398668   -3.536123     3    57    59    63
    59  O      1.707913    8.183192   -4.426619     5    58
    60  HN     4.652079    9.202195   -2.399806     4    56
    61  H      4.174611    7.237636   -2.872046     6    57
    62  H      3.020816    7.304310   -1.507726     6    57
    63  N      1.356359    6.356336   -3.133304     1    58    64    67
    64  CA     0.221288    5.884533   -3.792787     2    63    65    68    69
    65  C     -0.219131    4.379244   -3.824410     3    64    66    70
    66  O     -1.398538    4.078312   -4.015694     5    65
    67  HN     1.593899    6.043100   -2.205916     4    63
    68  H     -0.573757    6.412035   -3.246819     6    64
    69  H      0.150111    6.336098   -4.854274     6    64
    70  N      0.666409    3.499166   -3.251045     1    65    71    74
    71  CA     0.338687    2.155753   -2.950057     2    70    72    75    76
    72  C     -0.407433    2.052413   -1.651876     3    71    73    77
    73  O     -0.302120    2.906945   -0.783993     5    72
    74  HN     1.654834    3.713156   -3.125021     4    70
    75  H     -0.150396    1.614960   -3.773316     6    71
    76  H      1.308518    1.641872   -2.812671     6    71
    77  N     -1.139152    0.928500   -1.528390     1    72    78    81
    78  CA    -2.247732    0.700058   -0.685493     2    77    79    82    83
    79  C     -3.513557    0.761718   -1.530293     3    78    80    84
    80  O     -3.559171    1.304844   -2.598674     5    79
    81  HN    -1.066066    0.195553   -2.250015     4    77
    82  H     -2.202346   -0.367295   -0.316042     6    78
    83  H     -2.298408    1.530983    0.110355     6    78
    84  N     -4.600139    0.149230   -0.952242     1    79    85    88
    85  CA    -5.922117    0.056153   -1.416328     2    84    86    89    90
    86  C     -6.426341   -1.379653   -1.635200     3    85    87    91
    87  O     -5.726669   -2.381293   -1.815989     5    86
    88  HN    -4.541266   -0.379453   -0.024453     4    84
    89  H     -6.669208    0.638847   -0.856424     6    85
    90  H     -5.938401    0.430329   -2.448576     6    85
    91  N     -7.827237   -1.455426   -1.629112   230    86    92    93
    92  C     -8.630002   -2.793655   -1.685469   232    91    94    95    96
    93  HN    -8.405462   -0.546607   -1.498820   231    91
    94  H     -9.015644   -3.030042   -2.737647   233    92
    95  H     -9.519673   -2.763302   -0.998357   233    92
    96  H     -7.935326   -3.541878   -1.272651   233    92
96 12_Glycine
     1  C      9.954187    7.543739  -20.856150   224     2     4     5     6
     2  C     10.120752    8.680696  -19.818532   226     1     3     7
     3  O     10.634402    8.433419  -18.735134   227     2
     4  H      8.947787    7.092093  -20.812024   225     1
     5  H     10.682639    6.732758  -20.713537   225     1
     6  H     10.193503    7.928256  -21.896024   225     1
     7  N      9.533062    9.921429  -20.084966     1     2     8    11
     8  CA     9.461740   11.050098  -19.185081     2     7     9    12    13
     9  C     10.823761   11.579726  -18.793336     3     8    10    14
    10  O     11.825223   11.238899  -19.338956     5     9
    11  HN     9.035759   10.101631  -20.966969     4     7
    12  H      8.898561   11.952753  -19.661082     6     8
    13  H      8.862203   10.931314  -18.210687     6     8
    14  N     10.747503   12.679006  -18.026394     1     9    15    18
    15  CA    11.770967   13.593145  -17.726624     2    14    16    19    20
    16  C     11.367815   15.007979  -17.810118     3    15    17    21
    17  O     10.364524   15.299739  -18.495580     5    16
    18  HN     9.818439   13.017442  -17.632602     4    14
    19  H     12.073742   13.414271  -16.647617     6    15
    20  H     12.727756   13.342185  -18.273274     6    15
    21  N     11.987826   15.936745  -17.033508     1    16    22    25
    22  CA    11.666426   17.353728  -17.043613     2    21    23    26    27
    23  C     12.845965   18.230630  -16.789677     3    22    24    28
    24  O     14.009031   17.812809  -16.853112     5    23
    25  HN    12.783174   15.614828  -16.515249     4    21
    26  H     11.194337   17.661868  -18.008541     6    22
    27  H     10.924126   17.557499  -16.276644     6    22
    28  N     12.662403   19.562247  -16.726427     1    23    29    32
    29  CA    13.736567   20.521647  -16.487324     2    28    30    33    34
    30  C     13.400747   21.670251  -15.573476     3    29    31    35
    31  O     13.597855   22.862051  -15.973883     5    30
    32  HN    11.752593   19.927027  -16.452538     4    28
    33  H     14.648981   20.117988  -16.111011     6    29
    34  H     14.036240   20.730022  -17.516121     6    29
    35  N     12.467409   21.480525  -14.588822     1    30    36    39
    36  CA    11.874074   22.503089  -13.717216     2    35    37    40    41
    37  C     11.254322   22.230321  -12.323926     3    36    38    42
    38  O     10.282332   22.885329  -11.920277     5    37
    39  HN    12.160254   20.551574  -14.248987     4    35
    40  H     12.651203   23.311806  -13.606343     6    36
    41  H     11.180207   23.030955  -14.362933     6    36
    42  N     11.834170   21.254609  -11.617563     1    37    43    46
    43  CA    11.468968   20.741399  -10.309810     2    42    44    47    48
    44  C     10.709721   19.451897  -10.373508     3    43    45    49
    45  O     11.033557   18.576018  -11.218857     5    44
    46  HN    12.641263   20.827257  -11.999832     4    42
    47  H     12.331127   20.579916   -9.672379     6    43
    48  H     10.866420   21.542555   -9.798603     6    43
    49  N      9.918309   19.172564   -9.233990     1    44    50    53
    50  CA     9.264108   17.909326   -8.891350     2    49    51    54    55
    51  C      7.922237   17.714148   -9.607536     3    50    52    56
    52  O      7.841547   17.998213  -10.799955     5    51
    53  HN     9.589832   19.991973   -8.660352     4    49
    54  H      9.962972   17.050467   -9.052783     6    50
    55  H      9.036835   17.922502   -7.760925     6    50
    56  N      6.913182   17.181542   -8.880421     1    51    57    60
    57  CA     5.583045   16.891420   -9.373772     2    56    58    61    62
    58  C      4.543745   16.397595   -8.398000     3    57    59    63
    59  O      3.560047   15.799835   -8.917359     5    58
    60  HN     7.114704   16.816222   -7.949934     4    56
    61  H      5.069165   17.720323   -9.954497     6    57
    62  H      5.761941   16.019014  -10.114516     6    57
    63  N      4.633383   16.553837   -7.073782     1    58    64    67
    64  CA     3.749040   16.090352   -6.078756     2    63    65    68    69
    65  C      4.516606   15.673370   -4.780701     3    64    66    70
    66  O      5.742008   15.672993   -4.723076     5    65
    67  HN     5.382895   17.131461   -6.617006     4    63
    68  H      3.020867   16.862101   -5.894919     6    64
    69  H      3.146712   15.186856   -6.419944     6    64
    70  N      3.786673   15.608746   -3.638611     1    65    71    74
    71  CA     4.256703   15.258094   -2.327872     2    70    72    75    76
    72  C      3.527638   16.040738   -1.287081     3    71    73    77
    73  O      4.059659   17.012112   -0.669866     5    72
    74  HN     2.786347   15.937989   -3.561485     4    70
    75  H      4.074557   14.132966   -2.156256     6    71
    76  H      5.353624   15.424296   -2.113793     6    71
    77  N      2.225552   15.799014   -1.080739     1    72    78    81
    78  CA     1.323474   16.560658   -0.235862     2    77    79    82    83
    79  C     -0.067067   15.953813   -0.065554     3    78    80    84
    80  O     -0.161268   14.749121    0.219228     5    79
    81  HN     1.882633   14.967533   -1.574380     4    77
    82  H      1.771687   16.618574    0.756430     6    78
    83  H      1.293598   17.635472   -0.562365     6    78
    84  N     -1.182794   16.684985   -0.306940     1    79    85    88
    85  CA    -2.596167   16.245040   -0.213915     2    84    86    89    90
    86  C     -3.379891   16.580438   -1.494310     3    85    87    91
    87  O     -2.869756   16.793670   -2.625927     5    86
    88  HN    -1.080725   17.684777   -0.508182     4    84
    89  H     -2.690885   15.083317   -0.197973     6    85
    90  H     -3.058042   16.697552    0.758332     6    85
    91  N     -4.712241   16.847686   -1.299627   230    86    92    93
    92  C     -5.741686   17.071991   -2.303480   232    91    94    95    96
    93  HN    -4.953694   16.721453   -0.298944   231    91
    94  H     -6.735423   17.400756   -1.853963   233    92
    95  H     -5.995885   16.131840   -2.985688   233    92
    96  H     -5.374019   17.909212   -2.894618   233    92
96 12_Glycine
     1  C     19.787711   -9.207155   15.459750   224     2     4     5     6
     2  C     18.875070   -9.670128   14.321227   226     1     3     7
     3  O     18.872531  -10.899080   14.000860   227     2
     4  H     20.274400  -10.138284   15.784860   225     1
     5  H     19.241615   -8.742348   16.323912   225     1
     6  H     20.501155   -8.491702   15.023627   225     1
     7  N     17.980580   -8.798988   13.836848     1     2     8    11
     8  CA    16.993076   -9.224905   12.884783     2     7     9    12    13
     9  C     16.667522   -8.072213   11.843274     3     8    10    14
    10  O     16.996547   -6.867005   11.973614     5     9
    11  HN    17.778135   -7.899456   14.354500     4     7
    12  H     17.441836  -10.100702   12.261081     6     8
    13  H     16.002976   -9.518779   13.372803     6     8
    14  N     15.972221   -8.464806   10.737503     1     9    15    18
    15  CA    15.449099   -7.652852    9.693332     2    14    16    19    20
    16  C     14.255967   -8.172604    8.971082     3    15    17    21
    17  O     13.298023   -8.671390    9.545166     5    16
    18  HN    15.650955   -9.404725   10.790730     4    14
    19  H     15.081664   -6.653314   10.175527     6    15
    20  H     16.246725   -7.547391    8.948531     6    15
    21  N     14.220090   -8.000034    7.600691     1    16    22    25
    22  CA    13.165360   -8.409808    6.718833     2    21    23    26    27
    23  C     12.068745   -7.370256    6.830509     3    22    24    28
    24  O     12.157215   -6.363287    7.562096     5    23
    25  HN    14.870355   -7.416784    7.176047     4    21
    26  H     13.623587   -8.243927    5.701221     6    22
    27  H     12.867645   -9.478630    7.037329     6    22
    28  N     11.113096   -7.444304    5.953622     1    23    29    32
    29  CA    10.062644   -6.390080    5.702695     2    28    30    33    34
    30  C      9.504480   -6.526943    4.227549     3    29    31    35
    31  O      8.371691   -6.040931    3.948965     5    30
    32  HN    10.918619   -8.388870    5.585309     4    28
    33  H      9.264017   -6.509585    6.463082     6    29
    34  H     10.517689   -5.385168    5.923027     6    29
    35  N     10.258828   -7.105460    3.291533     1    30    36    39
    36  CA     9.886213   -7.654775    1.980438     2    35    37    40    41
    37  C      9.924203   -6.676680    0.858556     3    36    38    42
    38  O     10.437312   -5.571334    0.975853     5    37
    39  HN    11.318250   -7.204276    3.530057     4    35
    40  H     10.584844   -8.516045    1.656498     6    36
    41  H      8.870216   -8.143349    2.064179     6    36
    42  N      9.413227   -7.170824   -0.280857     1    37    43    46
    43  CA     9.650873   -6.527251   -1.560718     2    42    44    47    48
    44  C      8.276950   -5.887042   -1.951434     3    43    45    49
    45  O      7.264541   -6.129403   -1.275568     5    44
    46  HN     8.909713   -8.091627   -0.321727     4    42
    47  H     10.443305   -5.783006   -1.588133     6    43
    48  H      9.862101   -7.320768   -2.290599     6    43
    49  N      8.247263   -4.923253   -2.876413     1    44    50    53
    50  CA     7.118961   -4.012701   -3.180277     2    49    51    54    55
    51  C      7.636803   -2.925252   -4.063170     3    50    52    56
    52  O      8.788626   -2.437807   -3.918989     5    51
    53  HN     9.106167   -4.773562   -3.496707     4    49
    54  H      6.260661   -4.631166   -3.598148     6    50
    55  H      6.723863   -3.433941   -2.340244     6    50
    56  N      6.714463   -2.353399   -4.881628     1    51    57    60
    57  CA     6.764704   -1.131294   -5.615748     2    56    58    61    62
    58  C      5.758395   -0.858670   -6.706540     3    57    59    63
    59  O      5.397274    0.336285   -6.839340     5    58
    60  HN     5.819008   -2.803957   -4.939443     4    56
    61  H      6.761298   -0.285666   -4.911275     6    57
    62  H      7.748982   -1.041719   -6.168659     6    57
    63  N      5.496182   -1.843646   -7.564494     1    58    64    67
    64  CA     4.551018   -1.905421   -8.663618     2    63    65    68    69
    65  C      3.696760   -3.141538   -8.628640     3    64    66    70
    66  O      3.367555   -3.619042   -7.512407     5    65
    67  HN     6.042619   -2.766205   -7.614937     4    63
    68  H      3.949912   -0.945384   -8.724417     6    64
    69  H      5.077649   -1.983724   -9.620328     6    64
    70  N      3.066855   -3.502765   -9.770723     1    65    71    74
    71  CA     2.153186   -4.602749   -9.975680     2    70    72    75    76
    72  C      1.447113   -4.411801  -11.317992     3    71    73    77
    73  O      0.305514   -3.863807  -11.432204     5    72
    74  HN     3.281565   -2.945275  -10.587242     4    70
    75  H      2.660471   -5.583021  -10.064890     6    71
    76  H      1.489448   -4.764526   -9.061758     6    71
    77  N      2.037323   -5.023909  -12.379850     1    72    78    81
    78  CA     1.530785   -5.101797  -13.719981     2    77    79    82    83
    79  C      2.139595   -4.203407  -14.752751     3    78    80    84
    80  O      3.164196   -3.545581  -14.474522     5    79
    81  HN     3.069873   -5.160159  -12.457145     4    77
    82  H      1.702386   -6.194348  -13.992892     6    78
    83  H      0.376212   -5.034350  -13.557241     6    78
    84  N      1.558271   -4.195970  -15.972157     1    79    85    88
    85  CA     1.899759   -3.368224  -17.092422     2    84    86    89    90
    86  C      2.434561   -4.226072  -18.220750     3    85    87    91
    87  O      3.350104   -5.069872  -17.971528     5    86
    88  HN     0.726558   -4.798706  -16.150722     4    84
    89  H      0.983415   -2.935666  -17.548493     6    85
    90  H      2.672390   -2.635175  -16.807480     6    85
    91  N      2.001373   -3.915546  -19.470447   230    86    92    93
    92  C      2.495371   -4.423784  -20.695547   232    91    94    95    96
    93  HN     1.245420   -3.207483  -19.636755   231    91
    94  H      1.994290   -4.051213  -21.608384   233    92
    95  H      2.411569   -5.515686  -20.745259   233    92
    96  H      3.629701   -4.369392  -20.800749   233    92
96 12_Glycine
     1  C      0.575214   -3.091468  -16.213536   224     2     4     5     6
     2  C      0.333117   -1.844385  -15.384790   226     1     3     7
     3  O     -0.576237   -1.053868  -15.764819   227     2
     4  H     -0.212616   -3.909739  -16.029267   225     1
     5  H      1.544301   -3.596189  -16.195080   225     1
     6  H      0.432578   -2.741501  -17.325463   225     1
     7  N      0.899850   -1.882803  -14.140836     1     2     8    11
     8  CA     0.681748   -0.970315  -13.016644     2     7     9    12    13
     9  C      2.004384   -0.232993  -12.437845     3     8    10    14
    10  O      2.957781    0.033451  -13.201988     5     9
    11  HN     1.609472   -2.639990  -13.885195     4     7
    12  H     -0.084417   -0.149848  -13.316907     6     8
    13  H      0.042127   -1.485589  -12.214433     6     8
    14  N      1.857898    0.100843  -11.127074     1     9    15    18
    15  CA     2.849940    0.767392  -10.323802     2    14    16    19    20
    16  C      2.174279    1.798393   -9.356924     3    15    17    21
    17  O      2.876057    2.390391   -8.496389     5    16
    18  HN     1.006848   -0.205676  -10.634206     4    14
    19  H      3.395150    0.062628   -9.759538     6    15
    20  H      3.654702    1.244069  -11.032028     6    15
    21  N      0.886409    2.134786   -9.420401     1    16    22    25
    22  CA     0.203499    2.959649   -8.502591     2    21    23    26    27
    23  C     -0.845779    2.143345   -7.768256     3    22    24    28
    24  O     -0.797967    0.930558   -7.642915     5    23
    25  HN     0.188666    1.622952   -9.976873     4    21
    26  H      0.928130    3.344716   -7.770525     6    22
    27  H     -0.191020    3.919188   -9.043117     6    22
    28  N     -1.798106    2.928943   -7.265117     1    23    29    32
    29  CA    -2.943144    2.345787   -6.520218     2    28    30    33    34
    30  C     -4.009398    2.054392   -7.464441     3    29    31    35
    31  O     -3.836785    1.562251   -8.584404     5    30
    32  HN    -1.870667    3.953005   -7.555830     4    28
    33  H     -2.704034    1.404255   -5.984104     6    29
    34  H     -3.196749    2.996173   -5.665235     6    29
    35  N     -5.260522    2.284822   -7.056852     1    30    36    39
    36  CA    -6.409850    2.285262   -7.913078     2    35    37    40    41
    37  C     -7.113502    3.654928   -7.998388     3    36    38    42
    38  O     -6.544720    4.650176   -7.517169     5    37
    39  HN    -5.471885    2.424105   -6.044453     4    35
    40  H     -6.206984    1.912694   -8.941087     6    36
    41  H     -7.114892    1.517221   -7.488487     6    36
    42  N     -8.316384    3.674458   -8.528953     1    37    43    46
    43  CA    -9.205607    4.698040   -8.945382     2    42    44    47    48
    44  C    -10.404213    4.819354   -8.020081     3    43    45    49
    45  O    -10.269216    4.601625   -6.779008     5    44
    46  HN    -8.821724    2.810212   -8.228757     4    42
    47  H     -8.645383    5.650909   -8.918072     6    43
    48  H     -9.485177    4.540502  -10.027730     6    43
    49  N    -11.500964    5.359841   -8.565302     1    44    50    53
    50  CA   -12.798034    5.551497   -7.951486     2    49    51    54    55
    51  C    -13.722647    4.314800   -8.151931     3    50    52    56
    52  O    -13.467685    3.317240   -8.848106     5    51
    53  HN   -11.368080    5.742451   -9.595991     4    49
    54  H    -12.707530    5.811702   -6.835182     6    50
    55  H    -13.252233    6.412162   -8.500376     6    50
    56  N    -14.918244    4.404464   -7.504021     1    51    57    60
    57  CA   -15.971531    3.447344   -7.646826     2    56    58    61    62
    58  C    -16.891354    3.254926   -6.407058     3    57    59    63
    59  O    -18.084549    2.956466   -6.646269     5    58
    60  HN   -15.058455    5.189986   -6.835583     4    56
    61  H    -16.591440    3.604315   -8.516391     6    57
    62  H    -15.519516    2.419864   -7.691746     6    57
    63  N    -16.292628    3.457599   -5.190975     1    58    64    67
    64  CA   -16.816729    3.482260   -3.883498     2    63    65    68    69
    65  C    -16.103582    2.569184   -2.908650     3    64    66    70
    66  O    -16.071667    1.332625   -3.081692     5    65
    67  HN   -15.257704    3.482017   -5.179002     4    63
    68  H    -16.779598    4.506554   -3.486884     6    64
    69  H    -17.901584    3.171334   -3.866867     6    64
    70  N    -15.388944    3.188574   -1.904992     1    65    71    74
    71  CA   -14.641480    2.349379   -0.901639     2    70    72    75    76
    72  C    -14.660486    2.827700    0.532760     3    71    73    77
    73  O    -13.691635    2.735301    1.256416     5    72
    74  HN   -15.557669    4.186489   -1.628032     4    70
    75  H    -15.049736    1.324998   -0.850283     6    71
    76  H    -13.545070    2.201140   -1.262974     6    71
    77  N    -15.782216    3.473462    0.952381     1    72    78    81
    78  CA   -15.938966    4.095505    2.298499     2    77    79    82    83
    79  C    -16.332863    5.613690    2.143544     3    78    80    84
    80  O    -16.757902    6.065266    1.039157     5    79
    81  HN   -16.647922    3.603460    0.364640     4    77
    82  H    -16.745691    3.564836    2.891954     6    78
    83  H    -15.003836    4.034082    2.930340     6    78
    84  N    -16.408439    6.388164    3.235829     1    79    85    88
    85  CA   -16.880280    7.750223    3.392874     2    84    86    89    90
    86  C    -15.864870    8.894533    3.322434     3    85    87    91
    87  O    -14.713943    8.754822    2.848743     5    86
    88  HN   -15.948572    6.111447    4.108393     4    84
    89  H    -17.613972    8.072677    2.630884     6    85
    90  H    -17.394491    7.792507    4.387152     6    85
    91  N    -16.262758   10.021440    3.977739   230    86    92    93
    92  C    -15.557023   11.262433    4.144123   232    91    94    95    96
    93  HN   -17.208946   10.077896    4.411764   231    91
    94  H    -14.587332   11.124201    4.667187   233    92
    95  H    -16.099960   11.879290    4.920928   233    92
    96  H    -15.308227   11.834654    3.254477   233    92
96 12_Glycine
     1  C     15.925635    2.016531   10.678412   224     2     4     5     6
     2  C     14.564697    2.167349   11.246592   226     1     3     7
     3  O     13.795560    1.203727   11.229615   227     2
     4  H     15.963794    1.937776    9.561439   225     1
     5  H     16.509704    1.125773   11.076238   225     1
     6  H     16.538682    2.947436   10.776196   225     1
     7  N     14.164762    3.330055   11.751103     1     2     8    11
     8  CA    12.853447    3.504370   12.236250     2     7     9    12    13
     9  C     12.153714    4.836488   12.186193     3     8    10    14
    10  O     10.984784    4.888489   12.429335     5     9
    11  HN    14.780423    4.148785   11.735105     4     7
    12  H     12.225548    2.870374   11.579817     6     8
    13  H     12.852647    3.141884   13.292282     6     8
    14  N     12.750902    5.958424   11.678703     1     9    15    18
    15  CA    12.170151    7.373803   11.597998     2    14    16    19    20
    16  C     12.699520    8.237704   12.757099     3    15    17    21
    17  O     13.129968    7.711400   13.824594     5    16
    18  HN    13.792280    5.972587   11.518793     4    14
    19  H     12.376610    7.833980   10.607890     6    15
    20  H     11.036081    7.337831   11.752511     6    15
    21  N     12.531853    9.600698   12.594049     1    16    22    25
    22  CA    12.861044   10.494127   13.684467     2    21    23    26    27
    23  C     14.302791   10.474368   14.183143     3    22    24    28
    24  O     15.163619    9.864047   13.545345     5    23
    25  HN    12.103719   10.034030   11.776250     4    21
    26  H     12.524989   11.469086   13.408900     6    22
    27  H     12.194290   10.122859   14.487339     6    22
    28  N     14.649129   11.438400   15.075996     1    23    29    32
    29  CA    16.000999   11.548377   15.546773     2    28    30    33    34
    30  C     16.992303   12.346695   14.709567     3    29    31    35
    31  O     18.206052   12.238956   15.027790     5    30
    32  HN    14.026620   12.235760   15.369795     4    28
    33  H     15.943955   11.888104   16.563852     6    29
    34  H     16.435902   10.562519   15.630323     6    29
    35  N     16.533837   13.107068   13.686047     1    30    36    39
    36  CA    17.217303   14.015905   12.796064     2    35    37    40    41
    37  C     17.990649   13.223218   11.596109     3    36    38    42
    38  O     18.961296   12.457258   11.874290     5    37
    39  HN    15.551808   12.935585   13.333078     4    35
    40  H     16.429696   14.795812   12.363191     6    36
    41  H     17.939642   14.658825   13.347412     6    36
    42  N     17.599611   13.614208   10.351768     1    37    43    46
    43  CA    18.090536   12.973683    9.047727     2    42    44    47    48
    44  C     19.305895   13.785857    8.413256     3    43    45    49
    45  O     19.944785   14.506050    9.183497     5    44
    46  HN    17.107618   14.536031   10.374459     4    42
    47  H     18.450243   11.961860    9.344047     6    43
    48  H     17.244692   12.963077    8.319326     6    43
    49  N     19.669565   13.618477    7.072299     1    44    50    53
    50  CA    20.872281   13.941010    6.414078     2    49    51    54    55
    51  C     20.784232   14.492736    5.025378     3    50    52    56
    52  O     19.767179   14.714928    4.452300     5    51
    53  HN    19.204775   12.952585    6.464088     4    49
    54  H     21.521609   14.715186    6.932487     6    50
    55  H     21.526781   13.050923    6.456404     6    50
    56  N     21.980408   14.929544    4.506110     1    51    57    60
    57  CA    22.229719   15.632687    3.276798     2    56    58    61    62
    58  C     21.907801   17.109386    3.426584     3    57    59    63
    59  O     21.183488   17.572438    4.327903     5    58
    60  HN    22.842853   14.691711    4.954182     4    56
    61  H     23.220289   15.552655    2.824411     6    57
    62  H     21.532598   15.183842    2.573301     6    57
    63  N     22.583386   17.811891    2.537707     1    58    64    67
    64  CA    22.625164   19.347825    2.315810     2    63    65    68    69
    65  C     22.015199   19.664287    1.000288     3    64    66    70
    66  O     21.592729   18.792280    0.235122     5    65
    67  HN    23.076811   17.296480    1.856706     4    63
    68  H     22.078738   19.940250    3.097108     6    64
    69  H     23.645239   19.636290    2.392899     6    64
    70  N     22.091449   21.008209    0.690226     1    65    71    74
    71  CA    21.589078   21.709779   -0.428388     2    70    72    75    76
    72  C     22.487196   21.369994   -1.639099     3    71    73    77
    73  O     23.389081   20.457798   -1.645736     5    72
    74  HN    22.727396   21.554191    1.159217     4    70
    75  H     20.530557   21.438509   -0.653155     6    71
    76  H     21.606450   22.779068   -0.267568     6    71
    77  N     22.069223   22.035859   -2.772388     1    72    78    81
    78  CA    22.684529   21.842690   -4.039830     2    77    79    82    83
    79  C     23.303935   23.094537   -4.641045     3    78    80    84
    80  O     23.499465   24.111758   -3.950035     5    79
    81  HN    21.330524   22.686254   -2.744563     4    77
    82  H     23.468029   21.082358   -4.010767     6    78
    83  H     21.960259   21.438667   -4.763592     6    78
    84  N     23.762567   22.892059   -5.898166     1    79    85    88
    85  CA    24.462401   23.844876   -6.738136     2    84    86    89    90
    86  C     23.466610   24.486753   -7.644344     3    85    87    91
    87  O     22.273431   24.533011   -7.192727     5    86
    88  HN    23.624572   22.038275   -6.333794     4    84
    89  H     24.932107   24.591237   -6.071319     6    85
    90  H     25.219601   23.263798   -7.378221     6    85
    91  N     23.963278   25.066796   -8.680930   230    86    92    93
    92  C     23.055181   25.701908   -9.673545   232    91    94    95    96
    93  HN    24.950696   25.204046   -8.936549   231    91
    94  H     23.780972   26.124243  -10.438330   233    92
    95  H     22.562745   26.621263   -9.275124   233    92
    96  H     22.353983   25.004328  -10.126393   233    92
96 12_Glycine
     1  C      1.020423   -0.089535   12.661340   224     2     4     5     6
     2  C      2.321319    0.050216   11.890760   226     1     3     7
     3  O      3.026394   -0.933471   11.737563   227     2
     4  H      0.567034    0.893508   12.874551   225     1
     5  H      1.220063   -0.590428   13.643036   225     1
     6  H      0.270173   -0.684798   12.064096   225     1
     7  N      2.601456    1.304662   11.351925     1     2     8    11
     8  CA     3.798147    1.635420   10.573233     2     7     9    12    13
     9  C      4.336245    3.041084   10.743976     3     8    10    14
    10  O      4.946538    3.551115    9.790768     5     9
    11  HN     1.991815    2.110728   11.479126     4     7
    12  H      4.619617    0.930012   10.749628     6     8
    13  H      3.497562    1.508598    9.513272     6     8
    14  N      4.415262    3.658586   11.939464     1     9    15    18
    15  CA     4.780740    5.045691   12.189038     2    14    16    19    20
    16  C      4.022664    5.738737   13.324782     3    15    17    21
    17  O      2.841793    5.568831   13.547726     5    16
    18  HN     4.201915    3.194944   12.820615     4    14
    19  H      5.855663    5.164110   12.480251     6    15
    20  H      4.574112    5.649436   11.277281     6    15
    21  N      4.713346    6.600763   14.116893     1    16    22    25
    22  CA     4.155726    7.309044   15.353254     2    21    23    26    27
    23  C      3.291131    8.591054   14.999516     3    22    24    28
    24  O      2.341653    8.976085   15.812527     5    23
    25  HN     5.678032    6.901509   13.850909     4    21
    26  H      3.365304    6.690752   15.804063     6    22
    27  H      4.935163    7.526469   16.090060     6    22
    28  N      3.497784    9.184303   13.886345     1    23    29    32
    29  CA     2.754051   10.345999   13.376590     2    28    30    33    34
    30  C      3.712802   11.141253   12.491566     3    29    31    35
    31  O      4.851042   11.270862   12.952232     5    30
    32  HN     4.267118    8.911155   13.296815     4    28
    33  H      1.783345    9.983767   12.899349     6    29
    34  H      2.539925   10.948312   14.250053     6    29
    35  N      3.184592   11.648868   11.364569     1    30    36    39
    36  CA     3.934207   12.442390   10.374628     2    35    37    40    41
    37  C      5.201395   11.903691    9.649150     3    36    38    42
    38  O      5.632945   10.793330    9.904503     5    37
    39  HN     2.168593   11.464723   11.144564     4    35
    40  H      3.163705   12.842362    9.628451     6    36
    41  H      4.262302   13.412735   10.756055     6    36
    42  N      5.691923   12.745261    8.707134     1    37    43    46
    43  CA     6.802382   12.417732    7.806080     2    42    44    47    48
    44  C      6.989251   13.420665    6.688491     3    43    45    49
    45  O      5.947988   13.775814    6.082323     5    44
    46  HN     5.289242   13.686457    8.575331     4    42
    47  H      7.712600   12.290427    8.411510     6    43
    48  H      6.689026   11.463991    7.367217     6    43
    49  N      8.172586   13.707612    6.276003     1    44    50    53
    50  CA     8.580590   14.674269    5.207225     2    49    51    54    55
    51  C      8.778320   16.067270    5.753102     3    50    52    56
    52  O      8.368441   16.395349    6.879030     5    51
    53  HN     9.070312   13.424479    6.789286     4    49
    54  H      9.393040   14.249390    4.713996     6    50
    55  H      7.721968   14.823285    4.410278     6    50
    56  N      9.506433   16.887146    4.989645     1    51    57    60
    57  CA    10.126029   18.132414    5.415278     2    56    58    61    62
    58  C     11.156184   18.765039    4.458691     3    57    59    63
    59  O     11.266364   19.956947    4.234149     5    58
    60  HN     9.799222   16.597702    4.011883     4    56
    61  H      9.400002   18.862793    5.692775     6    57
    62  H     10.714868   17.958789    6.292377     6    57
    63  N     11.956049   17.849344    3.799722     1    58    64    67
    64  CA    12.878880   18.221336    2.716706     2    63    65    68    69
    65  C     12.120417   18.665197    1.479248     3    64    66    70
    66  O     10.864447   18.886951    1.423488     5    65
    67  HN    12.166628   16.964029    4.175147     4    63
    68  H     13.668019   18.964727    2.977077     6    64
    69  H     13.617111   17.371617    2.471633     6    64
    70  N     12.868391   18.703072    0.399911     1    65    71    74
    71  CA    12.547699   18.931764   -1.006035     2    70    72    75    76
    72  C     13.773386   19.692831   -1.621476     3    71    73    77
    73  O     14.778461   19.111282   -1.891190     5    72
    74  HN    13.824231   18.872849    0.556552     4    70
    75  H     12.323694   18.021582   -1.696137     6    71
    76  H     11.551130   19.478947   -1.071370     6    71
    77  N     13.573079   20.945516   -2.020097     1    72    78    81
    78  CA    14.536785   21.822445   -2.721669     2    77    79    82    83
    79  C     15.831425   22.270817   -2.041376     3    78    80    84
    80  O     15.889730   22.316997   -0.826562     5    79
    81  HN    12.702630   21.417633   -1.785664     4    77
    82  H     14.857202   21.443777   -3.733418     6    78
    83  H     13.913113   22.738441   -2.969810     6    78
    84  N     16.691206   22.967833   -2.846707     1    79    85    88
    85  CA    18.007113   23.419452   -2.399867     2    84    86    89    90
    86  C     18.148297   24.674572   -1.528928     3    85    87    91
    87  O     17.567209   25.737825   -1.850859     5    86
    88  HN    16.489774   23.122624   -3.801572     4    84
    89  H     18.442532   22.509600   -1.857281     6    85
    90  H     18.735497   23.570057   -3.252758     6    85
    91  N     19.048051   24.557540   -0.449374   230    86    92    93
    92  C     19.444523   25.621715    0.477582   232    91    94    95    96
    93  HN    19.379805   23.625194   -0.211361   231    91
    94  H     20.526772   25.928410    0.267823   233    92
    95  H     19.320358   25.407381    1.585967   233    92
    96  H     18.761305   26.440715    0.329200   233    92
96 12_Glycine
     1  C     16.370467    0.908974    9.862630   224     2     4     5     6
     2  C     17.815020    0.359316   10.148083   226     1     3     7
     3  O     18.064408   -0.170559   11.223367   227     2
     4  H     15.511323    0.173945   10.129210   225     1
     5  H     16.298096    1.230251    8.821243   225     1
     6  H     16.190164    1.852502   10.408531   225     1
     7  N     18.703472    0.487761    9.145199     1     2     8    11
     8  CA    20.132345    0.027944    9.193121     2     7     9    12    13
     9  C     20.816623    0.385252    7.880166     3     8    10    14
    10  O     20.470716   -0.132299    6.801364     5     9
    11  HN    18.420985    0.936123    8.207272     4     7
    12  H     20.768159    0.273352   10.134072     6     8
    13  H     20.067175   -1.023739    9.310689     6     8
    14  N     21.578291    1.495130    7.850128     1     9    15    18
    15  CA    22.195093    2.010550    6.680102     2    14    16    19    20
    16  C     22.530377    3.544123    6.689585     3    15    17    21
    17  O     23.227919    3.971991    5.771087     5    16
    18  HN    21.809822    2.012222    8.669934     4    14
    19  H     23.105579    1.374250    6.421467     6    15
    20  H     21.451974    1.791949    5.880965     6    15
    21  N     22.236578    4.280745    7.820227     1    16    22    25
    22  CA    22.422478    5.723872    7.983909     2    21    23    26    27
    23  C     22.697859    6.099278    9.430726     3    22    24    28
    24  O     22.824835    5.229247   10.330283     5    23
    25  HN    21.508547    3.930102    8.468618     4    21
    26  H     23.388721    6.034438    7.475407     6    22
    27  H     21.562326    6.277185    7.594247     6    22
    28  N     22.744686    7.465176    9.646466     1    23    29    32
    29  CA    22.743590    8.076998   10.968047     2    28    30    33    34
    30  C     22.085422    9.398313   10.962281     3    29    31    35
    31  O     21.007105    9.512865   10.429929     5    30
    32  HN    22.606818    8.141119    8.847554     4    28
    33  H     22.155549    7.573278   11.775909     6    29
    34  H     23.748990    8.061192   11.405120     6    29
    35  N     22.732793   10.463457   11.501260     1    30    36    39
    36  CA    22.212357   11.810704   11.611574     2    35    37    40    41
    37  C     22.954370   12.700344   10.533505     3    36    38    42
    38  O     23.738345   12.225592    9.716299     5    37
    39  HN    23.594942   10.235999   12.069554     4    35
    40  H     21.100538   11.924960   11.339810     6    36
    41  H     22.382596   12.233067   12.646192     6    36
    42  N     22.576544   13.995222   10.585547     1    37    43    46
    43  CA    22.940832   15.136779    9.776451     2    42    44    47    48
    44  C     21.778078   16.081298    9.455295     3    43    45    49
    45  O     22.059821   17.183971    9.026657     5    44
    46  HN    21.948811   14.186289   11.401215     4    42
    47  H     23.714470   15.731954   10.266278     6    43
    48  H     23.336968   14.662921    8.840108     6    43
    49  N     20.521597   15.727668    9.734374     1    44    50    53
    50  CA    19.345052   16.471671    9.507880     2    49    51    54    55
    51  C     18.732467   16.320919    8.170190     3    50    52    56
    52  O     19.201892   15.639472    7.234478     5    51
    53  HN    20.251398   14.770959   10.099500     4    49
    54  H     18.571212   16.256871   10.218388     6    50
    55  H     19.580791   17.490522    9.779545     6    50
    56  N     17.516543   16.942889    8.026119     1    51    57    60
    57  CA    16.869445   17.148969    6.754775     2    56    58    61    62
    58  C     17.492692   18.239519    5.822097     3    57    59    63
    59  O     18.457929   18.931197    6.292482     5    58
    60  HN    17.117221   17.484402    8.816466     4    56
    61  H     16.750223   16.309272    6.114997     6    57
    62  H     15.813683   17.551331    6.947744     6    57
    63  N     17.043685   18.316534    4.536058     1    58    64    67
    64  CA    17.635121   19.173580    3.496774     2    63    65    68    69
    65  C     17.087207   20.598180    3.477671     3    64    66    70
    66  O     16.172093   20.887356    4.246849     5    65
    67  HN    16.220761   17.748525    4.251529     4    63
    68  H     18.765363   19.051724    3.506721     6    64
    69  H     17.423060   18.771094    2.548565     6    64
    70  N     17.756446   21.528903    2.644791     1    65    71    74
    71  CA    17.488696   22.970913    2.363456     2    70    72    75    76
    72  C     16.427488   23.073752    1.255501     3    71    73    77
    73  O     15.613172   22.172489    1.027157     5    72
    74  HN    18.616035   21.222303    2.157648     4    70
    75  H     17.232121   23.617430    3.221998     6    71
    76  H     18.391821   23.469630    1.863377     6    71
    77  N     16.460068   24.237735    0.592292     1    72    78    81
    78  CA    15.407958   24.565135   -0.523750     2    77    79    82    83
    79  C     16.054684   24.920582   -1.870392     3    78    80    84
    80  O     17.165785   24.466015   -2.257124     5    79
    81  HN    17.131518   25.027261    0.838917     4    77
    82  H     14.754885   23.729466   -0.642299     6    78
    83  H     14.868755   25.501754   -0.167567     6    78
    84  N     15.270865   25.714171   -2.606359     1    79    85    88
    85  CA    15.675516   26.351850   -3.863058     2    84    86    89    90
    86  C     15.427297   27.914789   -3.717959     3    85    87    91
    87  O     15.205264   28.411012   -2.606759     5    86
    88  HN    14.290650   25.869937   -2.336580     4    84
    89  H     16.714145   26.088993   -4.146935     6    85
    90  H     15.060749   25.976463   -4.761891     6    85
    91  N     15.268694   28.653874   -4.830915   230    86    92    93
    92  C     15.056954   30.095620   -4.855104   232    91    94    95    96
    93  HN    15.128185   28.243197   -5.779677   231    91
    94  H     14.656309   30.397991   -5.839026   233    92
    95  H     16.068455   30.617337   -4.764686   233    92
    96  H     14.419811   30.640345   -4.048576   233    92
96 12_Glycine
     1  C     12.770901    0.703755   10.430841   224     2     4     5     6
     2  C     13.755113   -0.277924    9.792363   226     1     3     7
     3  O     13.728079   -1.507614   10.022762   227     2
     4  H     11.903366    0.849418    9.687894   225     1
     5  H     13.205988    1.750208   10.584235   225     1
     6  H     12.413579    0.308152   11.433123   225     1
     7  N     14.627798    0.199291    8.879154     1     2     8    11
     8  CA    15.743222   -0.458971    8.143612     2     7     9    12    13
     9  C     17.091993    0.085818    8.390609     3     8    10    14
    10  O     18.033486   -0.778117    8.508422     5     9
    11  HN    14.801076    1.194949    8.794341     4     7
    12  H     15.715731   -1.548893    8.476451     6     8
    13  H     15.611016   -0.557089    7.037827     6     8
    14  N     17.328409    1.436118    8.645519     1     9    15    18
    15  CA    18.670748    1.931408    8.981535     2    14    16    19    20
    16  C     18.958612    3.446523    8.799867     3    15    17    21
    17  O     20.136157    3.867383    8.636530     5    16
    18  HN    16.561520    2.145863    8.420700     4    14
    19  H     18.895988    1.690956   10.038259     6    15
    20  H     19.421916    1.406966    8.346085     6    15
    21  N     17.850532    4.241172    8.810091     1    16    22    25
    22  CA    17.890346    5.649678    8.853483     2    21    23    26    27
    23  C     17.912700    6.248881   10.217044     3    22    24    28
    24  O     17.678767    5.634698   11.252224     5    23
    25  HN    16.960329    3.908300    9.293470     4    21
    26  H     18.733027    5.976528    8.265302     6    22
    27  H     16.978615    5.986729    8.268985     6    22
    28  N     18.078396    7.609894   10.230033     1    23    29    32
    29  CA    17.910046    8.505105   11.457805     2    28    30    33    34
    30  C     17.409936    9.920012   11.041456     3    29    31    35
    31  O     16.606311   10.053143   10.099125     5    30
    32  HN    18.134485    8.139550    9.369901     4    28
    33  H     17.126748    8.080843   12.132677     6    29
    34  H     18.891656    8.542073   11.992170     6    29
    35  N     17.877010   10.886142   11.863275     1    30    36    39
    36  CA    17.336554   12.231642   11.831105     2    35    37    40    41
    37  C     18.339307   13.117689   12.542794     3    36    38    42
    38  O     19.525238   13.110468   12.262566     5    37
    39  HN    18.432437   10.751492   12.750225     4    35
    40  H     17.108041   12.570614   10.863526     6    36
    41  H     16.371484   12.192330   12.476333     6    36
    42  N     17.829340   14.111249   13.276719     1    37    43    46
    43  CA    18.661167   15.055106   13.953597     2    42    44    47    48
    44  C     18.911310   16.446154   13.248936     3    43    45    49
    45  O     19.687799   17.219661   13.768998     5    44
    46  HN    16.795917   14.327719   13.299113     4    42
    47  H     18.189532   15.245113   15.008241     6    43
    48  H     19.648266   14.613977   14.134124     6    43
    49  N     18.035791   16.830814   12.232329     1    44    50    53
    50  CA    17.833619   18.164073   11.673461     2    49    51    54    55
    51  C     18.411234   18.267947   10.277798     3    50    52    56
    52  O     19.375375   17.540235    9.918822     5    51
    53  HN    17.523083   16.108397   11.708228     4    49
    54  H     16.716455   18.349797   11.707930     6    50
    55  H     18.251995   19.045194   12.253502     6    50
    56  N     17.884734   19.161395    9.445144     1    51    57    60
    57  CA    18.114930   19.520322    8.013123     2    56    58    61    62
    58  C     19.045328   20.729909    7.852072     3    57    59    63
    59  O     19.718480   21.219012    8.765370     5    58
    60  HN    17.194232   19.788173    9.894918     4    56
    61  H     18.597526   18.639730    7.543033     6    57
    62  H     17.093385   19.603669    7.561975     6    57
    63  N     19.104677   21.247205    6.595911     1    58    64    67
    64  CA    19.896328   22.390673    6.196662     2    63    65    68    69
    65  C     19.321017   23.240531    5.090251     3    64    66    70
    66  O     18.142392   23.593356    5.072173     5    65
    67  HN    18.425203   20.908044    5.921595     4    63
    68  H     20.000489   23.087304    7.078939     6    64
    69  H     20.844865   21.956071    5.902253     6    64
    70  N     20.164906   23.577458    4.089415     1    65    71    74
    71  CA    19.992612   24.443588    2.881730     2    70    72    75    76
    72  C     19.746652   23.757516    1.531643     3    71    73    77
    73  O     19.208538   22.632313    1.528531     5    72
    74  HN    21.094436   23.139345    4.085952     4    70
    75  H     19.142956   25.209183    3.013833     6    71
    76  H     20.969556   25.016830    2.743199     6    71
    77  N     19.833946   24.486034    0.407030     1    72    78    81
    78  CA    19.376187   24.235721   -0.937344     2    77    79    82    83
    79  C     18.024815   24.658345   -1.450059     3    78    80    84
    80  O     17.589664   24.441608   -2.587611     5    79
    81  HN    20.340749   25.373516    0.452304     4    77
    82  H     20.135491   24.652323   -1.643404     6    78
    83  H     19.506128   23.213400   -1.204160     6    78
    84  N     17.273723   25.229888   -0.487928     1    79    85    88
    85  CA    15.891883   25.644041   -0.586462     2    84    86    89    90
    86  C     15.576586   26.485836   -1.801750     3    85    87    91
    87  O     16.437683   27.256633   -2.279942     5    86
    88  HN    17.568446   25.216070    0.504089     4    84
    89  H     15.315138   24.630253   -0.688754     6    85
    90  H     15.484837   26.219895    0.252099     6    85
    91  N     14.288910   26.612486   -2.149655   230    86    92    93
    92  C     13.890955   27.529136   -3.257841   232    91    94    95    96
    93  HN    13.530300   26.133702   -1.671812   231    91
    94  H     13.297529   28.416907   -2.833246   233    92
    95  H     13.182620   26.993086   -3.979197   233    92
    96  H     14.730525   27.978427   -3.780069   233    92
96 12_Glycine
     1  C     14.683762    5.623078    0.341251   224     2     4     5     6
     2  C     15.993647    5.025098    0.804017   226     1     3     7
     3  O     16.960524    5.743347    1.033974   227     2
     4  H     13.918258    5.350894    1.040013   225     1
     5  H     14.488625    5.233513   -0.643045   225     1
     6  H     14.804670    6.694764    0.233267   225     1
     7  N     15.985771    3.652966    0.964349     1     2     8    11
     8  CA    16.943221    2.807135    1.552343     2     7     9    12    13
     9  C     16.179778    1.660414    2.277305     3     8    10    14
    10  O     16.215627    0.502257    1.762313     5     9
    11  HN    15.085049    3.181429    0.664780     4     7
    12  H     17.667978    2.547826    0.740902     6     8
    13  H     17.603122    3.356514    2.300388     6     8
    14  N     15.389219    1.891556    3.355804     1     9    15    18
    15  CA    14.618904    0.880351    4.026729     2    14    16    19    20
    16  C     15.287822    0.038864    5.111576     3    15    17    21
    17  O     16.314476    0.392642    5.652206     5    16
    18  HN    15.174989    2.822015    3.759000     4    14
    19  H     13.690522    1.368081    4.345831     6    15
    20  H     14.143146    0.196607    3.312623     6    15
    21  N     14.486638   -0.967516    5.587152     1    16    22    25
    22  CA    14.870142   -2.093450    6.372444     2    21    23    26    27
    23  C     14.882827   -3.363011    5.537151     3    22    24    28
    24  O     13.945110   -4.136646    5.600594     5    23
    25  HN    13.620523   -1.018008    5.080773     4    21
    26  H     15.814831   -1.855063    6.870919     6    22
    27  H     14.148018   -2.198877    7.166434     6    22
    28  N     15.862228   -3.504098    4.554180     1    23    29    32
    29  CA    15.951285   -4.591255    3.625899     2    28    30    33    34
    30  C     15.835926   -4.363042    2.151859     3    29    31    35
    31  O     15.992281   -5.224015    1.271053     5    30
    32  HN    16.609709   -2.794588    4.517462     4    28
    33  H     16.969848   -5.046871    3.793339     6    29
    34  H     15.267079   -5.374274    4.012184     6    29
    35  N     15.695726   -3.061264    1.756347     1    30    36    39
    36  CA    15.480767   -2.627413    0.387610     2    35    37    40    41
    37  C     14.393884   -1.500629    0.228941     3    36    38    42
    38  O     13.407885   -1.544531    1.049616     5    37
    39  HN    15.602023   -2.337303    2.427916     4    35
    40  H     16.404473   -2.310203   -0.128292     6    36
    41  H     15.047684   -3.472349   -0.152667     6    36
    42  N     14.518895   -0.714088   -0.868927     1    37    43    46
    43  CA    13.458989    0.193603   -1.255122     2    42    44    47    48
    44  C     13.993261    1.541217   -1.797644     3    43    45    49
    45  O     13.189533    2.439441   -2.000079     5    44
    46  HN    15.312871   -0.852728   -1.535535     4    42
    47  H     12.702925   -0.307578   -1.894893     6    43
    48  H     12.839117    0.405096   -0.430704     6    43
    49  N     15.328298    1.727155   -1.998771     1    44    50    53
    50  CA    15.954973    2.960589   -2.547554     2    49    51    54    55
    51  C     16.881980    2.358623   -3.655658     3    50    52    56
    52  O     16.964038    1.175613   -3.962702     5    51
    53  HN    15.994878    1.034907   -1.722937     4    49
    54  H     15.154067    3.587440   -3.023525     6    50
    55  H     16.527947    3.539198   -1.834797     6    50
    56  N     17.710508    3.323886   -4.214473     1    51    57    60
    57  CA    18.886660    3.073659   -5.064231     2    56    58    61    62
    58  C     18.694179    3.498670   -6.464449     3    57    59    63
    59  O     18.767398    4.661865   -6.800415     5    58
    60  HN    17.397397    4.248985   -4.093592     4    56
    61  H     19.849846    3.572020   -4.735726     6    57
    62  H     19.154183    1.988528   -4.998350     6    57
    63  N     18.448675    2.515015   -7.353295     1    58    64    67
    64  CA    18.368984    2.649990   -8.827197     2    63    65    68    69
    65  C     19.655718    3.274725   -9.404359     3    64    66    70
    66  O     20.715388    3.195428   -8.771279     5    65
    67  HN    18.122288    1.594587   -7.072290     4    63
    68  H     18.283425    1.624623   -9.318729     6    64
    69  H     17.479265    3.325040   -9.095955     6    64
    70  N     19.547128    3.789717  -10.655905     1    65    71    74
    71  CA    20.563375    4.329583  -11.513244     2    70    72    75    76
    72  C     20.658777    3.674055  -12.876751     3    71    73    77
    73  O     20.760496    2.460884  -12.994166     5    72
    74  HN    18.661891    3.715385  -11.179321     4    70
    75  H     20.409884    5.478375  -11.661974     6    71
    76  H     21.530215    4.240583  -10.999605     6    71
    77  N     20.871572    4.558082  -13.878881     1    72    78    81
    78  CA    21.119405    4.204527  -15.265886     2    77    79    82    83
    79  C     19.880063    4.191176  -16.142884     3    78    80    84
    80  O     18.739095    3.875172  -15.703708     5    79
    81  HN    20.894511    5.552400  -13.719343     4    77
    82  H     21.877194    4.884141  -15.715344     6    78
    83  H     21.679738    3.217895  -15.367434     6    78
    84  N     20.000525    4.764819  -17.458320     1    79    85    88
    85  CA    18.909199    5.112632  -18.267884     2    84    86    89    90
    86  C     19.055328    4.905627  -19.766545     3    85    87    91
    87  O     19.633657    3.938721  -20.228395     5    86
    88  HN    20.887534    5.019326  -17.873807     4    84
    89  H     17.922773    4.688382  -17.845693     6    85
    90  H     18.820195    6.205142  -18.116077     6    85
    91  N     18.300016    5.615129  -20.637186   230    86    92    93
    92  C     17.970030    5.452685  -22.037058   232    91    94    95    96
    93  HN    17.718409    6.374957  -20.268277   231    91
    94  H     16.853821    5.258437  -22.155410   233    92
    95  H     18.371422    4.593670  -22.578121   233    92
    96  H     18.235417    6.397506  -22.560541   233    92
96 12_Glycine
     1  C     11.509023   -2.666362   11.671355   224     2     4     5     6
     2  C     12.365841   -1.428823   11.414193   226     1     3     7
     3  O     13.034635   -0.981593   12.338377   227     2
     4  H     10.751647   -2.517096   12.479603   225     1
     5  H     12.153577   -3.470823   11.959512   225     1
     6  H     10.996439   -3.031890   10.808090   225     1
     7  N     12.429782   -1.075080   10.114308     1     2     8    11
     8  CA    13.152789    0.089163    9.676067     2     7     9    12    13
     9  C     12.486994    1.422161   10.058143     3     8    10    14
    10  O     11.360474    1.525445   10.521692     5     9
    11  HN    11.935832   -1.477952    9.350966     4     7
    12  H     14.146196    0.061745   10.131135     6     8
    13  H     13.327883   -0.012574    8.530106     6     8
    14  N     13.353893    2.469409    9.986847     1     9    15    18
    15  CA    13.094539    3.828092   10.340894     2    14    16    19    20
    16  C     14.065944    4.431723   11.281713     3    15    17    21
    17  O     14.725753    3.666318   11.957493     5    16
    18  HN    14.313854    2.298609    9.668483     4    14
    19  H     12.980549    4.540136    9.457605     6    15
    20  H     12.001734    3.856349   10.775744     6    15
    21  N     13.833078    5.765369   11.598770     1    16    22    25
    22  CA    14.424250    6.625555   12.582190     2    21    23    26    27
    23  C     15.593902    7.369639   11.911483     3    22    24    28
    24  O     16.361558    6.761224   11.066998     5    23
    25  HN    13.146769    6.302970   11.071145     4    21
    26  H     13.686208    7.371599   12.875928     6    22
    27  H     14.771861    5.941341   13.446246     6    22
    28  N     15.793389    8.663308   12.263279     1    23    29    32
    29  CA    16.987835    9.454540   11.810438     2    28    30    33    34
    30  C     16.577103   10.773099   11.230912     3    29    31    35
    31  O     15.615315   10.928797   10.522446     5    30
    32  HN    15.209027    9.274365   12.845469     4    28
    33  H     17.628248    9.648668   12.704178     6    29
    34  H     17.535402    8.921101   10.999402     6    29
    35  N     17.411665   11.805548   11.474671     1    30    36    39
    36  CA    17.158874   13.119414   10.997406     2    35    37    40    41
    37  C     17.894229   13.280229    9.609186     3    36    38    42
    38  O     18.735771   12.456690    9.191559     5    37
    39  HN    18.300052   11.710061   12.001578     4    35
    40  H     16.081662   13.298341   11.012619     6    36
    41  H     17.566588   13.849985   11.696089     6    36
    42  N     17.730933   14.406293    8.938928     1    37    43    46
    43  CA    18.242132   14.688391    7.634624     2    42    44    47    48
    44  C     19.712560   14.877422    7.605834     3    43    45    49
    45  O     20.492372   15.094740    8.526053     5    44
    46  HN    17.216045   15.113656    9.437479     4    42
    47  H     17.985481   13.855722    6.895205     6    43
    48  H     17.805927   15.631790    7.193444     6    43
    49  N     20.225412   14.963424    6.327049     1    44    50    53
    50  CA    21.612337   15.062037    5.950259     2    49    51    54    55
    51  C     21.943260   15.929985    4.779882     3    50    52    56
    52  O     22.934403   15.722640    4.133544     5    51
    53  HN    19.608628   14.811815    5.523557     4    49
    54  H     22.251418   15.500901    6.781987     6    50
    55  H     22.002365   14.078799    5.703165     6    50
    56  N     21.100961   16.935107    4.397789     1    51    57    60
    57  CA    21.317395   17.748498    3.206835     2    56    58    61    62
    58  C     20.201934   18.796446    3.135426     3    57    59    63
    59  O     19.755610   19.322158    4.167584     5    58
    60  HN    20.290866   17.181276    5.004929     4    56
    61  H     22.338724   18.169325    3.219628     6    57
    62  H     21.308514   17.027503    2.375827     6    57
    63  N     19.618233   19.047656    1.931719     1    58    64    67
    64  CA    18.510480   19.901591    1.739455     2    63    65    68    69
    65  C     18.858423   21.196477    0.956669     3    64    66    70
    66  O     18.030259   22.110811    0.718832     5    65
    67  HN    19.922133   18.464321    1.147634     4    63
    68  H     17.792196   19.279310    1.139963     6    64
    69  H     18.045365   20.084553    2.726656     6    64
    70  N     20.164208   21.247620    0.477754     1    65    71    74
    71  CA    20.664383   22.342078   -0.351248     2    70    72    75    76
    72  C     21.765322   21.834590   -1.287211     3    71    73    77
    73  O     21.579420   20.757964   -1.934942     5    72
    74  HN    20.897294   20.484514    0.594434     4    70
    75  H     19.964241   22.884134   -1.031235     6    71
    76  H     21.072576   23.101862    0.392232     6    71
    77  N     22.771242   22.690851   -1.541899     1    72    78    81
    78  CA    23.800961   22.509646   -2.600259     2    77    79    82    83
    79  C     24.819202   21.485717   -2.084573     3    78    80    84
    80  O     25.117949   21.292504   -0.899190     5    79
    81  HN    22.784455   23.553426   -1.009494     4    77
    82  H     23.291980   22.110696   -3.585528     6    78
    83  H     24.300325   23.498361   -2.718196     6    78
    84  N     25.585954   20.975393   -3.082320     1    79    85    88
    85  CA    26.618023   19.976517   -2.940568     2    84    86    89    90
    86  C     27.913300   20.115649   -3.756586     3    85    87    91
    87  O     28.701835   19.136831   -4.005881     5    86
    88  HN    25.345227   21.191274   -4.053179     4    84
    89  H     27.057192   19.892646   -1.875430     6    85
    90  H     26.257483   18.962565   -3.177370     6    85
    91  N     28.236886   21.368411   -4.158212   230    86    92    93
    92  C     29.379220   21.676007   -4.978693   232    91    94    95    96
    93  HN    27.914077   22.255345   -3.686054   231    91
    94  H     29.361003   22.655410   -5.454940   233    92
    95  H     29.489034   21.006547   -5.805703   233    92
    96  H     30.332388   21.793913   -4.327090   233    92
96 12_Glycine
     1  C      9.288986    3.032143    9.742327   224     2     4     5     6
     2  C      9.501951    2.813907    8.223208   226     1     3     7
     3  O     10.251827    3.608121    7.586834   227     2
     4  H     10.158390    3.494662   10.156237   225     1
     5  H      9.139491    2.040487   10.319717   225     1
     6  H      8.420316    3.723286    9.870273   225     1
     7  N      8.950941    1.682950    7.718076     1     2     8    11
     8  CA     8.844668    1.341904    6.264944     2     7     9    12    13
     9  C      7.463680    1.194300    5.796012     3     8    10    14
    10  O      6.519205    1.960593    6.130094     5     9
    11  HN     8.568144    0.900449    8.302545     4     7
    12  H      9.386600    2.066626    5.569536     6     8
    13  H      9.456598    0.322544    6.106158     6     8
    14  N      7.372899    0.216718    4.932389     1     9    15    18
    15  CA     6.140012    0.084028    4.165331     2    14    16    19    20
    16  C      6.271679    0.122217    2.615250     3    15    17    21
    17  O      7.077822    0.891408    2.123848     5    16
    18  HN     8.275321   -0.208884    4.557022     4    14
    19  H      5.614117   -0.767342    4.521310     6    15
    20  H      5.382599    0.905342    4.436737     6    15
    21  N      5.253845   -0.538065    1.952549     1    16    22    25
    22  CA     5.086033   -0.555090    0.552652     2    21    23    26    27
    23  C      3.878009    0.239281    0.127909     3    22    24    28
    24  O      2.779444   -0.032677    0.615854     5    23
    25  HN     4.512706   -1.038137    2.485371     4    21
    26  H      6.015938   -0.181831   -0.001898     6    22
    27  H      4.921945   -1.597511    0.285827     6    22
    28  N      3.986587    1.100703   -0.863692     1    23    29    32
    29  CA     2.938851    1.963265   -1.351077     2    28    30    33    34
    30  C      2.511078    1.666627   -2.740849     3    29    31    35
    31  O      2.731317    0.558744   -3.261839     5    30
    32  HN     4.675326    0.947049   -1.661748     4    28
    33  H      2.036190    1.808852   -0.657605     6    29
    34  H      3.227547    2.979939   -1.110862     6    29
    35  N      1.754800    2.588434   -3.378549     1    30    36    39
    36  CA     1.124411    2.404133   -4.649949     2    35    37    40    41
    37  C     -0.361368    2.818101   -4.625750     3    36    38    42
    38  O     -0.851918    3.562831   -3.767043     5    37
    39  HN     1.488583    3.437511   -2.811007     4    35
    40  H      1.550740    2.958541   -5.495421     6    36
    41  H      1.068626    1.352839   -4.850852     6    36
    42  N     -1.028605    2.364589   -5.685891     1    37    43    46
    43  CA    -2.459359    2.514758   -5.938001     2    42    44    47    48
    44  C     -2.862807    3.579348   -6.906044     3    43    45    49
    45  O     -2.168162    3.955917   -7.857176     5    44
    46  HN    -0.585385    1.836648   -6.432067     4    42
    47  H     -2.821569    1.591920   -6.351004     6    43
    48  H     -2.987257    2.552753   -5.030029     6    43
    49  N     -4.084371    4.084431   -6.644306     1    44    50    53
    50  CA    -4.716843    5.262854   -7.253309     2    49    51    54    55
    51  C     -3.728353    6.475348   -6.968769     3    50    52    56
    52  O     -3.363576    6.599824   -5.769323     5    51
    53  HN    -4.667186    3.579502   -5.940670     4    49
    54  H     -4.981320    5.025766   -8.322953     6    50
    55  H     -5.629824    5.441424   -6.704237     6    50
    56  N     -3.379207    7.248176   -8.025280     1    51    57    60
    57  CA    -2.621362    8.470515   -7.934820     2    56    58    61    62
    58  C     -3.491076    9.738032   -7.893281     3    57    59    63
    59  O     -4.672131    9.673687   -7.648598     5    58
    60  HN    -3.769247    7.137551   -8.969762     4    56
    61  H     -2.035131    8.518414   -7.008977     6    57
    62  H     -1.977481    8.567489   -8.849710     6    57
    63  N     -2.783883   10.910320   -8.065806     1    58    64    67
    64  CA    -3.518378   12.142240   -8.094363     2    63    65    68    69
    65  C     -3.448768   13.076680   -6.899703     3    64    66    70
    66  O     -4.025922   14.203688   -7.019737     5    65
    67  HN    -1.815282   11.002889   -8.102526     4    63
    68  H     -3.193452   12.641536   -9.036660     6    64
    69  H     -4.622154   11.832713   -8.274956     6    64
    70  N     -2.668390   12.747563   -5.865893     1    65    71    74
    71  CA    -2.391779   13.648775   -4.759392     2    70    72    75    76
    72  C     -0.996858   13.447966   -4.145794     3    71    73    77
    73  O     -0.679843   14.152118   -3.154529     5    72
    74  HN    -2.595096   11.744965   -5.587762     4    70
    75  H     -2.307195   14.680149   -5.065774     6    71
    76  H     -3.093045   13.443676   -3.917524     6    71
    77  N     -0.134256   12.564137   -4.670633     1    72    78    81
    78  CA     1.050966   12.154865   -4.091637     2    77    79    82    83
    79  C      2.190993   12.680313   -4.965008     3    78    80    84
    80  O      1.914335   13.170385   -6.071703     5    79
    81  HN    -0.338406   12.108934   -5.570322     4    77
    82  H      1.221528   12.580656   -3.103725     6    78
    83  H      1.109470   11.096093   -3.912298     6    78
    84  N      3.448973   12.391061   -4.466497     1    79    85    88
    85  CA     4.683274   12.635613   -5.278175     2    84    86    89    90
    86  C      5.681602   11.541695   -4.991462     3    85    87    91
    87  O      5.312673   10.455560   -4.574255     5    86
    88  HN     3.593585   12.035645   -3.482294     4    84
    89  H      4.539623   12.599839   -6.410410     6    85
    90  H      5.046190   13.665061   -4.996423     6    85
    91  N      6.980560   11.805802   -5.427396   230    86    92    93
    92  C      8.116986   10.919880   -5.301997   232    91    94    95    96
    93  HN     7.255304   12.831116   -5.645724   231    91
    94  H      8.106299    9.933314   -5.873514   233    92
    95  H      8.190317   10.554103   -4.261091   233    92
    96  H      9.085855   11.471722   -5.403237   233    92
96 12_Glycine
     1  C      2.643561    4.407737    0.750000   224     2     4     5     6
     2  C      1.417376    5.356763    1.047528   226     1     3     7
     3  O      1.493005    6.581136    0.832225   227     2
     4  H      2.255064    3.380422    0.837655   225     1
     5  H      3.472948    4.531621    1.471690   225     1
     6  H      2.929649    4.504963   -0.329326   225     1
     7  N      0.321624    4.782988    1.608347     1     2     8    11
     8  CA    -0.964253    5.400894    1.890723     2     7     9    12    13
     9  C     -1.669880    5.656696    0.581070     3     8    10    14
    10  O     -1.248651    5.182673   -0.463154     5     9
    11  HN     0.270686    3.807988    1.917167     4     7
    12  H     -1.580901    4.788165    2.605146     6     8
    13  H     -0.770540    6.345627    2.461306     6     8
    14  N     -2.866829    6.255844    0.743769     1     9    15    18
    15  CA    -3.862278    6.564452   -0.245518     2    14    16    19    20
    16  C     -3.666101    8.005601   -0.787676     3    15    17    21
    17  O     -2.501830    8.513610   -0.748677     5    16
    18  HN    -3.224357    6.508584    1.689262     4    14
    19  H     -3.854005    5.826492   -1.099606     6    15
    20  H     -4.874330    6.414168    0.141259     6    15
    21  N     -4.774967    8.557148   -1.448708     1    16    22    25
    22  CA    -4.711862    9.848812   -2.072206     2    21    23    26    27
    23  C     -4.784951   10.934359   -1.047377     3    22    24    28
    24  O     -4.489507   10.662001    0.114936     5    23
    25  HN    -5.640411    8.062210   -1.633524     4    21
    26  H     -3.749836    9.939401   -2.671264     6    22
    27  H     -5.537433    9.995472   -2.868526     6    22
    28  N     -5.270659   12.152304   -1.443227     1    23    29    32
    29  CA    -5.267148   13.421532   -0.768365     2    28    30    33    34
    30  C     -6.623457   13.649275   -0.019711     3    29    31    35
    31  O     -7.651687   12.964048   -0.324610     5    30
    32  HN    -5.442686   12.203069   -2.473730     4    28
    33  H     -4.392325   13.483676    0.010350     6    29
    34  H     -5.158244   14.220865   -1.542786     6    29
    35  N     -6.637534   14.473024    1.056245     1    30    36    39
    36  CA    -7.712020   14.733421    1.971110     2    35    37    40    41
    37  C     -7.620184   16.030984    2.765490     3    36    38    42
    38  O     -8.163718   16.066130    3.917297     5    37
    39  HN    -5.726268   14.914332    1.310319     4    35
    40  H     -8.753851   14.650062    1.477911     6    36
    41  H     -7.794454   13.881357    2.626969     6    36
    42  N     -6.910814   17.086623    2.221267     1    37    43    46
    43  CA    -6.545390   18.411453    2.771819     2    42    44    47    48
    44  C     -7.416413   19.645046    2.519936     3    43    45    49
    45  O     -7.962865   19.813233    1.408107     5    44
    46  HN    -6.483919   17.064105    1.264358     4    42
    47  H     -6.428235   18.240287    3.935634     6    43
    48  H     -5.508984   18.700321    2.397709     6    43
    49  N     -7.386164   20.661516    3.400083     1    44    50    53
    50  CA    -8.109792   21.907570    3.272767     2    49    51    54    55
    51  C     -7.333053   23.224799    3.385695     3    50    52    56
    52  O     -6.343243   23.354730    2.677919     5    51
    53  HN    -6.890521   20.539441    4.279718     4    49
    54  H     -8.628321   22.005837    2.320143     6    50
    55  H     -8.911726   21.823019    4.113185     6    50
    56  N     -7.720390   24.048598    4.403885     1    51    57    60
    57  CA    -7.061432   25.367633    4.751312     2    56    58    61    62
    58  C     -7.538943   26.461756    3.857050     3    57    59    63
    59  O     -8.729653   26.702253    3.699489     5    58
    60  HN    -8.462742   23.847687    5.009552     4    56
    61  H     -7.226585   25.679368    5.790479     6    57
    62  H     -5.977061   25.202207    4.678864     6    57
    63  N     -6.610250   27.088302    3.071972     1    58    64    67
    64  CA    -6.938631   28.161997    2.090725     2    63    65    68    69
    65  C     -7.636995   27.633667    0.876677     3    64    66    70
    66  O     -7.596728   26.448797    0.621299     5    65
    67  HN    -5.670785   26.689942    2.952470     4    63
    68  H     -7.599378   28.932213    2.611813     6    64
    69  H     -5.989215   28.634179    1.880246     6    64
    70  N     -8.264501   28.456421   -0.004302     1    65    71    74
    71  CA    -9.204838   28.155382   -1.046774     2    70    72    75    76
    72  C     -8.966471   28.985446   -2.327485     3    71    73    77
    73  O     -7.819270   29.347954   -2.602486     5    72
    74  HN    -8.095887   29.529477    0.078061     4    70
    75  H     -9.180598   27.117445   -1.322566     6    71
    76  H    -10.232755   28.316216   -0.593373     6    71
    77  N    -10.051809   29.356965   -3.086276     1    72    78    81
    78  CA   -10.160215   30.280311   -4.195326     2    77    79    82    83
    79  C    -10.342644   29.702782   -5.578601     3    78    80    84
    80  O    -10.604370   28.500558   -5.705735     5    79
    81  HN   -11.025748   28.886179   -2.927800     4    77
    82  H    -11.060587   30.877902   -3.968336     6    78
    83  H     -9.223988   30.876858   -4.148947     6    78
    84  N    -10.247733   30.566755   -6.635797     1    79    85    88
    85  CA   -10.467837   30.122724   -7.949140     2    84    86    89    90
    86  C    -11.937322   30.601567   -8.399749     3    85    87    91
    87  O    -12.639010   31.437036   -7.826236     5    86
    88  HN   -10.038427   31.538625   -6.554777     4    84
    89  H     -9.659217   30.486666   -8.596107     6    85
    90  H    -10.455931   28.980214   -8.218859     6    85
    91  N    -12.419268   29.993918   -9.454872   230    86    92    93
    92  C    -13.672358   30.072880  -10.068515   232    91    94    95    96
    93  HN   -11.883551   29.261357   -9.874156   231    91
    94  H    -14.010787   29.082010  -10.458263   233    92
    95  H    -13.755237   30.776861  -10.986280   233    92
    96  H    -14.442332   30.386748   -9.304543   233    92
96 12_Glycine
     1  C      9.062057    5.353609    4.358248   224     2     4     5     6
     2  C      8.067239    4.362872    3.848100   226     1     3     7
     3  O      6.972849    4.273437    4.369470   227     2
     4  H      9.631889    5.799320    3.574843   225     1
     5  H      9.814697    4.789185    4.923053   225     1
     6  H      8.645012    6.169103    4.979997   225     1
     7  N      8.356804    3.616392    2.726204     1     2     8    11
     8  CA     7.358569    2.662980    2.138004     2     7     9    12    13
     9  C      7.416958    2.870189    0.625475     3     8    10    14
    10  O      8.005537    3.740485    0.028601     5     9
    11  HN     9.199078    3.840317    2.176378     4     7
    12  H      7.642967    1.503924    2.366463     6     8
    13  H      6.335224    2.966776    2.476512     6     8
    14  N      6.910393    1.839617   -0.098209     1     9    15    18
    15  CA     6.828472    1.891182   -1.579223     2    14    16    19    20
    16  C      5.722039    0.987509   -2.135748     3    15    17    21
    17  O      5.930943    0.350574   -3.168741     5    16
    18  HN     6.701395    0.950003    0.411428     4    14
    19  H      6.533879    2.881306   -2.037736     6    15
    20  H      7.801253    1.577291   -2.020710     6    15
    21  N      4.526783    0.857726   -1.407741     1    16    22    25
    22  CA     3.445357   -0.065309   -1.871639     2    21    23    26    27
    23  C      2.222652    0.680574   -2.375014     3    22    24    28
    24  O      2.057012    1.889368   -2.149370     5    23
    25  HN     4.283125    1.362562   -0.537718     4    21
    26  H      3.791542   -0.714911   -2.699687     6    22
    27  H      3.126403   -0.655846   -0.977666     6    22
    28  N      1.236136   -0.048271   -2.913416     1    23    29    32
    29  CA    -0.119766    0.351646   -3.258156     2    28    30    33    34
    30  C     -1.100532   -0.831097   -3.189306     3    29    31    35
    31  O     -0.959138   -1.821942   -2.499739     5    30
    32  HN     1.312907   -1.048636   -3.122515     4    28
    33  H     -0.494543    1.137074   -2.548170     6    29
    34  H     -0.037044    0.907837   -4.249411     6    29
    35  N     -2.019246   -0.828608   -4.207041     1    30    36    39
    36  CA    -2.947684   -1.913275   -4.509646     2    35    37    40    41
    37  C     -4.326730   -1.435314   -4.284741     3    36    38    42
    38  O     -4.629555   -0.212112   -4.247017     5    37
    39  HN    -2.178969    0.057196   -4.675676     4    35
    40  H     -2.832418   -2.225804   -5.566435     6    36
    41  H     -2.710361   -2.803610   -3.951453     6    36
    42  N     -5.168618   -2.437563   -4.113256     1    37    43    46
    43  CA    -6.534706   -2.307662   -3.747536     2    42    44    47    48
    44  C     -6.830338   -1.508649   -2.465106     3    43    45    49
    45  O     -6.037444   -1.361930   -1.564866     5    44
    46  HN    -4.856283   -3.427845   -4.184707     4    42
    47  H     -7.067567   -1.883191   -4.613421     6    43
    48  H     -7.022407   -3.303142   -3.645488     6    43
    49  N     -8.113011   -1.052053   -2.353285     1    44    50    53
    50  CA    -8.593674   -0.273957   -1.202864     2    49    51    54    55
    51  C     -8.572788    1.235855   -1.515230     3    50    52    56
    52  O     -8.329781    1.685591   -2.634971     5    51
    53  HN    -8.797974   -1.205892   -3.125772     4    49
    54  H     -9.703341   -0.489254   -0.970192     6    50
    55  H     -8.093880   -0.519991   -0.213074     6    50
    56  N     -8.728816    2.037299   -0.485003     1    51    57    60
    57  CA    -8.785238    3.466371   -0.696134     2    56    58    61    62
    58  C     -9.929811    4.037733   -1.572294     3    57    59    63
    59  O    -10.863102    3.349040   -2.004761     5    58
    60  HN    -8.885843    1.653414    0.453034     4    56
    61  H     -8.783934    3.917978    0.293637     6    57
    62  H     -7.855960    3.731334   -1.246969     6    57
    63  N     -9.880370    5.381353   -1.833613     1    58    64    67
    64  CA   -10.788034    6.187099   -2.603628     2    63    65    68    69
    65  C    -10.204834    7.231818   -3.585632     3    64    66    70
    66  O     -9.013529    7.204670   -3.943074     5    65
    67  HN    -9.120064    5.997389   -1.509299     4    63
    68  H    -11.450695    5.487281   -3.251773     6    64
    69  H    -11.514051    6.699013   -1.933574     6    64
    70  N    -10.981850    8.266693   -3.935754     1    65    71    74
    71  CA   -10.502768    9.369144   -4.736466     2    70    72    75    76
    72  C    -11.730352   10.083695   -5.303265     3    71    73    77
    73  O    -12.848427    9.523977   -5.413146     5    72
    74  HN   -11.972075    8.108973   -3.925084     4    70
    75  H    -10.004691   10.077922   -3.982784     6    71
    76  H     -9.719856    8.996521   -5.543741     6    71
    77  N    -11.615250   11.389163   -5.663306     1    72    78    81
    78  CA   -12.695188   12.215982   -6.200653     2    77    79    82    83
    79  C    -12.406834   13.635475   -6.648379     3    78    80    84
    80  O    -13.320562   14.463342   -6.743058     5    79
    81  HN   -10.662024   11.889297   -5.567402     4    77
    82  H    -13.054179   11.649153   -7.065163     6    78
    83  H    -13.558263   12.178702   -5.422917     6    78
    84  N    -11.123701   13.932936   -7.006836     1    79    85    88
    85  CA   -10.577381   15.240784   -7.351320     2    84    86    89    90
    86  C    -10.514838   15.604027   -8.826426     3    85    87    91
    87  O    -10.459978   16.756414   -9.288230     5    86
    88  HN   -10.338455   13.207795   -7.075933     4    84
    89  H    -11.073764   16.040323   -6.831288     6    85
    90  H     -9.519381   15.270710   -6.874685     6    85
    91  N    -10.583359   14.597426   -9.769819   230    86    92    93
    92  C    -10.786373   14.771957  -11.169721   232    91    94    95    96
    93  HN   -10.119568   13.712703   -9.527823   231    91
    94  H     -9.939295   15.330423  -11.549539   233    92
    95  H    -11.699441   15.303147  -11.334184   233    92
    96  H    -10.799211   13.765766  -11.702490   233    92
96 12_Glycine
     1  C     -0.343542   -9.130899   17.563147   224     2     4     5     6
     2  C     -0.750239  -10.600924   17.330694   226     1     3     7
     3  O     -1.463310  -11.201387   18.147972   227     2
     4  H     -1.230735   -8.546646   17.300469   225     1
     5  H      0.538798   -8.772525   16.887722   225     1
     6  H      0.066777   -9.007676   18.632230   225     1
     7  N     -0.260879  -11.145357   16.212412     1     2     8    11
     8  CA    -0.345486  -12.506592   15.754166     2     7     9    12    13
     9  C     -1.125653  -12.613046   14.441057     3     8    10    14
    10  O     -1.872430  -11.687133   14.120980     5     9
    11  HN     0.232687  -10.558993   15.476706     4     7
    12  H      0.718247  -12.926770   15.630136     6     8
    13  H     -0.744998  -13.220477   16.489908     6     8
    14  N     -0.974033  -13.806099   13.774694     1     9    15    18
    15  CA    -1.637895  -14.185209   12.556749     2    14    16    19    20
    16  C     -2.714876  -15.251882   12.956737     3    15    17    21
    17  O     -3.624984  -14.978096   13.750780     5    16
    18  HN    -0.387541  -14.611530   14.096368     4    14
    19  H     -1.986405  -13.281049   11.992449     6    15
    20  H     -0.849190  -14.623986   11.847156     6    15
    21  N     -2.510318  -16.477587   12.439182     1    16    22    25
    22  CA    -3.483306  -17.529391   12.437561     2    21    23    26    27
    23  C     -4.864899  -17.241106   11.694971     3    22    24    28
    24  O     -4.791862  -16.587995   10.639454     5    23
    25  HN    -1.693561  -16.546948   11.829175     4    21
    26  H     -3.076565  -18.600219   12.090095     6    22
    27  H     -3.689695  -17.781364   13.501540     6    22
    28  N     -6.017893  -17.823132   12.120220     1    23    29    32
    29  CA    -7.363685  -17.697629   11.563784     2    28    30    33    34
    30  C     -7.578660  -18.565010   10.335456     3    29    31    35
    31  O     -6.607451  -19.110673    9.730073     5    30
    32  HN    -5.958982  -18.644265   12.817879     4    28
    33  H     -8.077647  -17.978414   12.330639     6    29
    34  H     -7.555626  -16.670352   11.305672     6    29
    35  N     -8.831341  -18.482085    9.856205     1    30    36    39
    36  CA    -9.231041  -19.173807    8.689989     2    35    37    40    41
    37  C     -9.160969  -20.691555    8.832514     3    36    38    42
    38  O     -9.146412  -21.261341    9.903127     5    37
    39  HN    -9.538426  -18.184417   10.524932     4    35
    40  H    -10.171492  -18.914738    8.273176     6    36
    41  H     -8.510171  -18.855774    7.917951     6    36
    42  N     -9.127585  -21.408561    7.720615     1    37    43    46
    43  CA    -9.281281  -22.849679    7.658878     2    42    44    47    48
    44  C    -10.640927  -23.299573    8.252496     3    43    45    49
    45  O    -11.525989  -22.472257    8.514242     5    44
    46  HN    -8.643756  -20.997310    6.957116     4    42
    47  H     -9.351280  -23.287155    6.633441     6    43
    48  H     -8.405991  -23.402626    8.195610     6    43
    49  N    -10.814072  -24.640059    8.322402     1    44    50    53
    50  CA   -11.961492  -25.410610    8.788575     2    49    51    54    55
    51  C    -12.778613  -25.954905    7.675743     3    50    52    56
    52  O    -12.363023  -25.864132    6.487871     5    51
    53  HN   -10.028711  -25.224755    7.993706     4    49
    54  H    -11.474456  -26.238612    9.252220     6    50
    55  H    -12.538730  -24.916862    9.596151     6    50
    56  N    -14.011057  -26.252927    7.964129     1    51    57    60
    57  CA   -14.980093  -26.634949    6.964075     2    56    58    61    62
    58  C    -16.459254  -26.256454    7.222100     3    57    59    63
    59  O    -17.342152  -27.009660    6.842378     5    58
    60  HN   -14.426498  -26.147748    8.912403     4    56
    61  H    -14.703881  -26.374827    5.935504     6    57
    62  H    -15.042980  -27.720612    6.936754     6    57
    63  N    -16.804041  -25.126458    7.936386     1    58    64    67
    64  CA   -18.221409  -24.642897    8.151058     2    63    65    68    69
    65  C    -18.270601  -23.096695    8.191637     3    64    66    70
    66  O    -17.204674  -22.429407    8.330308     5    65
    67  HN   -16.122067  -24.438695    8.318908     4    63
    68  H    -18.796043  -24.795094    7.165960     6    64
    69  H    -18.727877  -25.015722    9.107183     6    64
    70  N    -19.505317  -22.581818    8.249075     1    65    71    74
    71  CA   -19.835256  -21.191310    8.284044     2    70    72    75    76
    72  C    -20.350207  -20.616097    6.939656     3    71    73    77
    73  O    -20.163992  -21.283461    5.850946     5    72
    74  HN   -20.264489  -23.271985    8.267904     4    70
    75  H    -20.592018  -21.064832    9.094710     6    71
    76  H    -18.970785  -20.580498    8.676795     6    71
    77  N    -21.170100  -19.574367    7.023695     1    72    78    81
    78  CA   -21.917396  -18.987045    5.996625     2    77    79    82    83
    79  C    -22.075834  -17.496401    5.927590     3    78    80    84
    80  O    -22.131712  -16.800599    4.868000     5    79
    81  HN   -21.112122  -19.046370    7.884900     4    77
    82  H    -21.426491  -19.320370    5.025171     6    78
    83  H    -22.956551  -19.440819    5.900875     6    78
    84  N    -22.114193  -16.961558    7.193591     1    79    85    88
    85  CA   -22.587637  -15.569954    7.391296     2    84    86    89    90
    86  C    -24.028318  -15.185317    7.117323     3    85    87    91
    87  O    -24.380865  -13.977831    7.305872     5    86
    88  HN   -22.033104  -17.411286    8.129276     4    84
    89  H    -22.360898  -15.190410    8.409877     6    85
    90  H    -22.062053  -14.896580    6.711428     6    85
    91  N    -24.874103  -16.180460    6.829916   230    86    92    93
    92  C    -26.293956  -16.057276    6.988530   232    91    94    95    96
    93  HN   -24.623844  -17.164967    6.875128   231    91
    94  H    -26.735850  -16.289098    6.019717   233    92
    95  H    -26.641568  -15.053549    7.299149   233    92
    96  H    -26.679703  -16.855576    7.700113   233    92
96 12_Glycine
     1  C    -14.874412    3.300029   -7.100254   224     2     4     5     6
     2  C    -15.147797    2.699584   -8.455287   226     1     3     7
     3  O    -16.292423    2.752669   -8.962636   227     2
     4  H    -13.863382    3.613495   -6.872341   225     1
     5  H    -15.160310    2.561084   -6.303664   225     1
     6  H    -15.611326    4.110810   -6.953254   225     1
     7  N    -14.190783    2.100187   -9.183616     1     2     8    11
     8  CA   -14.307229    1.547122  -10.493429     2     7     9    12    13
     9  C    -14.044565    0.038845  -10.357351     3     8    10    14
    10  O    -14.186201   -0.552830   -9.295999     5     9
    11  HN   -13.306069    1.776664   -8.757719     4     7
    12  H    -15.327770    1.644379  -10.984800     6     8
    13  H    -13.553952    1.981986  -11.239994     6     8
    14  N    -13.584113   -0.630575  -11.450198     1     9    15    18
    15  CA   -13.303404   -2.018577  -11.396859     2    14    16    19    20
    16  C    -14.494418   -3.002269  -11.518698     3    15    17    21
    17  O    -15.650435   -2.665579  -11.957156     5    16
    18  HN   -13.386965   -0.146788  -12.335427     4    14
    19  H    -12.691853   -2.306083  -12.273295     6    15
    20  H    -12.622427   -2.256787  -10.543250     6    15
    21  N    -14.287872   -4.266651  -11.071955     1    16    22    25
    22  CA   -15.322409   -5.300086  -10.946660     2    21    23    26    27
    23  C    -16.495560   -5.091953   -9.899721     3    22    24    28
    24  O    -16.407624   -4.233222   -8.991910     5    23
    25  HN   -13.355700   -4.636604  -10.950207     4    21
    26  H    -15.603528   -5.598210  -11.998043     6    22
    27  H    -14.713524   -6.079332  -10.537495     6    22
    28  N    -17.601657   -5.856818  -10.114984     1    23    29    32
    29  CA   -18.674224   -6.105763   -9.121720     2    28    30    33    34
    30  C    -20.071750   -6.496384   -9.516695     3    29    31    35
    31  O    -20.929732   -6.727619   -8.666105     5    30
    32  HN   -17.658162   -6.524614  -10.959797     4    28
    33  H    -18.366663   -6.898524   -8.420873     6    29
    34  H    -18.768364   -5.178028   -8.439831     6    29
    35  N    -20.328313   -6.565246  -10.820491     1    30    36    39
    36  CA   -21.637709   -6.815415  -11.324793     2    35    37    40    41
    37  C    -22.489859   -5.508522  -11.372435     3    36    38    42
    38  O    -21.959966   -4.435983  -11.676250     5    37
    39  HN   -19.620341   -6.277490  -11.461711     4    35
    40  H    -21.640374   -7.110640  -12.415853     6    36
    41  H    -22.099402   -7.731966  -10.871913     6    36
    42  N    -23.798353   -5.660235  -10.969497     1    37    43    46
    43  CA   -24.731344   -4.618894  -10.810068     2    42    44    47    48
    44  C    -24.388664   -3.741137   -9.553656     3    43    45    49
    45  O    -23.651297   -4.122412   -8.602191     5    44
    46  HN   -24.097893   -6.690376  -10.724905     4    42
    47  H    -24.624956   -3.968949  -11.697798     6    43
    48  H    -25.771214   -4.869064  -10.748161     6    43
    49  N    -24.988958   -2.528685   -9.458287     1    44    50    53
    50  CA   -24.885621   -1.683634   -8.278042     2    49    51    54    55
    51  C    -23.426627   -1.255085   -8.110718     3    50    52    56
    52  O    -22.793600   -0.783740   -9.062725     5    51
    53  HN   -25.684882   -2.194042  -10.161819     4    49
    54  H    -25.589367   -0.797107   -8.336251     6    50
    55  H    -25.152612   -2.225207   -7.386357     6    50
    56  N    -22.906007   -1.332856   -6.862427     1    51    57    60
    57  CA   -21.544903   -1.032895   -6.500034     2    56    58    61    62
    58  C    -21.477299    0.345334   -5.889673     3    57    59    63
    59  O    -22.425841    1.138100   -6.005323     5    58
    60  HN   -23.458763   -1.797608   -6.098190     4    56
    61  H    -21.180268   -1.821796   -5.737999     6    57
    62  H    -20.827788   -1.062896   -7.342593     6    57
    63  N    -20.326744    0.675098   -5.276754     1    58    64    67
    64  CA   -20.046330    1.890455   -4.580838     2    63    65    68    69
    65  C    -19.445375    1.956777   -3.195086     3    64    66    70
    66  O    -19.055113    3.056250   -2.801359     5    65
    67  HN   -19.530159   -0.000045   -5.433516     4    63
    68  H    -19.320018    2.440628   -5.256671     6    64
    69  H    -20.979328    2.510304   -4.467543     6    64
    70  N    -19.232932    0.786186   -2.569202     1    65    71    74
    71  CA   -18.632225    0.748356   -1.244222     2    70    72    75    76
    72  C    -19.658695    1.080797   -0.127601     3    71    73    77
    73  O    -20.848642    1.182467   -0.390350     5    72
    74  HN   -19.549459   -0.122907   -2.990989     4    70
    75  H    -18.120270   -0.151336   -1.084094     6    71
    76  H    -17.788702    1.480379   -1.302867     6    71
    77  N    -19.184790    1.110763    1.193204     1    72    78    81
    78  CA   -19.978718    1.283448    2.329588     2    77    79    82    83
    79  C    -19.371927    2.253450    3.383812     3    78    80    84
    80  O    -19.438649    1.986450    4.610381     5    79
    81  HN   -18.183607    1.116873    1.357071     4    77
    82  H    -21.022494    1.666074    2.068509     6    78
    83  H    -20.193494    0.279906    2.906011     6    78
    84  N    -18.808625    3.371910    2.899435     1    79    85    88
    85  CA   -18.163531    4.430535    3.621456     2    84    86    89    90
    86  C    -19.226319    5.426165    4.148887     3    85    87    91
    87  O    -20.434588    5.098871    4.170980     5    86
    88  HN   -18.834567    3.540428    1.914552     4    84
    89  H    -17.653582    4.071789    4.523897     6    85
    90  H    -17.402815    4.968228    3.003552     6    85
    91  N    -18.753027    6.644175    4.451061   230    86    92    93
    92  C    -19.596073    7.736923    4.924829   232    91    94    95    96
    93  HN   -17.744496    6.879113    4.507859   231    91
    94  H    -19.434167    8.658843    4.285150   233    92
    95  H    -19.336749    8.031879    5.942617   233    92
    96  H    -20.671663    7.594758    4.878874   233    92
96 12_Glycine
     1  C      9.446789   -7.853039  -12.434557   224     2     4     5     6
     2  C      9.420634   -9.302880  -11.925387   226     1     3     7
     3  O      8.735990   -9.557853  -10.939059   227     2
     4  H      8.425004   -7.700626  -13.032443   225     1
     5  H     10.287841   -7.740262  -13.240011   225     1
     6  H      9.471154   -7.108304  -11.608927   225     1
     7  N     10.209194  -10.221396  -12.544499     1     2     8    11
     8  CA    10.393023  -11.570051  -12.171279     2     7     9    12    13
     9  C     11.916033  -11.998343  -12.457051     3     8    10    14
    10  O     12.851268  -11.187333  -12.584657     5     9
    11  HN    10.821352   -9.851728  -13.324705     4     7
    12  H     10.276540  -11.594824  -11.020838     6     8
    13  H      9.750875  -12.278478  -12.702288     6     8
    14  N     12.043948  -13.316047  -12.655736     1     9    15    18
    15  CA    13.229492  -13.946096  -12.979532     2    14    16    19    20
    16  C     13.714461  -13.453315  -14.359731     3    15    17    21
    17  O     12.888713  -13.182230  -15.292803     5    16
    18  HN    11.188826  -13.920537  -12.705854     4    14
    19  H     13.965768  -13.773897  -12.180149     6    15
    20  H     13.096851  -15.037378  -13.136503     6    15
    21  N     15.014088  -13.427861  -14.510925     1    16    22    25
    22  CA    15.701290  -12.857170  -15.593943     2    21    23    26    27
    23  C     17.134302  -12.445260  -15.228203     3    22    24    28
    24  O     18.014887  -12.536189  -16.124695     5    23
    25  HN    15.630093  -13.859050  -13.835112     4    21
    26  H     15.798137  -13.551619  -16.481998     6    22
    27  H     15.078371  -12.068950  -15.969007     6    22
    28  N     17.476962  -12.343349  -13.892548     1    23    29    32
    29  CA    18.850038  -12.256064  -13.462956     2    28    30    33    34
    30  C     19.176417  -12.442542  -11.995962     3    29    31    35
    31  O     20.257564  -12.083856  -11.503761     5    30
    32  HN    16.753823  -12.183370  -13.189717     4    28
    33  H     19.362995  -13.078620  -13.941129     6    29
    34  H     19.300074  -11.295958  -13.708328     6    29
    35  N     18.310516  -13.162109  -11.180801     1    30    36    39
    36  CA    18.482145  -13.423047   -9.772996     2    35    37    40    41
    37  C     17.431967  -12.711717   -8.948798     3    36    38    42
    38  O     17.591861  -12.775480   -7.717938     5    37
    39  HN    17.471021  -13.553400  -11.599193     4    35
    40  H     18.518718  -14.486517   -9.612209     6    36
    41  H     19.510284  -13.049239   -9.405865     6    36
    42  N     16.487440  -11.925657   -9.514313     1    37    43    46
    43  CA    15.470045  -11.193073   -8.871562     2    42    44    47    48
    44  C     14.036608  -11.728286   -9.087345     3    43    45    49
    45  O     13.799354  -12.782897   -9.689466     5    44
    46  HN    16.461643  -11.887247  -10.613053     4    42
    47  H     15.587722  -11.254830   -7.730049     6    43
    48  H     15.597089  -10.116654   -9.181137     6    43
    49  N     13.037338  -10.921297   -8.561015     1    44    50    53
    50  CA    11.547380  -11.098446   -8.546650     2    49    51    54    55
    51  C     10.823105   -9.756046   -8.619501     3    50    52    56
    52  O     11.326797   -8.767402   -9.157249     5    51
    53  HN    13.243607  -10.022569   -8.172217     4    49
    54  H     11.305520  -11.809666   -9.417587     6    50
    55  H     11.309436  -11.683691   -7.667886     6    50
    56  N      9.618909   -9.771772   -8.056605     1    51    57    60
    57  CA     8.728369   -8.669852   -7.779221     2    56    58    61    62
    58  C      9.140330   -7.865156   -6.543705     3    57    59    63
    59  O     10.199303   -8.173909   -5.955268     5    58
    60  HN     9.213052  -10.607721   -7.601894     4    56
    61  H      8.649567   -7.996549   -8.676294     6    57
    62  H      7.731505   -9.092211   -7.524901     6    57
    63  N      8.184009   -7.027569   -6.179330     1    58    64    67
    64  CA     8.221736   -6.290112   -4.947777     2    63    65    68    69
    65  C      7.529018   -4.921673   -5.194338     3    64    66    70
    66  O      7.760146   -4.100883   -6.097365     5    65
    67  HN     7.355462   -6.905329   -6.769889     4    63
    68  H      7.834921   -6.904853   -4.097108     6    64
    69  H      9.327165   -6.070425   -4.686386     6    64
    70  N      6.701863   -4.451309   -4.205014     1    65    71    74
    71  CA     5.895661   -3.283425   -4.042887     2    70    72    75    76
    72  C      5.935127   -2.657136   -2.649252     3    71    73    77
    73  O      7.029541   -2.522977   -2.052068     5    72
    74  HN     6.438707   -5.115797   -3.480409     4    70
    75  H      6.369250   -2.482267   -4.739410     6    71
    76  H      4.889796   -3.483738   -4.530516     6    71
    77  N      4.774546   -2.032733   -2.311759     1    72    78    81
    78  CA     4.653670   -1.137005   -1.170022     2    77    79    82    83
    79  C      3.960872   -1.895869   -0.114443     3    78    80    84
    80  O      3.835825   -3.107608   -0.124646     5    79
    81  HN     3.998488   -1.851806   -3.018894     4    77
    82  H      5.634925   -0.932825   -0.731909     6    78
    83  H      4.189040   -0.246748   -1.531221     6    78
    84  N      3.429621   -1.171995    0.905921     1    79    85    88
    85  CA     2.629082   -1.686917    1.978813     2    84    86    89    90
    86  C      3.037312   -1.478145    3.446317     3    85    87    91
    87  O      2.212893   -1.720262    4.361896     5    86
    88  HN     3.439613   -0.132970    0.867327     4    84
    89  H      1.587983   -1.336759    1.898617     6    85
    90  H      2.575284   -2.846264    1.901960     6    85
    91  N      4.234674   -0.889694    3.685205   230    86    92    93
    92  C      4.909904   -0.466491    4.891967   232    91    94    95    96
    93  HN     4.808526   -0.662804    2.870457   231    91
    94  H      5.535421   -1.342506    5.217041   233    92
    95  H      4.262578   -0.154434    5.741769   233    92
    96  H      5.629245    0.459377    4.741654   233    92
96 12_Glycine
     1  C      8.294181    5.225891    2.583297   224     2     4     5     6
     2  C      8.809946    3.883798    2.245505   226     1     3     7
     3  O      9.759395    3.448345    2.849020   227     2
     4  H      7.823358    5.106664    3.620941   225     1
     5  H      7.504191    5.645275    1.900244   225     1
     6  H      9.186389    5.912110    2.627186   225     1
     7  N      8.244042    3.161106    1.217174     1     2     8    11
     8  CA     8.721131    1.893443    0.763922     2     7     9    12    13
     9  C      7.675402    0.919297    0.088527     3     8    10    14
    10  O      7.985467    0.434819   -1.011257     5     9
    11  HN     7.423588    3.647987    0.731080     4     7
    12  H      9.502505    1.963246    0.034091     6     8
    13  H      9.091013    1.246254    1.632713     6     8
    14  N      6.483383    0.778042    0.808604     1     9    15    18
    15  CA     5.421377   -0.080106    0.364099     2    14    16    19    20
    16  C      3.978941    0.545249    0.394476     3    15    17    21
    17  O      3.799716    1.736726    0.099566     5    16
    18  HN     6.220274    1.296547    1.647126     4    14
    19  H      5.684097   -0.480346   -0.643302     6    15
    20  H      5.451621   -1.046618    0.991358     6    15
    21  N      2.987775   -0.280118    0.494776     1    16    22    25
    22  CA     1.593548    0.028801    0.287207     2    21    23    26    27
    23  C      0.524103   -1.055874    0.698885     3    22    24    28
    24  O     -0.508478   -1.199615    0.051098     5    23
    25  HN     3.148452   -1.273023    0.468633     4    21
    26  H      1.431109    0.871220    0.999790     6    22
    27  H      1.323422    0.429722   -0.720476     6    22
    28  N      0.948946   -1.814241    1.811247     1    23    29    32
    29  CA     0.110212   -2.860031    2.320167     2    28    30    33    34
    30  C      0.433600   -4.231375    1.751128     3    29    31    35
    31  O      1.635737   -4.482125    1.445897     5    30
    32  HN     1.887466   -1.733589    2.259638     4    28
    33  H      0.289055   -2.864360    3.425025     6    29
    34  H     -1.001868   -2.578034    2.228487     6    29
    35  N     -0.567429   -5.106501    1.804260     1    30    36    39
    36  CA    -0.564638   -6.544404    1.528476     2    35    37    40    41
    37  C     -1.631510   -7.111083    0.513634     3    36    38    42
    38  O     -1.854318   -8.375468    0.507666     5    37
    39  HN    -1.463552   -4.848395    2.326889     4    35
    40  H      0.393159   -6.937149    1.206768     6    36
    41  H     -0.524192   -7.049532    2.554000     6    36
    42  N     -2.230085   -6.264934   -0.302707     1    37    43    46
    43  CA    -2.936703   -6.472459   -1.524961     2    42    44    47    48
    44  C     -2.195220   -6.027678   -2.735184     3    43    45    49
    45  O     -0.959861   -5.987313   -2.757637     5    44
    46  HN    -2.256877   -5.304730   -0.040826     4    42
    47  H     -3.249294   -7.534581   -1.731547     6    43
    48  H     -3.940644   -5.965413   -1.387762     6    43
    49  N     -3.010554   -5.838847   -3.843872     1    44    50    53
    50  CA    -2.439445   -5.409797   -5.140349     2    49    51    54    55
    51  C     -1.898369   -3.966200   -5.178512     3    50    52    56
    52  O     -1.560769   -3.324020   -4.214709     5    51
    53  HN    -3.983717   -5.892337   -3.657523     4    49
    54  H     -1.704976   -6.162431   -5.402951     6    50
    55  H     -3.173260   -5.578230   -5.956870     6    50
    56  N     -1.824898   -3.413390   -6.437415     1    51    57    60
    57  CA    -1.453069   -2.075265   -6.771442     2    56    58    61    62
    58  C     -2.752531   -1.297968   -6.998996     3    57    59    63
    59  O     -3.894115   -1.744062   -7.037019     5    58
    60  HN    -2.101461   -3.991218   -7.256000     4    56
    61  H     -1.031034   -1.653640   -5.853720     6    57
    62  H     -0.759352   -2.001774   -7.667321     6    57
    63  N     -2.547277    0.039796   -7.280028     1    58    64    67
    64  CA    -3.551111    1.128981   -7.374345     2    63    65    68    69
    65  C     -3.153600    2.542406   -7.775438     3    64    66    70
    66  O     -3.779957    3.518815   -7.382998     5    65
    67  HN    -1.588525    0.401063   -7.183117     4    63
    68  H     -4.307508    0.857260   -8.214691     6    64
    69  H     -4.090177    1.214824   -6.392265     6    64
    70  N     -1.996626    2.626523   -8.484321     1    65    71    74
    71  CA    -1.436209    3.882201   -8.984312     2    70    72    75    76
    72  C     -0.137674    4.200603   -8.306436     3    71    73    77
    73  O      0.251373    3.452489   -7.418180     5    72
    74  HN    -1.515278    1.801939   -8.857714     4    70
    75  H     -1.180465    3.660478  -10.033310     6    71
    76  H     -2.072738    4.779548   -9.036233     6    71
    77  N      0.478519    5.250993   -8.865055     1    72    78    81
    78  CA     1.645625    5.935682   -8.323160     2    77    79    82    83
    79  C      1.822041    7.314343   -8.984764     3    78    80    84
    80  O      0.785816    7.965622   -9.443952     5    79
    81  HN     0.050646    5.789984   -9.653718     4    77
    82  H      1.689563    6.097975   -7.238077     6    78
    83  H      2.541207    5.213328   -8.468829     6    78
    84  N      3.059306    7.891514   -9.167797     1    79    85    88
    85  CA     3.183592    9.144035   -9.876331     2    84    86    89    90
    86  C      4.411139    9.908232   -9.280538     3    85    87    91
    87  O      4.296368   10.796992   -8.437532     5    86
    88  HN     3.930838    7.420724   -8.989363     4    84
    89  H      3.377666    8.943419  -10.984401     6    85
    90  H      2.317233    9.779572   -9.932810     6    85
    91  N      5.601388    9.383290   -9.690229   230    86    92    93
    92  C      6.945492    9.779452   -9.333133   232    91    94    95    96
    93  HN     5.630354    8.626580  -10.398427   231    91
    94  H      6.944400   10.939863   -9.406640   233    92
    95  H      7.767997    9.438185  -10.071961   233    92
    96  H      7.104374    9.520580   -8.255204   233    92
96 12_Glycine
     1  C     15.182261    0.945474  -12.196488   224     2     4     5     6
     2  C     15.728559   -0.487683  -12.512132   226     1     3     7
     3  O     15.207336   -1.524477  -12.039250   227     2
     4  H     15.748525    1.796789  -12.717317   225     1
     5  H     15.455044    1.109161  -11.166514   225     1
     6  H     14.113643    1.114664  -12.212571   225     1
     7  N     16.767477   -0.660418  -13.388160     1     2     8    11
     8  CA    17.453830   -1.993113  -13.508349     2     7     9    12    13
     9  C     18.552352   -2.247716  -12.609827     3     8    10    14
    10  O     18.466033   -1.936830  -11.415638     5     9
    11  HN    17.358698    0.103378  -13.594094     4     7
    12  H     16.786569   -2.827422  -13.544248     6     8
    13  H     17.889541   -2.026419  -14.548642     6     8
    14  N     19.592221   -2.982360  -13.112200     1     9    15    18
    15  CA    20.793358   -3.427818  -12.427896     2    14    16    19    20
    16  C     20.487657   -4.798677  -11.854034     3    15    17    21
    17  O     19.900931   -5.695139  -12.565261     5    16
    18  HN    19.582522   -3.390216  -14.058646     4    14
    19  H     21.624409   -3.591258  -13.167419     6    15
    20  H     21.137786   -2.717889  -11.655426     6    15
    21  N     20.799469   -4.931844  -10.550597     1    16    22    25
    22  CA    20.701553   -6.156361   -9.728847     2    21    23    26    27
    23  C     22.085855   -6.732056   -9.342450     3    22    24    28
    24  O     22.069450   -7.761673   -8.717194     5    23
    25  HN    21.212228   -4.113619  -10.119758     4    21
    26  H     20.270284   -5.864151   -8.718203     6    22
    27  H     20.110775   -6.974061  -10.145139     6    22
    28  N     23.267412   -6.065072   -9.696979     1    23    29    32
    29  CA    24.547709   -6.404692   -9.173800     2    28    30    33    34
    30  C     25.024385   -5.732374   -7.870519     3    29    31    35
    31  O     26.099489   -5.966039   -7.288913     5    30
    32  HN    23.234860   -5.163741  -10.177528     4    28
    33  H     24.524316   -7.494102   -9.036127     6    29
    34  H     25.324649   -6.241594   -9.966361     6    29
    35  N     24.169499   -4.811174   -7.362308     1    30    36    39
    36  CA    24.320591   -3.993179   -6.167733     2    35    37    40    41
    37  C     23.288743   -4.301452   -5.116669     3    36    38    42
    38  O     23.137510   -3.481748   -4.177770     5    37
    39  HN    23.297132   -4.627878   -7.886437     4    35
    40  H     25.341593   -4.148792   -5.712522     6    36
    41  H     24.263808   -2.901167   -6.516871     6    36
    42  N     22.488395   -5.376763   -5.356422     1    37    43    46
    43  CA    21.387187   -5.764039   -4.546354     2    42    44    47    48
    44  C     20.634072   -7.009093   -5.071542     3    43    45    49
    45  O     21.049379   -8.161823   -4.858564     5    44
    46  HN    22.588491   -6.086356   -6.113566     4    42
    47  H     21.660899   -5.995718   -3.475992     6    43
    48  H     20.656100   -4.888271   -4.423290     6    43
    49  N     19.387034   -6.801425   -5.597644     1    44    50    53
    50  CA    18.417223   -7.785548   -6.022694     2    49    51    54    55
    51  C     17.842176   -7.502995   -7.393394     3    50    52    56
    52  O     18.448126   -6.904338   -8.254534     5    51
    53  HN    19.003539   -5.835710   -5.751592     4    49
    54  H     18.795779   -8.780584   -6.090436     6    50
    55  H     17.654364   -7.773088   -5.244450     6    50
    56  N     16.618321   -7.985167   -7.518883     1    51    57    60
    57  CA    15.847706   -7.896831   -8.773590     2    56    58    61    62
    58  C     15.368293   -6.433749   -9.039846     3    57    59    63
    59  O     14.149795   -6.131912   -8.926966     5    58
    60  HN    16.220646   -8.493954   -6.756237     4    56
    61  H     16.377467   -8.296857   -9.599008     6    57
    62  H     14.875305   -8.510948   -8.784914     6    57
    63  N     16.279908   -5.590974   -9.490609     1    58    64    67
    64  CA    16.095973   -4.228902   -9.901571     2    63    65    68    69
    65  C     15.563489   -3.358058   -8.724590     3    64    66    70
    66  O     15.974183   -3.599387   -7.572192     5    65
    67  HN    17.230898   -5.917506   -9.630962     4    63
    68  H     17.113917   -3.828937  -10.367695     6    64
    69  H     15.310926   -4.281861  -10.745102     6    64
    70  N     14.817857   -2.243912   -9.081568     1    65    71    74
    71  CA    14.088362   -1.432908   -8.151187     2    70    72    75    76
    72  C     12.891287   -0.714791   -8.741206     3    71    73    77
    73  O     12.297291   -1.125225   -9.788111     5    72
    74  HN    14.599025   -2.131720  -10.092682     4    70
    75  H     13.712651   -2.088257   -7.306842     6    71
    76  H     14.742918   -0.592697   -7.824188     6    71
    77  N     12.330754    0.385499   -8.160479     1    72    78    81
    78  CA    11.178283    1.199744   -8.526922     2    77    79    82    83
    79  C     10.265573    1.497830   -7.318822     3    78    80    84
    80  O     10.390415    1.032478   -6.202398     5    79
    81  HN    12.880595    0.761084   -7.346152     4    77
    82  H     11.549403    2.215513   -8.801807     6    78
    83  H     10.612295    0.779935   -9.400865     6    78
    84  N      9.273773    2.361473   -7.676361     1    79    85    88
    85  CA     8.221260    2.769177   -6.738852     2    84    86    89    90
    86  C      6.978013    1.912585   -6.835170     3    85    87    91
    87  O      6.959962    0.952840   -7.635464     5    86
    88  HN     9.110993    2.655223   -8.666406     4    84
    89  H      8.538094    2.904965   -5.692347     6    85
    90  H      7.910713    3.837685   -7.032318     6    85
    91  N      6.007053    2.183231   -5.942887   230    86    92    93
    92  C      4.720920    1.638748   -5.730449   232    91    94    95    96
    93  HN     6.168355    2.895988   -5.225869   231    91
    94  H      4.791705    0.771174   -5.009506   233    92
    95  H      4.168029    1.359831   -6.696930   233    92
    96  H      4.009390    2.317676   -5.254781   233    92
96 12_Glycine
     1  C      4.224520    8.717016   11.177927   224     2     4     5     6
     2  C      5.156706    9.802168   10.751609   226     1     3     7
     3  O      5.416287    9.964590    9.486496   227     2
     4  H      3.234036    8.672495   10.740258   225     1
     5  H      4.139092    8.657578   12.320540   225     1
     6  H      4.675489    7.770397   10.989741   225     1
     7  N      5.672665   10.612579   11.709638     1     2     8    11
     8  CA     6.676385   11.636976   11.440968     2     7     9    12    13
     9  C      5.981800   13.033758   11.762067     3     8    10    14
    10  O      4.763058   13.148368   11.871452     5     9
    11  HN     5.481950   10.360785   12.678549     4     7
    12  H      7.591584   11.454510   12.052737     6     8
    13  H      7.002103   11.764978   10.382722     6     8
    14  N      6.827134   14.072432   12.116706     1     9    15    18
    15  CA     6.609065   15.378832   12.637992     2    14    16    19    20
    16  C      7.182795   15.616138   13.979160     3    15    17    21
    17  O      7.533902   14.731932   14.730502     5    16
    18  HN     7.871102   13.872803   12.016584     4    14
    19  H      7.132783   16.081477   11.901758     6    15
    20  H      5.487957   15.548116   12.618995     6    15
    21  N      7.277518   16.884432   14.350245     1    16    22    25
    22  CA     7.758354   17.443965   15.570169     2    21    23    26    27
    23  C      8.749012   18.578947   15.456932     3    22    24    28
    24  O      9.082515   19.166486   16.522497     5    23
    25  HN     6.972458   17.627773   13.665477     4    21
    26  H      6.996707   17.927556   16.151919     6    22
    27  H      8.200029   16.588595   16.147698     6    22
    28  N      9.317598   18.818659   14.207664     1    23    29    32
    29  CA    10.319664   19.816546   13.930107     2    28    30    33    34
    30  C     11.080916   19.582015   12.657783     3    29    31    35
    31  O     11.438727   18.408689   12.352233     5    30
    32  HN     9.055861   18.239392   13.392768     4    28
    33  H      9.728754   20.781527   13.847925     6    29
    34  H     11.068146   19.852748   14.794925     6    29
    35  N     11.467951   20.680145   12.009393     1    30    36    39
    36  CA    12.009180   20.767700   10.714198     2    35    37    40    41
    37  C     11.150766   20.355320    9.508839     3    36    38    42
    38  O     10.227251   19.482175    9.622608     5    37
    39  HN    11.363183   21.614726   12.414722     4    35
    40  H     12.376108   21.770069   10.572507     6    36
    41  H     12.979337   20.171057   10.716219     6    36
    42  N     11.549691   20.869198    8.290869     1    37    43    46
    43  CA    10.823993   20.610793    7.058552     2    42    44    47    48
    44  C     11.091009   21.630127    6.031156     3    43    45    49
    45  O     10.914454   22.854439    6.286003     5    44
    46  HN    12.420406   21.425305    8.165123     4    42
    47  H     11.152233   19.596958    6.709564     6    43
    48  H      9.686626   20.562875    7.193924     6    43
    49  N     11.615413   21.234974    4.887927     1    44    50    53
    50  CA    11.975484   22.125527    3.815679     2    49    51    54    55
    51  C     12.208934   21.443419    2.392795     3    50    52    56
    52  O     12.646095   22.068280    1.425322     5    51
    53  HN    11.807537   20.238650    4.746319     4    49
    54  H     11.221350   22.924270    3.876841     6    50
    55  H     13.015707   22.484043    4.054669     6    50
    56  N     11.767398   20.192565    2.168981     1    51    57    60
    57  CA    11.942014   19.536883    0.860441     2    56    58    61    62
    58  C     10.628040   19.553443   -0.022133     3    57    59    63
    59  O      9.771643   20.426185   -0.025321     5    58
    60  HN    11.356094   19.606821    2.875368     4    56
    61  H     12.747926   19.977874    0.212956     6    57
    62  H     12.159137   18.474650    0.949842     6    57
    63  N     10.656592   18.678722   -1.065205     1    58    64    67
    64  CA     9.589692   18.457052   -2.044563     2    63    65    68    69
    65  C      8.696825   17.314533   -1.646377     3    64    66    70
    66  O      9.117548   16.448857   -0.880195     5    65
    67  HN    11.324447   18.002085   -1.240478     4    63
    68  H      8.986797   19.395162   -2.133874     6    64
    69  H     10.080848   18.170853   -3.015475     6    64
    70  N      7.460894   17.259382   -2.131705     1    65    71    74
    71  CA     6.478401   16.302877   -1.713719     2    70    72    75    76
    72  C      5.822966   15.518979   -2.912624     3    71    73    77
    73  O      4.890523   14.758794   -2.724470     5    72
    74  HN     7.208740   18.015623   -2.742462     4    70
    75  H      6.947115   15.514742   -1.109117     6    71
    76  H      5.678992   16.872033   -1.192145     6    71
    77  N      6.396869   15.587158   -4.217091     1    72    78    81
    78  CA     6.008880   14.772731   -5.345463     2    77    79    82    83
    79  C      6.927154   13.506141   -5.586096     3    78    80    84
    80  O      6.446541   12.576492   -6.190834     5    79
    81  HN     7.188552   16.275156   -4.310451     4    77
    82  H      4.921856   14.411883   -5.063628     6    78
    83  H      5.886404   15.416307   -6.272427     6    78
    84  N      8.191994   13.523726   -5.130993     1    79    85    88
    85  CA     9.161237   12.410962   -5.198575     2    84    86    89    90
    86  C      9.406881   11.857570   -6.594193     3    85    87    91
    87  O      9.291191   12.537684   -7.654737     5    86
    88  HN     8.589566   14.312247   -4.569789     4    84
    89  H     10.137547   12.850304   -4.933670     6    85
    90  H      8.890896   11.669878   -4.342835     6    85
    91  N      9.775743   10.588644   -6.603040   230    86    92    93
    92  C      9.928607    9.769923   -7.777936   232    91    94    95    96
    93  HN    10.228403   10.152502   -5.787780   231    91
    94  H     10.296338   10.471036   -8.602522   233    92
    95  H      8.954301    9.343477   -8.174515   233    92
    96  H     10.596311    8.902775   -7.688099   233    92
96 12_Glycine
     1  C     -5.174200    4.192916   11.317489   224     2     4     5     6
     2  C     -5.415710    5.172367   12.467443   226     1     3     7
     3  O     -4.667240    5.168887   13.433574   227     2
     4  H     -4.625669    3.273344   11.736107   225     1
     5  H     -4.497742    4.607063   10.554695   225     1
     6  H     -6.209246    3.868171   10.899763   225     1
     7  N     -6.419142    6.054785   12.261441     1     2     8    11
     8  CA    -6.647424    7.155878   13.141873     2     7     9    12    13
     9  C     -6.014334    8.450002   12.523425     3     8    10    14
    10  O     -5.487041    8.399517   11.432969     5     9
    11  HN    -7.038091    6.004332   11.418732     4     7
    12  H     -7.709674    7.301304   13.256412     6     8
    13  H     -6.239941    6.955665   14.120742     6     8
    14  N     -6.329740    9.610749   13.151513     1     9    15    18
    15  CA    -5.783414   10.900694   12.802287     2    14    16    19    20
    16  C     -6.660285   12.079052   13.217719     3    15    17    21
    17  O     -7.938809   12.044166   13.214676     5    16
    18  HN    -6.596695    9.621820   14.164870     4    14
    19  H     -4.761889   11.102543   13.259045     6    15
    20  H     -5.689296   11.005855   11.701136     6    15
    21  N     -5.978298   13.209671   13.662781     1    16    22    25
    22  CA    -6.501019   14.492158   13.994336     2    21    23    26    27
    23  C     -6.664978   14.666523   15.512561     3    22    24    28
    24  O     -6.972606   13.702083   16.233145     5    23
    25  HN    -4.921197   13.247914   13.880589     4    21
    26  H     -5.783119   15.269262   13.649710     6    22
    27  H     -7.457518   14.802171   13.526755     6    22
    28  N     -6.618008   15.955768   15.953898     1    23    29    32
    29  CA    -7.116683   16.442658   17.274749     2    28    30    33    34
    30  C     -8.233196   17.378653   16.973798     3    29    31    35
    31  O     -8.902407   17.232567   15.923918     5    30
    32  HN    -6.430039   16.753564   15.254469     4    28
    33  H     -7.350054   15.590635   17.961448     6    29
    34  H     -6.259607   17.007498   17.768395     6    29
    35  N     -8.506110   18.304398   17.901408     1    30    36    39
    36  CA    -9.633648   19.220750   17.691954     2    35    37    40    41
    37  C    -10.977246   18.490301   17.615641     3    36    38    42
    38  O    -11.311416   17.686759   18.485800     5    37
    39  HN    -7.911376   18.439718   18.689787     4    35
    40  H     -9.604996   19.998364   18.459738     6    36
    41  H     -9.499187   19.860028   16.794215     6    36
    42  N    -11.797247   18.783392   16.622620     1    37    43    46
    43  CA   -13.197952   18.189195   16.486970     2    42    44    47    48
    44  C    -14.220149   18.998081   15.669795     3    43    45    49
    45  O    -15.184235   18.444549   15.172167     5    44
    46  HN   -11.449603   19.328304   15.829828     4    42
    47  H    -13.165232   17.123211   16.117964     6    43
    48  H    -13.625965   18.048150   17.505088     6    43
    49  N    -13.979861   20.275271   15.484131     1    44    50    53
    50  CA   -14.802140   21.205656   14.766677     2    49    51    54    55
    51  C    -14.216796   22.507131   14.330155     3    50    52    56
    52  O    -13.059765   22.584153   13.873616     5    51
    53  HN   -13.265324   20.784625   15.997445     4    49
    54  H    -15.017280   20.683586   13.826616     6    50
    55  H    -15.672721   21.422473   15.467518     6    50
    56  N    -15.033808   23.579175   14.286040     1    51    57    60
    57  CA   -14.626272   24.879085   13.766564     2    56    58    61    62
    58  C    -14.340755   24.758584   12.270291     3    57    59    63
    59  O    -15.340666   24.486779   11.556804     5    58
    60  HN   -15.861870   23.694401   14.885741     4    56
    61  H    -15.347725   25.667126   14.063122     6    57
    62  H    -13.713419   25.108477   14.303820     6    57
    63  N    -13.226848   25.220177   11.761902     1    58    64    67
    64  CA   -12.982710   25.188755   10.328507     2    63    65    68    69
    65  C    -12.412574   26.476478    9.611236     3    64    66    70
    66  O    -12.636060   27.591372   10.043726     5    65
    67  HN   -12.498028   25.641754   12.337639     4    63
    68  H    -12.167463   24.378619   10.189729     6    64
    69  H    -13.943730   24.822639    9.775175     6    64
    70  N    -11.822475   26.255002    8.440846     1    65    71    74
    71  CA   -11.531929   27.171954    7.432588     2    70    72    75    76
    72  C    -12.282024   27.147830    6.183473     3    71    73    77
    73  O    -12.165671   28.038624    5.354649     5    72
    74  HN   -11.656590   25.269340    8.168465     4    70
    75  H    -11.662845   28.208691    7.771871     6    71
    76  H    -10.381423   27.125582    7.179928     6    71
    77  N    -13.281893   26.204544    6.075605     1    72    78    81
    78  CA   -14.115064   25.934013    4.905518     2    77    79    82    83
    79  C    -13.497233   25.283098    3.716432     3    78    80    84
    80  O    -12.342219   25.413934    3.420834     5    79
    81  HN   -13.599708   25.547226    6.795753     4    77
    82  H    -14.975577   25.228635    5.299003     6    78
    83  H    -14.690557   26.862660    4.591892     6    78
    84  N    -14.355313   24.496754    2.951439     1    79    85    88
    85  CA   -14.071449   23.659078    1.758055     2    84    86    89    90
    86  C    -15.144168   23.548737    0.659903     3    85    87    91
    87  O    -15.476290   22.430420    0.207485     5    86
    88  HN   -15.313820   24.384747    3.336664     4    84
    89  H    -13.075778   23.906882    1.306897     6    85
    90  H    -13.862206   22.630330    2.063347     6    85
    91  N    -15.696785   24.728521    0.349284   230    86    92    93
    92  C    -16.917874   24.827339   -0.401383   232    91    94    95    96
    93  HN   -15.243991   25.626232    0.646073   231    91
    94  H    -17.330126   25.810459   -0.111227   233    92
    95  H    -17.664236   24.073481   -0.160046   233    92
    96  H    -16.731399   24.830762   -1.513045   233    92
96 12_Glycine
     1  C      2.173857   16.770002   17.080820   224     2     4     5     6
     2  C      1.639297   16.397770   15.742789   226     1     3     7
     3  O      1.937113   15.300308   15.269108   227     2
     4  H      1.441100   16.409521   17.796343   225     1
     5  H      2.336753   17.899513   17.360494   225     1
     6  H      3.200772   16.427302   17.245575   225     1
     7  N      1.066394   17.354830   15.010645     1     2     8    11
     8  CA     0.366533   17.276435   13.826425     2     7     9    12    13
     9  C      0.199874   18.553348   13.026246     3     8    10    14
    10  O      0.953815   19.537260   13.215240     5     9
    11  HN     0.828569   18.221061   15.468367     4     7
    12  H      0.926038   16.729163   13.118468     6     8
    13  H     -0.561451   16.665119   13.846315     6     8
    14  N     -0.853993   18.706297   12.206200     1     9    15    18
    15  CA    -1.163483   19.812201   11.269647     2    14    16    19    20
    16  C     -2.533206   19.610984   10.665902     3    15    17    21
    17  O     -3.528413   19.452750   11.416224     5    16
    18  HN    -1.563671   17.922440   12.147388     4    14
    19  H     -1.220847   20.696890   11.874265     6    15
    20  H     -0.384118   19.976260   10.534370     6    15
    21  N     -2.607487   19.513620    9.316741     1    16    22    25
    22  CA    -3.865287   19.371884    8.584881     2    21    23    26    27
    23  C     -3.523040   18.585368    7.286871     3    22    24    28
    24  O     -2.587339   17.783967    7.168397     5    23
    25  HN    -1.781508   19.675300    8.808840     4    21
    26  H     -4.638266   18.834040    9.156542     6    22
    27  H     -4.315413   20.401021    8.428579     6    22
    28  N     -4.377146   18.755062    6.256015     1    23    29    32
    29  CA    -4.109187   18.291791    4.900827     2    28    30    33    34
    30  C     -2.954156   18.970435    4.317777     3    29    31    35
    31  O     -2.472279   20.014582    4.827869     5    30
    32  HN    -5.094059   19.626744    6.263250     4    28
    33  H     -3.931533   17.221726    4.879289     6    29
    34  H     -5.061011   18.417472    4.288138     6    29
    35  N     -2.527294   18.485740    3.114455     1    30    36    39
    36  CA    -1.214330   18.618010    2.503425     2    35    37    40    41
    37  C     -0.184198   17.611209    3.158484     3    36    38    42
    38  O     -0.298592   17.464018    4.371808     5    37
    39  HN    -3.143686   17.814378    2.611797     4    35
    40  H     -1.250052   18.345590    1.375464     6    36
    41  H     -0.784876   19.663166    2.455773     6    36
    42  N      0.786860   17.148148    2.349804     1    37    43    46
    43  CA     2.011595   16.399867    2.746988     2    42    44    47    48
    44  C      2.448077   15.178632    1.930429     3    43    45    49
    45  O      3.542486   14.616820    2.150332     5    44
    46  HN     0.756201   17.426306    1.350936     4    42
    47  H      2.812676   17.157544    2.898932     6    43
    48  H      1.823429   16.054604    3.771410     6    43
    49  N      1.479640   14.744654    1.017306     1    44    50    53
    50  CA     1.457403   13.463930    0.291396     2    49    51    54    55
    51  C      0.429869   12.492630    0.823378     3    50    52    56
    52  O      0.140683   12.449315    2.036098     5    51
    53  HN     0.606574   15.282464    0.801077     4    49
    54  H      1.160217   13.775303   -0.734402     6    50
    55  H      2.474310   13.007024    0.212958     6    50
    56  N     -0.041168   11.555370   -0.092524     1    51    57    60
    57  CA    -1.143098   10.649868    0.229406     2    56    58    61    62
    58  C     -2.045127   10.304928   -0.930904     3    57    59    63
    59  O     -3.104599   10.905252   -1.060883     5    58
    60  HN     0.313601   11.594798   -1.067937     4    56
    61  H     -0.733025    9.711672    0.745328     6    57
    62  H     -1.743231   11.205965    0.955162     6    57
    63  N     -1.514455    9.506148   -1.866965     1    58    64    67
    64  CA    -2.219792    9.277344   -3.092729     2    63    65    68    69
    65  C     -1.810266    8.082722   -3.914128     3    64    66    70
    66  O     -2.191986    7.964733   -5.111985     5    65
    67  HN    -0.489190    9.317101   -1.864947     4    63
    68  H     -3.286956    9.115245   -2.785731     6    64
    69  H     -2.226074   10.162354   -3.699809     6    64
    70  N     -1.024181    7.179010   -3.330260     1    65    71    74
    71  CA    -0.461491    5.928933   -3.823104     2    70    72    75    76
    72  C     -1.492544    4.820725   -3.866563     3    71    73    77
    73  O     -2.635004    4.999451   -3.443010     5    72
    74  HN    -0.619289    7.336823   -2.356623     4    70
    75  H     -0.104953    6.037254   -4.936342     6    71
    76  H      0.410018    5.647521   -3.147386     6    71
    77  N     -1.035403    3.603319   -4.369408     1    72    78    81
    78  CA    -1.680900    2.285908   -4.593911     2    77    79    82    83
    79  C     -2.637889    2.392162   -5.747618     3    78    80    84
    80  O     -2.256906    2.910193   -6.805784     5    79
    81  HN     0.001069    3.465980   -4.288305     4    77
    82  H     -0.894603    1.548753   -4.679148     6    78
    83  H     -2.232456    2.035651   -3.569661     6    78
    84  N     -3.834191    1.715509   -5.598436     1    79    85    88
    85  CA    -4.880842    1.513188   -6.653764     2    84    86    89    90
    86  C     -5.758229    0.451480   -6.216568     3    85    87    91
    87  O     -5.432906   -0.588999   -5.603146     5    86
    88  HN    -3.981232    1.052450   -4.814869     4    84
    89  H     -5.387059    2.474661   -6.749388     6    85
    90  H     -4.475788    1.162244   -7.626405     6    85
    91  N     -7.005399    0.561157   -6.671389   230    86    92    93
    92  C     -8.080932   -0.330206   -6.578799   232    91    94    95    96
    93  HN    -7.294985    1.423240   -7.236030   231    91
    94  H     -8.844682    0.029509   -7.305163   233    92
    95  H     -8.550355   -0.321590   -5.547162   233    92
    96  H     -7.794275   -1.323651   -6.869741   233    92
96 12_Glycine
     1  C     -2.291008   -9.763148   16.651503   224     2     4     5     6
     2  C     -1.759282  -10.683946   15.552474   226     1     3     7
     3  O     -0.588067  -11.200403   15.742657   227     2
     4  H     -2.544254   -8.738545   16.221171   225     1
     5  H     -1.500858   -9.652022   17.408135   225     1
     6  H     -3.231177  -10.228426   17.139189   225     1
     7  N     -2.552836  -10.902611   14.522676     1     2     8    11
     8  CA    -2.235777  -11.619691   13.287721     2     7     9    12    13
     9  C     -3.472602  -12.515791   12.972364     3     8    10    14
    10  O     -4.577383  -11.997122   12.663713     5     9
    11  HN    -3.403532  -10.363277   14.279470     4     7
    12  H     -2.087595  -10.937846   12.417082     6     8
    13  H     -1.302259  -12.134474   13.409810     6     8
    14  N     -3.299058  -13.855021   12.894200     1     9    15    18
    15  CA    -4.303681  -14.852519   12.769089     2    14    16    19    20
    16  C     -3.999826  -16.213301   13.557233     3    15    17    21
    17  O     -3.744986  -16.141077   14.795626     5    16
    18  HN    -2.356837  -14.200886   13.034946     4    14
    19  H     -5.288178  -14.399082   13.177514     6    15
    20  H     -4.292279  -15.088224   11.701808     6    15
    21  N     -4.179602  -17.348261   12.905475     1    16    22    25
    22  CA    -4.213553  -18.675236   13.504450     2    21    23    26    27
    23  C     -5.441913  -19.456398   13.071647     3    22    24    28
    24  O     -6.419386  -18.824031   12.738628     5    23
    25  HN    -4.447767  -17.379759   11.920388     4    21
    26  H     -3.239324  -19.169567   13.363083     6    22
    27  H     -4.300977  -18.585802   14.606545     6    22
    28  N     -5.373018  -20.802225   13.147097     1    23    29    32
    29  CA    -6.524665  -21.616306   12.891415     2    28    30    33    34
    30  C     -6.578634  -22.172956   11.452844     3    29    31    35
    31  O     -5.743866  -21.992604   10.534283     5    30
    32  HN    -4.427985  -21.272108   13.241344     4    28
    33  H     -6.422294  -22.525930   13.563423     6    29
    34  H     -7.428196  -21.095688   13.181108     6    29
    35  N     -7.665448  -22.935259   11.186248     1    30    36    39
    36  CA    -7.759197  -23.593556    9.905897     2    35    37    40    41
    37  C     -9.000511  -23.231710    9.149232     3    36    38    42
    38  O     -9.848313  -22.461320    9.661612     5    37
    39  HN    -8.413200  -23.110069   11.834752     4    35
    40  H     -6.824830  -23.375053    9.341602     6    36
    41  H     -7.760470  -24.743630   10.066000     6    36
    42  N     -9.161681  -23.902222    7.956981     1    37    43    46
    43  CA   -10.297714  -23.896406    6.971024     2    42    44    47    48
    44  C    -10.934799  -22.541057    6.648462     3    43    45    49
    45  O    -10.199219  -21.618695    6.337221     5    44
    46  HN    -8.421445  -24.597200    7.736834     4    42
    47  H     -9.998835  -24.228568    6.008696     6    43
    48  H    -11.029888  -24.616550    7.195763     6    43
    49  N    -12.305262  -22.529803    6.463054     1    44    50    53
    50  CA   -13.136423  -21.471534    6.002112     2    49    51    54    55
    51  C    -14.388553  -21.887340    5.196732     3    50    52    56
    52  O    -14.353888  -22.969993    4.584410     5    51
    53  HN   -12.968710  -23.322636    6.834354     4    49
    54  H    -13.638314  -20.962332    6.875021     6    50
    55  H    -12.507921  -20.769766    5.443911     6    50
    56  N    -15.416638  -20.994288    5.268514     1    51    57    60
    57  CA   -16.649783  -21.212750    4.580665     2    56    58    61    62
    58  C    -18.039703  -21.017018    5.298417     3    57    59    63
    59  O    -19.117242  -21.022709    4.649178     5    58
    60  HN   -15.339292  -20.125097    5.794911     4    56
    61  H    -16.717529  -20.436931    3.694685     6    57
    62  H    -16.641377  -22.267943    4.118769     6    57
    63  N    -17.938612  -20.953560    6.630011     1    58    64    67
    64  CA   -19.132323  -20.674090    7.498358     2    63    65    68    69
    65  C    -19.164334  -19.294570    8.143355     3    64    66    70
    66  O    -18.180197  -18.565073    8.234873     5    65
    67  HN   -17.060936  -20.985634    7.228469     4    63
    68  H    -19.964418  -20.826433    6.838179     6    64
    69  H    -19.132305  -21.471325    8.314336     6    64
    70  N    -20.391376  -19.047988    8.698219     1    65    71    74
    71  CA   -20.733920  -17.792238    9.336685     2    70    72    75    76
    72  C    -20.891301  -16.663581    8.427093     3    71    73    77
    73  O    -20.930261  -16.889554    7.214920     5    72
    74  HN   -21.177019  -19.733106    8.523449     4    70
    75  H    -21.781433  -18.058193    9.780294     6    71
    76  H    -20.022602  -17.531855   10.113913     6    71
    77  N    -20.893726  -15.390517    8.843747     1    72    78    81
    78  CA   -20.803917  -14.179522    7.980946     2    77    79    82    83
    79  C    -21.425674  -12.895271    8.599529     3    78    80    84
    80  O    -21.203827  -11.809671    8.121980     5    79
    81  HN   -21.032568  -15.186294    9.821247     4    77
    82  H    -19.759725  -13.988100    7.819436     6    78
    83  H    -21.266150  -14.303656    6.937165     6    78
    84  N    -22.314938  -13.136298    9.595646     1    79    85    88
    85  CA   -23.009502  -12.157515   10.423581     2    84    86    89    90
    86  C    -22.298107  -11.828287   11.756858     3    85    87    91
    87  O    -21.253351  -12.387467   12.078606     5    86
    88  HN   -22.603987  -14.082746    9.814758     4    84
    89  H    -23.139444  -11.204819    9.868605     6    85
    90  H    -24.045929  -12.491911   10.666981     6    85
    91  N    -22.914253  -11.003053   12.594920   230    86    92    93
    92  C    -22.432448  -10.526053   13.922670   232    91    94    95    96
    93  HN   -23.929884  -10.941828   12.505244   231    91
    94  H    -22.357223  -11.231244   14.789216   233    92
    95  H    -23.159955   -9.659809   14.159205   233    92
    96  H    -21.465340  -10.037223   13.800125   233    92
96 12_Glycine
     1  C      6.626860   -7.108110  -20.270122   224     2     4     5     6
     2  C      5.980972   -8.113716  -21.174281   226     1     3     7
     3  O      6.669936   -8.995023  -21.797316   227     2
     4  H      6.111826   -7.019345  -19.277081   225     1
     5  H      6.510561   -6.189368  -20.777301   225     1
     6  H      7.714450   -7.342539  -20.146303   225     1
     7  N      4.597195   -7.973192  -21.212157     1     2     8    11
     8  CA     3.636224   -8.787413  -21.923650     2     7     9    12    13
     9  C      3.703711   -8.473659  -23.340544     3     8    10    14
    10  O      4.264294   -7.450913  -23.794341     5     9
    11  HN     4.190258   -7.122872  -20.840658     4     7
    12  H      3.884181   -9.853675  -21.679834     6     8
    13  H      2.620844   -8.570348  -21.511428     6     8
    14  N      3.040634   -9.378730  -24.091827     1     9    15    18
    15  CA     2.945549   -9.350485  -25.530638     2    14    16    19    20
    16  C      3.457084  -10.551582  -26.286532     3    15    17    21
    17  O      3.380426  -10.534940  -27.509468     5    16
    18  HN     2.581411  -10.180048  -23.581774     4    14
    19  H      1.881466   -9.306558  -25.821878     6    15
    20  H      3.441987   -8.473533  -26.066764     6    15
    21  N      3.981977  -11.598382  -25.607954     1    16    22    25
    22  CA     4.582901  -12.803276  -26.168678     2    21    23    26    27
    23  C      5.054429  -13.766598  -25.135217     3    22    24    28
    24  O      4.314056  -14.233080  -24.251404     5    23
    25  HN     4.379763  -11.497808  -24.620393     4    21
    26  H      3.900520  -13.274275  -26.843894     6    22
    27  H      5.445786  -12.604816  -26.761942     6    22
    28  N      6.334191  -14.154879  -25.152963     1    23    29    32
    29  CA     6.850890  -15.330226  -24.442564     2    28    30    33    34
    30  C      6.983606  -15.023825  -22.961150     3    29    31    35
    31  O      7.095730  -13.868198  -22.484695     5    30
    32  HN     6.947330  -13.767996  -25.929110     4    28
    33  H      6.101759  -16.132371  -24.638072     6    29
    34  H      7.859398  -15.703849  -24.899965     6    29
    35  N      6.995306  -16.119333  -22.143778     1    30    36    39
    36  CA     7.014715  -16.060754  -20.692006     2    35    37    40    41
    37  C      5.646610  -15.623506  -20.117501     3    36    38    42
    38  O      4.665588  -15.942165  -20.722582     5    37
    39  HN     7.208922  -16.983385  -22.512279     4    35
    40  H      7.197501  -17.053815  -20.308158     6    36
    41  H      7.794852  -15.361728  -20.322600     6    36
    42  N      5.641245  -14.970922  -18.937310     1    37    43    46
    43  CA     4.488850  -14.598214  -18.156174     2    42    44    47    48
    44  C      4.654881  -13.369038  -17.208963     3    43    45    49
    45  O      3.713764  -13.002778  -16.524070     5    44
    46  HN     6.544892  -14.696885  -18.566549     4    42
    47  H      3.650591  -14.367113  -18.850478     6    43
    48  H      4.102311  -15.455326  -17.589050     6    43
    49  N      5.839644  -12.744554  -17.237291     1    44    50    53
    50  CA     6.134178  -11.472836  -16.580067     2    49    51    54    55
    51  C      5.630758  -10.290177  -17.421340     3    50    52    56
    52  O      5.926632  -10.238848  -18.634647     5    51
    53  HN     6.547620  -12.957636  -17.940422     4    49
    54  H      5.726120  -11.399274  -15.583615     6    50
    55  H      7.248655  -11.296628  -16.451441     6    50
    56  N      4.638889   -9.573489  -16.834210     1    51    57    60
    57  CA     4.013497   -8.423810  -17.386920     2    56    58    61    62
    58  C      4.265447   -7.072126  -16.728711     3    57    59    63
    59  O      3.674962   -6.060287  -17.116970     5    58
    60  HN     4.157845   -9.755067  -15.919458     4    56
    61  H      4.214062   -8.413196  -18.539390     6    57
    62  H      2.896797   -8.458553  -17.449402     6    57
    63  N      5.255626   -7.025525  -15.749794     1    58    64    67
    64  CA     5.698240   -5.856637  -15.008776     2    63    65    68    69
    65  C      4.967871   -5.846507  -13.668836     3    64    66    70
    66  O      3.824927   -6.329684  -13.477574     5    65
    67  HN     5.767305   -7.858565  -15.602873     4    63
    68  H      6.781635   -5.895341  -14.942533     6    64
    69  H      5.538418   -4.909607  -15.484134     6    64
    70  N      5.668079   -5.266269  -12.643033     1    65    71    74
    71  CA     5.180095   -5.186241  -11.333335     2    70    72    75    76
    72  C      4.595291   -3.730550  -11.061535     3    71    73    77
    73  O      4.609616   -2.879244  -11.935459     5    72
    74  HN     6.584556   -4.781080  -12.734360     4    70
    75  H      4.394336   -5.857572  -11.092675     6    71
    76  H      6.028131   -5.423516  -10.653098     6    71
    77  N      4.207920   -3.553511   -9.820687     1    72    78    81
    78  CA     3.613810   -2.328345   -9.382661     2    77    79    82    83
    79  C      2.109934   -2.327807   -9.666393     3    78    80    84
    80  O      1.601518   -3.297805  -10.194910     5    79
    81  HN     4.318207   -4.235284   -9.068881     4    77
    82  H      3.790818   -2.285808   -8.327407     6    78
    83  H      4.168790   -1.434617   -9.692815     6    78
    84  N      1.369634   -1.273689   -9.297562     1    79    85    88
    85  CA    -0.062909   -1.094429   -9.517087     2    84    86    89    90
    86  C     -0.479665   -0.857832  -10.921571     3    85    87    91
    87  O      0.344021   -0.741633  -11.903556     5    86
    88  HN     1.839045   -0.452374   -8.934482     4    84
    89  H     -0.607366   -1.875911   -8.976333     6    85
    90  H     -0.391385   -0.080546   -9.081318     6    85
    91  N     -1.767137   -0.736136  -11.047536   230    86    92    93
    92  C     -2.553301   -0.617055  -12.265794   232    91    94    95    96
    93  HN    -2.433640   -0.917689  -10.262860   231    91
    94  H     -1.872920   -0.333647  -13.157544   233    92
    95  H     -3.219043    0.238763  -12.192754   233    92
    96  H     -3.011238   -1.610836  -12.540718   233    92
96 12_Glycine
     1  C      7.153199  -21.931358   11.844127   224     2     4     5     6
     2  C      6.119145  -22.380160   10.830786   226     1     3     7
     3  O      5.604757  -23.504999   11.045286   227     2
     4  H      7.558681  -22.879341   12.357844   225     1
     5  H      6.786885  -21.268424   12.621708   225     1
     6  H      8.094814  -21.444327   11.419300   225     1
     7  N      5.797380  -21.469419    9.899835     1     2     8    11
     8  CA     4.824610  -21.897342    8.885498     2     7     9    12    13
     9  C      4.509694  -20.813733    7.935189     3     8    10    14
    10  O      4.578008  -19.569077    8.211801     5     9
    11  HN     6.167717  -20.490748    9.830127     4     7
    12  H      5.349598  -22.697814    8.391425     6     8
    13  H      3.883005  -22.430100    9.267166     6     8
    14  N      4.525024  -21.275127    6.647108     1     9    15    18
    15  CA     4.694303  -20.381641    5.502332     2    14    16    19    20
    16  C      5.905087  -20.755230    4.578018     3    15    17    21
    17  O      6.200319  -20.167598    3.487121     5    16
    18  HN     4.381408  -22.310697    6.409512     4    14
    19  H      3.733669  -20.303805    4.955437     6    15
    20  H      4.997310  -19.412864    5.930038     6    15
    21  N      6.578783  -21.941871    4.886146     1    16    22    25
    22  CA     7.808460  -22.424913    4.357423     2    21    23    26    27
    23  C      8.936487  -22.058380    5.225461     3    22    24    28
    24  O      9.626356  -21.117489    4.850510     5    23
    25  HN     6.126189  -22.603638    5.501657     4    21
    26  H      7.729386  -23.581640    4.253873     6    22
    27  H      7.955789  -21.949364    3.341031     6    22
    28  N      9.387838  -22.973960    6.177212     1    23    29    32
    29  CA    10.526236  -22.750253    7.006259     2    28    30    33    34
    30  C     10.122486  -21.779125    8.156919     3    29    31    35
    31  O      9.303704  -20.871921    8.072081     5    30
    32  HN     8.860945  -23.875850    6.270562     4    28
    33  H     10.820496  -23.719153    7.489868     6    29
    34  H     11.421583  -22.369897    6.516272     6    29
    35  N     10.855569  -21.915986    9.309885     1    30    36    39
    36  CA    10.726056  -21.056640   10.475662     2    35    37    40    41
    37  C     11.872807  -20.105980   10.769092     3    36    38    42
    38  O     12.982589  -20.259642   10.239864     5    37
    39  HN    11.719853  -22.498140    9.335795     4    35
    40  H      9.808891  -20.379334   10.309814     6    36
    41  H     10.569637  -21.701696   11.360210     6    36
    42  N     11.715980  -19.227088   11.743716     1    37    43    46
    43  CA    12.820584  -18.382178   12.271585     2    42    44    47    48
    44  C     13.048802  -17.073907   11.478121     3    43    45    49
    45  O     12.969882  -16.989025   10.245519     5    44
    46  HN    10.799008  -19.110066   12.226741     4    42
    47  H     12.593895  -18.055121   13.307079     6    43
    48  H     13.756577  -18.955023   12.270529     6    43
    49  N     13.536701  -16.062417   12.215591     1    44    50    53
    50  CA    13.793764  -14.709462   11.723099     2    49    51    54    55
    51  C     13.233654  -13.673040   12.681592     3    50    52    56
    52  O     12.383210  -14.022538   13.526730     5    51
    53  HN    13.768405  -16.182493   13.200106     4    49
    54  H     14.868378  -14.562450   11.775172     6    50
    55  H     13.371556  -14.551360   10.636463     6    50
    56  N     13.440597  -12.394307   12.334943     1    51    57    60
    57  CA    12.734553  -11.249466   12.912230     2    56    58    61    62
    58  C     13.264394  -10.804016   14.261600     3    57    59    63
    59  O     14.037594  -11.562104   14.863295     5    58
    60  HN    14.279377  -12.130639   11.797787     4    56
    61  H     12.820646  -10.469774   12.188274     6    57
    62  H     11.668098  -11.278156   13.064755     6    57
    63  N     12.810419   -9.641096   14.763034     1    58    64    67
    64  CA    13.103655   -9.123433   16.081549     2    63    65    68    69
    65  C     14.024042   -7.904639   15.836856     3    64    66    70
    66  O     14.679639   -7.747738   14.831644     5    65
    67  HN    12.251432   -8.980030   14.120792     4    63
    68  H     12.147210   -8.887268   16.581042     6    64
    69  H     13.648288   -9.733819   16.820601     6    64
    70  N     14.032576   -6.987564   16.865845     1    65    71    74
    71  CA    14.983741   -5.830384   16.913556     2    70    72    75    76
    72  C     14.593845   -4.918522   18.130495     3    71    73    77
    73  O     13.990886   -5.348049   19.108951     5    72
    74  HN    13.365925   -7.049161   17.666726     4    70
    75  H     16.059533   -6.192727   17.105081     6    71
    76  H     14.942217   -5.216670   16.019810     6    71
    77  N     15.005394   -3.651088   17.976464     1    72    78    81
    78  CA    14.677361   -2.530099   18.808304     2    77    79    82    83
    79  C     15.854479   -2.026397   19.632771     3    78    80    84
    80  O     15.779199   -0.847098   20.182857     5    79
    81  HN    15.761767   -3.319375   17.276817     4    77
    82  H     14.395455   -1.650160   18.177541     6    78
    83  H     13.792772   -2.715880   19.469081     6    78
    84  N     17.026237   -2.691222   19.598271     1    79    85    88
    85  CA    18.276651   -2.330939   20.258329     2    84    86    89    90
    86  C     19.169309   -1.300375   19.499203     3    85    87    91
    87  O     18.975977   -1.078900   18.314230     5    86
    88  HN    17.134052   -3.519309   18.996087     4    84
    89  H     17.980178   -1.794413   21.219025     6    85
    90  H     18.854051   -3.333691   20.439193     6    85
    91  N     20.160448   -0.706704   20.278717   230    86    92    93
    92  C     21.082757    0.365514   19.911047   232    91    94    95    96
    93  HN    20.319679   -1.073846   21.283026   231    91
    94  H     20.526692    1.308146   19.821868   233    92
    95  H     21.637415    0.218018   18.933496   233    92
    96  H     21.872165    0.463171   20.677738   233    92
96 12_Glycine
     1  C     20.039385   11.514915   -1.805773   224     2     4     5     6
     2  C     19.006042   11.470319   -0.682094   226     1     3     7
     3  O     19.409950   11.455898    0.469777   227     2
     4  H     20.524256   12.558117   -1.749566   225     1
     5  H     19.713104   11.164009   -2.807075   225     1
     6  H     20.767292   10.739581   -1.541659   225     1
     7  N     17.667170   11.505001   -0.963449     1     2     8    11
     8  CA    16.671752   11.550503    0.049998     2     7     9    12    13
     9  C     15.274818   11.550714   -0.598112     3     8    10    14
    10  O     15.011750   12.420187   -1.470445     5     9
    11  HN    17.340624   11.532944   -1.960510     4     7
    12  H     16.780890   10.769514    0.903287     6     8
    13  H     16.687276   12.522167    0.606553     6     8
    14  N     14.317991   10.745888   -0.113658     1     9    15    18
    15  CA    12.965742   10.659955   -0.548961     2    14    16    19    20
    16  C     12.302282    9.287701   -0.584688     3    15    17    21
    17  O     11.052968    9.300062   -0.457323     5    16
    18  HN    14.667783   10.128606    0.605706     4    14
    19  H     12.285089   11.270002    0.069288     6    15
    20  H     12.923324   10.897937   -1.660199     6    15
    21  N     13.157308    8.174476   -0.494831     1    16    22    25
    22  CA    12.740799    6.788727   -0.599977     2    21    23    26    27
    23  C     12.243107    6.512781   -2.021505     3    22    24    28
    24  O     12.347559    7.374844   -2.861185     5    23
    25  HN    14.131447    8.380122   -0.401864     4    21
    26  H     13.653302    6.177962   -0.332827     6    22
    27  H     12.019519    6.519809    0.159045     6    22
    28  N     11.702019    5.319777   -2.313572     1    23    29    32
    29  CA    11.034819    4.863221   -3.548550     2    28    30    33    34
    30  C     10.178439    3.713459   -3.230930     3    29    31    35
    31  O     10.625020    2.713074   -2.702161     5    30
    32  HN    11.618047    4.514082   -1.644477     4    28
    33  H     10.476153    5.708012   -3.960975     6    29
    34  H     11.849131    4.624596   -4.328309     6    29
    35  N      8.869456    3.815406   -3.531136     1    30    36    39
    36  CA     7.848675    2.917084   -3.214742     2    35    37    40    41
    37  C      6.796576    2.563079   -4.210141     3    36    38    42
    38  O      6.928546    2.807371   -5.437713     5    37
    39  HN     8.483506    4.506261   -4.126403     4    35
    40  H      8.248983    1.903118   -2.988170     6    36
    41  H      7.460132    3.326479   -2.244720     6    36
    42  N      5.753911    1.954827   -3.669580     1    37    43    46
    43  CA     4.614045    1.340896   -4.338621     2    42    44    47    48
    44  C      3.243128    1.633984   -3.799305     3    43    45    49
    45  O      3.048497    2.482486   -2.922333     5    44
    46  HN     5.578403    1.789571   -2.642142     4    42
    47  H      4.672742    1.554166   -5.445447     6    43
    48  H      4.716080    0.260679   -4.296637     6    43
    49  N      2.162990    1.013083   -4.310108     1    44    50    53
    50  CA     0.792437    1.201781   -3.924862     2    49    51    54    55
    51  C      0.468753    0.891482   -2.483352     3    50    52    56
    52  O      1.048616   -0.027730   -1.809955     5    51
    53  HN     2.443485    0.444552   -5.159227     4    49
    54  H      0.547952    2.204676   -4.246804     6    50
    55  H      0.168573    0.525028   -4.513652     6    50
    56  N     -0.607111    1.536287   -1.979473     1    51    57    60
    57  CA    -1.315024    1.309132   -0.735471     2    56    58    61    62
    58  C     -2.825884    1.436594   -0.685659     3    57    59    63
    59  O     -3.392626    1.754757    0.326345     5    58
    60  HN    -1.116038    2.302194   -2.511316     4    56
    61  H     -1.077599    0.248905   -0.404054     6    57
    62  H     -0.921450    2.011320   -0.000309     6    57
    63  N     -3.425024    1.429287   -1.900462     1    58    64    67
    64  CA    -4.758305    1.841175   -2.184155     2    63    65    68    69
    65  C     -5.321111    1.113083   -3.420724     3    64    66    70
    66  O     -5.179903   -0.131846   -3.689935     5    65
    67  HN    -2.886727    1.150292   -2.704884     4    63
    68  H     -5.462022    1.547779   -1.298276     6    64
    69  H     -4.868426    2.984295   -2.241868     6    64
    70  N     -6.070372    1.959973   -4.103772     1    65    71    74
    71  CA    -6.869181    1.663160   -5.249883     2    70    72    75    76
    72  C     -8.250965    1.350286   -4.835206     3    71    73    77
    73  O     -8.681140    1.561742   -3.720385     5    72
    74  HN    -6.273478    2.893732   -3.742502     4    70
    75  H     -6.981826    2.516538   -5.948900     6    71
    76  H     -6.482058    0.802779   -5.841098     6    71
    77  N     -9.056855    0.850506   -5.805238     1    72    78    81
    78  CA   -10.468544    0.646815   -5.740955     2    77    79    82    83
    79  C    -11.175331    1.632002   -6.676245     3    78    80    84
    80  O    -11.454596    2.800073   -6.296248     5    79
    81  HN    -8.616256    0.736236   -6.713944     4    77
    82  H    -10.713264   -0.445808   -5.863733     6    78
    83  H    -10.945451    0.806147   -4.709741     6    78
    84  N    -11.471110    1.009207   -7.880843     1    79    85    88
    85  CA   -12.177369    1.698286   -8.959216     2    84    86    89    90
    86  C    -11.464404    1.433543  -10.255262     3    85    87    91
    87  O    -10.246885    1.464387  -10.368487     5    86
    88  HN   -11.066464    0.097502   -8.069859     4    84
    89  H    -13.204368    1.249641   -8.855604     6    85
    90  H    -12.307559    2.789249   -8.888125     6    85
    91  N    -12.311556    1.345369  -11.340892   230    86    92    93
    92  C    -11.774017    1.214733  -12.672601   232    91    94    95    96
    93  HN   -13.361286    1.465231  -11.210704   231    91
    94  H    -12.601013    1.321762  -13.475810   233    92
    95  H    -11.416146    0.196526  -12.744210   233    92
    96  H    -10.890904    1.877914  -12.751981   233    92
96 12_Glycine
     1  C     26.361277  -13.118659   -3.252715   224     2     4     5     6
     2  C     26.992123  -12.623631   -1.960749   226     1     3     7
     3  O     28.083919  -12.047907   -1.998537   227     2
     4  H     25.503523  -12.550291   -3.571065   225     1
     5  H     26.088762  -14.191963   -3.149968   225     1
     6  H     27.209350  -13.093786   -3.979376   225     1
     7  N     26.311072  -12.919360   -0.830532     1     2     8    11
     8  CA    26.553087  -12.568407    0.537841     2     7     9    12    13
     9  C     25.676339  -13.303727    1.551034     3     8    10    14
    10  O     25.914770  -14.510171    1.772841     5     9
    11  HN    25.399487  -13.428045   -0.940710     4     7
    12  H     27.614068  -12.677477    0.830436     6     8
    13  H     26.352589  -11.428904    0.740372     6     8
    14  N     24.696007  -12.665109    2.212726     1     9    15    18
    15  CA    23.848990  -13.205852    3.197041     2    14    16    19    20
    16  C     24.454076  -13.463085    4.553210     3    15    17    21
    17  O     25.631709  -13.211072    4.851240     5    16
    18  HN    24.608780  -11.608679    1.972238     4    14
    19  H     23.115870  -12.432768    3.296779     6    15
    20  H     23.354742  -14.206021    2.878951     6    15
    21  N     23.617881  -14.181702    5.390000     1    16    22    25
    22  CA    23.843896  -14.786502    6.660258     2    21    23    26    27
    23  C     22.630375  -14.623670    7.593424     3    22    24    28
    24  O     22.422215  -15.490317    8.433589     5    23
    25  HN    22.638632  -14.282287    5.109247     4    21
    26  H     24.054904  -15.838019    6.612937     6    22
    27  H     24.652296  -14.203490    7.185458     6    22
    28  N     21.818370  -13.504428    7.514725     1    23    29    32
    29  CA    20.609279  -13.177657    8.293174     2    28    30    33    34
    30  C     19.325352  -13.899729    7.764605     3    29    31    35
    31  O     19.212013  -14.194709    6.560086     5    30
    32  HN    22.197562  -12.760793    6.888705     4    28
    33  H     20.745989  -13.386044    9.378713     6    29
    34  H     20.425197  -12.030757    8.258373     6    29
    35  N     18.256997  -14.031648    8.622440     1    30    36    39
    36  CA    16.957485  -14.674325    8.396559     2    35    37    40    41
    37  C     16.800945  -16.077678    8.790925     3    36    38    42
    38  O     17.661746  -16.941158    8.575915     5    37
    39  HN    18.356964  -13.847377    9.586242     4    35
    40  H     16.212359  -14.035541    8.853339     6    36
    41  H     16.680031  -14.652186    7.325373     6    36
    42  N     15.553477  -16.510977    9.207372     1    37    43    46
    43  CA    15.167707  -17.817893    9.594669     2    42    44    47    48
    44  C     14.758404  -17.956938   11.076783     3    43    45    49
    45  O     14.754273  -19.055018   11.658737     5    44
    46  HN    14.853876  -15.810185    9.208478     4    42
    47  H     14.305573  -18.184584    8.991985     6    43
    48  H     16.008018  -18.535068    9.323847     6    43
    49  N     14.255333  -16.825841   11.666752     1    44    50    53
    50  CA    13.783850  -16.752726   13.013639     2    49    51    54    55
    51  C     12.349807  -17.250953   13.082894     3    50    52    56
    52  O     11.857641  -17.944178   12.196144     5    51
    53  HN    14.201588  -16.003848   11.095561     4    49
    54  H     14.343655  -17.452246   13.600235     6    50
    55  H     13.989179  -15.706332   13.382960     6    50
    56  N     11.649877  -16.795245   14.126757     1    51    57    60
    57  CA    10.203973  -17.052158   14.342155     2    56    58    61    62
    58  C      9.373017  -16.078464   15.096666     3    57    59    63
    59  O      8.199482  -16.359875   15.501652     5    58
    60  HN    12.148649  -16.139612   14.792724     4    56
    61  H      9.704750  -17.114921   13.324009     6    57
    62  H     10.128039  -18.069355   14.666213     6    57
    63  N     10.022470  -14.914685   15.395088     1    58    64    67
    64  CA     9.510945  -13.772577   16.213758     2    63    65    68    69
    65  C      9.283777  -12.554217   15.314033     3    64    66    70
    66  O      8.968130  -12.697390   14.120997     5    65
    67  HN    10.859085  -14.688778   14.873720     4    63
    68  H      8.537733  -14.023061   16.763510     6    64
    69  H     10.212996  -13.582609   17.072211     6    64
    70  N      9.358305  -11.348506   15.925705     1    65    71    74
    71  CA     9.230479  -10.010041   15.346456     2    70    72    75    76
    72  C     10.553007   -9.273803   15.328841     3    71    73    77
    73  O     11.637750   -9.724574   15.845849     5    72
    74  HN     9.298608  -11.321164   16.928122     4    70
    75  H      8.783787  -10.118315   14.333681     6    71
    76  H      8.448487   -9.437740   15.965411     6    71
    77  N     10.491899   -8.060768   14.749543     1    72    78    81
    78  CA    11.536623   -7.147531   14.508676     2    77    79    82    83
    79  C     11.153755   -5.965548   13.715063     3    78    80    84
    80  O      9.974130   -5.730059   13.480517     5    79
    81  HN     9.605831   -7.667114   14.424181     4    77
    82  H     11.865270   -6.646197   15.408982     6    78
    83  H     12.505618   -7.693282   14.047625     6    78
    84  N     12.127750   -5.132835   13.196777     1    79    85    88
    85  CA    11.766183   -3.984264   12.369387     2    84    86    89    90
    86  C     12.714485   -3.783194   11.163130     3    85    87    91
    87  O     13.618005   -4.636510   10.955416     5    86
    88  HN    13.055494   -5.490884   13.461928     4    84
    89  H     10.747813   -4.151447   11.959489     6    85
    90  H     11.808750   -3.001651   12.903148     6    85
    91  N     12.617831   -2.630037   10.449303   230    86    92    93
    92  C     13.239525   -2.368206    9.183915   232    91    94    95    96
    93  HN    11.950080   -1.945446   10.875452   231    91
    94  H     14.258469   -1.976512    9.262469   233    92
    95  H     12.629557   -1.739707    8.585070   233    92
    96  H     13.341051   -3.268669    8.566804   233    92
96 12_Glycine
     1  C      1.718105  -10.470428    1.821013   224     2     4     5     6
     2  C      0.271507  -10.229881    2.212911   226     1     3     7
     3  O      0.087917   -9.528753    3.256944   227     2
     4  H      2.280492   -9.552971    1.607453   225     1
     5  H      1.732503  -11.092776    0.911051   225     1
     6  H      2.246558  -10.931542    2.691389   225     1
     7  N     -0.743721  -10.572735    1.486013     1     2     8    11
     8  CA    -2.107894  -10.331032    1.898623     2     7     9    12    13
     9  C     -2.983744   -9.589859    0.885219     3     8    10    14
    10  O     -4.150891   -9.339166    1.142342     5     9
    11  HN    -0.595862  -11.205753    0.689049     4     7
    12  H     -2.587133  -11.280979    2.165726     6     8
    13  H     -2.056823   -9.757808    2.852326     6     8
    14  N     -2.436200   -9.251826   -0.360915     1     9    15    18
    15  CA    -3.216038   -8.618616   -1.342670     2    14    16    19    20
    16  C     -2.570920   -8.777597   -2.687174     3    15    17    21
    17  O     -2.814498   -7.979732   -3.622195     5    16
    18  HN    -1.427221   -9.298413   -0.460523     4    14
    19  H     -4.228854   -9.148200   -1.470380     6    15
    20  H     -3.389785   -7.587626   -0.904728     6    15
    21  N     -1.604586   -9.740200   -2.913639     1    16    22    25
    22  CA    -0.894711  -10.154820   -4.195206     2    21    23    26    27
    23  C      0.665109   -9.956582   -4.313931     3    22    24    28
    24  O      1.321398  -10.275469   -5.361115     5    23
    25  HN    -1.411605  -10.496377   -2.206082     4    21
    26  H     -1.056922  -11.225427   -4.488012     6    22
    27  H     -1.299130   -9.608135   -5.052478     6    22
    28  N      1.215263   -9.322624   -3.278672     1    23    29    32
    29  CA     2.687783   -9.056276   -3.000238     2    28    30    33    34
    30  C      3.270336   -9.811972   -1.802008     3    29    31    35
    31  O      2.661276  -10.727015   -1.275988     5    30
    32  HN     0.675839   -9.137324   -2.432961     4    28
    33  H      3.275818   -9.473280   -3.785200     6    29
    34  H      2.993061   -7.962418   -3.044026     6    29
    35  N      4.493603   -9.458121   -1.282739     1    30    36    39
    36  CA     5.045795  -10.194752   -0.156283     2    35    37    40    41
    37  C      5.303517  -11.635881   -0.412776     3    36    38    42
    38  O      5.247430  -12.124240   -1.567985     5    37
    39  HN     4.912764   -8.573033   -1.550519     4    35
    40  H      6.054139   -9.774660    0.103825     6    36
    41  H      4.446406  -10.107640    0.789508     6    36
    42  N      5.853967  -12.363662    0.576840     1    37    43    46
    43  CA     6.560527  -13.613838    0.368760     2    42    44    47    48
    44  C      6.546054  -14.679641    1.426444     3    43    45    49
    45  O      7.574387  -15.403309    1.613631     5    44
    46  HN     5.938417  -11.961187    1.508344     4    42
    47  H      6.072039  -14.133449   -0.471974     6    43
    48  H      7.605156  -13.507241    0.053484     6    43
    49  N      5.399676  -14.848329    2.246553     1    44    50    53
    50  CA     5.296640  -15.834301    3.298666     2    49    51    54    55
    51  C      4.874143  -15.146109    4.628177     3    50    52    56
    52  O      4.956168  -13.902505    4.737192     5    51
    53  HN     4.526289  -14.370235    1.962130     4    49
    54  H      4.621166  -16.682777    2.985020     6    50
    55  H      6.256002  -16.375055    3.446624     6    50
    56  N      4.546273  -15.995194    5.629212     1    51    57    60
    57  CA     4.257585  -15.604981    6.973867     2    56    58    61    62
    58  C      2.786761  -15.231795    7.064760     3    57    59    63
    59  O      1.973862  -16.075329    6.597013     5    58
    60  HN     4.401833  -17.018239    5.331651     4    56
    61  H      4.424102  -16.443664    7.689317     6    57
    62  H      4.940517  -14.798908    7.224560     6    57
    63  N      2.400863  -14.104993    7.821812     1    58    64    67
    64  CA     1.010423  -13.791804    8.023414     2    63    65    68    69
    65  C      0.436915  -14.830178    9.071087     3    64    66    70
    66  O      1.139156  -15.200856   10.086474     5    65
    67  HN     3.025592  -13.451243    8.333905     4    63
    68  H      0.840446  -12.742742    8.412578     6    64
    69  H      0.609116  -13.659050    7.002929     6    64
    70  N     -0.805960  -15.233292    8.761231     1    65    71    74
    71  CA    -1.533633  -16.224978    9.407011     2    70    72    75    76
    72  C     -2.280001  -17.078567    8.334062     3    71    73    77
    73  O     -1.736101  -17.429040    7.255879     5    72
    74  HN    -1.224904  -14.934416    7.854595     4    70
    75  H     -0.857435  -16.904848    9.976632     6    71
    76  H     -2.229496  -15.768125   10.139448     6    71
    77  N     -3.558695  -17.441800    8.620865     1    72    78    81
    78  CA    -4.584278  -18.059032    7.841033     2    77    79    82    83
    79  C     -5.111311  -19.367343    8.374695     3    78    80    84
    80  O     -6.024285  -19.956887    7.734205     5    79
    81  HN    -3.865509  -17.331948    9.576253     4    77
    82  H     -5.358993  -17.284948    7.647034     6    78
    83  H     -4.185759  -18.380592    6.861292     6    78
    84  N     -4.649776  -19.888984    9.468575     1    79    85    88
    85  CA    -5.320426  -20.918463   10.266406     2    84    86    89    90
    86  C     -5.873100  -20.467649   11.547830     3    85    87    91
    87  O     -6.034450  -19.269765   11.826908     5    86
    88  HN    -3.758174  -19.540265    9.855227     4    84
    89  H     -6.166382  -21.319328    9.691344     6    85
    90  H     -4.629546  -21.774787   10.517774     6    85
    91  N     -6.268641  -21.432622   12.437980   230    86    92    93
    92  C     -6.609404  -21.196212   13.850633   232    91    94    95    96
    93  HN    -6.324427  -22.387487   12.207113   231    91
    94  H     -7.619362  -21.626398   14.039014   233    92
    95  H     -6.774738  -20.108419   14.072047   233    92
    96  H     -5.777865  -21.572827   14.538173   233    92
96 12_Glycine
     1  C    -19.505697   -7.894785   -3.586645   224     2     4     5     6
     2  C    -18.796489   -8.587617   -2.488011   226     1     3     7
     3  O    -17.564042   -8.611097   -2.428701   227     2
     4  H    -19.550631   -6.812178   -3.381310   225     1
     5  H    -20.541734   -8.277620   -3.829153   225     1
     6  H    -18.967191   -8.081406   -4.560294   225     1
     7  N    -19.509769   -9.311352   -1.624427     1     2     8    11
     8  CA   -18.923944  -10.103339   -0.587603     2     7     9    12    13
     9  C    -19.710507  -11.406180   -0.360153     3     8    10    14
    10  O    -19.785108  -12.239999   -1.280513     5     9
    11  HN   -20.559054   -9.214827   -1.654148     4     7
    12  H    -17.871673  -10.426967   -0.832335     6     8
    13  H    -18.634770   -9.444779    0.345392     6     8
    14  N    -20.325317  -11.558139    0.846183     1     9    15    18
    15  CA   -21.151670  -12.623454    1.278885     2    14    16    19    20
    16  C    -20.729412  -13.095905    2.701745     3    15    17    21
    17  O    -19.985519  -12.424348    3.352413     5    16
    18  HN   -20.121878  -10.795844    1.536018     4    14
    19  H    -22.152854  -12.188130    1.396404     6    15
    20  H    -21.216863  -13.447899    0.601641     6    15
    21  N    -21.236330  -14.195589    3.222378     1    16    22    25
    22  CA   -20.990202  -14.754350    4.538655     2    21    23    26    27
    23  C    -21.977104  -14.279475    5.534464     3    22    24    28
    24  O    -23.040037  -13.743839    5.207658     5    23
    25  HN   -21.886318  -14.781749    2.601818     4    21
    26  H    -21.041815  -15.858457    4.514986     6    22
    27  H    -19.930515  -14.573661    4.863295     6    22
    28  N    -21.682512  -14.623306    6.850098     1    23    29    32
    29  CA   -22.434088  -14.521094    8.056954     2    28    30    33    34
    30  C    -21.715029  -13.822327    9.238742     3    29    31    35
    31  O    -22.032702  -14.129186   10.375911     5    30
    32  HN   -20.601403  -14.977004    7.074316     4    28
    33  H    -23.342449  -13.905864    7.866693     6    29
    34  H    -22.879423  -15.461696    8.467506     6    29
    35  N    -20.648022  -13.057329    8.993710     1    30    36    39
    36  CA   -19.802698  -12.509481    9.960985     2    35    37    40    41
    37  C    -18.795057  -13.367538   10.684275     3    36    38    42
    38  O    -18.507025  -14.503011   10.262041     5    37
    39  HN   -20.406452  -12.794208    8.039148     4    35
    40  H    -19.138545  -11.893494    9.339209     6    36
    41  H    -20.450411  -11.935572   10.637979     6    36
    42  N    -18.245905  -12.875470   11.820371     1    37    43    46
    43  CA   -17.178965  -13.571161   12.523157     2    42    44    47    48
    44  C    -16.658299  -12.511282   13.552698     3    43    45    49
    45  O    -17.287576  -12.230182   14.586831     5    44
    46  HN   -18.437518  -11.899188   12.183921     4    42
    47  H    -17.603119  -14.485542   12.985991     6    43
    48  H    -16.422934  -13.879158   11.814666     6    43
    49  N    -15.573247  -11.745793   13.122387     1    44    50    53
    50  CA   -14.826791  -10.680903   13.767862     2    49    51    54    55
    51  C    -14.638209   -9.565402   12.769402     3    50    52    56
    52  O    -15.402267   -9.507693   11.804281     5    51
    53  HN   -15.185525  -11.971863   12.197131     4    49
    54  H    -15.474104  -10.140565   14.574139     6    50
    55  H    -13.881646  -11.024941   14.232713     6    50
    56  N    -13.535887   -8.830119   12.907295     1    51    57    60
    57  CA   -13.038681   -7.752649   11.973127     2    56    58    61    62
    58  C    -12.569630   -8.124161   10.604993     3    57    59    63
    59  O    -12.309585   -9.318678   10.348553     5    58
    60  HN   -12.842731   -9.017615   13.678222     4    56
    61  H    -13.898843   -7.003832   11.930915     6    57
    62  H    -12.178703   -7.229645   12.440819     6    57
    63  N    -12.475065   -7.178210    9.637452     1    58    64    67
    64  CA   -11.996534   -7.374605    8.278229     2    63    65    68    69
    65  C    -12.975656   -6.967467    7.139002     3    64    66    70
    66  O    -12.512514   -7.027889    5.994584     5    65
    67  HN   -12.782488   -6.237959    9.855524     4    63
    68  H    -10.993190   -6.877545    8.182025     6    64
    69  H    -11.810740   -8.395118    8.078065     6    64
    70  N    -14.298274   -6.760595    7.336484     1    65    71    74
    71  CA   -15.296671   -6.493332    6.357987     2    70    72    75    76
    72  C    -16.667333   -5.982920    6.901074     3    71    73    77
    73  O    -16.714389   -5.104370    7.793213     5    72
    74  HN   -14.645428   -6.867187    8.308184     4    70
    75  H    -15.063364   -5.766461    5.549251     6    71
    76  H    -15.456574   -7.507184    5.876715     6    71
    77  N    -17.795338   -6.456667    6.343224     1    72    78    81
    78  CA   -19.158636   -5.991317    6.644525     2    77    79    82    83
    79  C    -20.305468   -6.055709    5.625501     3    78    80    84
    80  O    -21.427440   -5.848620    6.040700     5    79
    81  HN   -17.683073   -7.229315    5.720310     4    77
    82  H    -19.575497   -6.677166    7.361237     6    78
    83  H    -19.187407   -4.934142    7.197346     6    78
    84  N    -20.055469   -6.326796    4.335163     1    79    85    88
    85  CA   -20.967655   -6.781990    3.286938     2    84    86    89    90
    86  C    -21.420367   -5.621624    2.301336     3    85    87    91
    87  O    -22.504870   -5.611507    1.689663     5    86
    88  HN   -19.097559   -6.126712    3.945194     4    84
    89  H    -20.562022   -7.597731    2.647371     6    85
    90  H    -21.886394   -7.146978    3.800066     6    85
    91  N    -20.508402   -4.628938    2.131265   230    86    92    93
    92  C    -20.549113   -3.510880    1.243507   232    91    94    95    96
    93  HN   -19.516692   -4.733256    2.386016   231    91
    94  H    -21.475870   -3.457999    0.743378   233    92
    95  H    -19.731936   -3.594492    0.523945   233    92
    96  H    -20.571574   -2.501482    1.645230   233    92
96 12_Glycine
     1  C      7.464570   -8.855591   15.618642   224     2     4     5     6
     2  C      6.923879  -10.260285   15.790944   226     1     3     7
     3  O      6.281689  -10.626373   16.776526   227     2
     4  H      7.916782   -8.629043   16.673997   225     1
     5  H      6.553405   -8.264281   15.446825   225     1
     6  H      8.209424   -8.749657   14.833277   225     1
     7  N      7.201589  -11.107593   14.758886     1     2     8    11
     8  CA     7.018394  -12.511439   14.827221     2     7     9    12    13
     9  C      7.905642  -13.257796   13.803688     3     8    10    14
    10  O      9.064084  -12.823655   13.628351     5     9
    11  HN     7.603544  -10.712752   13.899154     4     7
    12  H      7.218184  -12.826848   15.938412     6     8
    13  H      5.964068  -12.783011   14.620564     6     8
    14  N      7.389669  -14.313368   13.185071     1     9    15    18
    15  CA     8.252675  -15.244690   12.530712     2    14    16    19    20
    16  C      8.620498  -14.962809   11.047590     3    15    17    21
    17  O      8.129511  -13.925147   10.466309     5    16
    18  HN     6.376655  -14.505658   13.203255     4    14
    19  H      9.217137  -15.360703   13.034772     6    15
    20  H      7.795272  -16.246367   12.562253     6    15
    21  N      9.579963  -15.766579   10.392291     1    16    22    25
    22  CA    10.128149  -15.514013    9.063168     2    21    23    26    27
    23  C      9.497292  -16.318501    7.952928     3    22    24    28
    24  O      8.397226  -16.933639    8.085630     5    23
    25  HN     9.931581  -16.702397   10.739694     4    21
    26  H      9.852183  -14.444651    8.740831     6    22
    27  H     11.217853  -15.671796    9.104084     6    22
    28  N     10.144736  -16.484333    6.811339     1    23    29    32
    29  CA     9.698981  -17.201410    5.609110     2    28    30    33    34
    30  C     10.942441  -17.431911    4.736092     3    29    31    35
    31  O     11.997851  -17.862118    5.225138     5    30
    32  HN    11.058792  -15.955101    6.597160     4    28
    33  H      9.159861  -18.100783    5.849432     6    29
    34  H      8.943488  -16.622923    5.062499     6    29
    35  N     10.787192  -16.896148    3.510585     1    30    36    39
    36  CA    11.770698  -16.984964    2.454744     2    35    37    40    41
    37  C     11.340046  -16.440340    1.109407     3    36    38    42
    38  O     11.818342  -15.450600    0.582653     5    37
    39  HN     9.822188  -16.685346    3.200519     4    35
    40  H     12.627389  -16.261148    2.766374     6    36
    41  H     12.182795  -18.042185    2.329724     6    36
    42  N     10.377072  -17.134403    0.478309     1    37    43    46
    43  CA     9.789212  -16.885032   -0.844798     2    42    44    47    48
    44  C      8.381836  -17.486390   -1.054750     3    43    45    49
    45  O      7.963155  -17.755870   -2.207889     5    44
    46  HN    10.043909  -18.003154    1.029896     4    42
    47  H      9.539177  -15.787256   -1.071886     6    43
    48  H     10.447687  -17.086405   -1.641463     6    43
    49  N      7.676387  -17.685067    0.065120     1    44    50    53
    50  CA     6.278107  -17.983267    0.124833     2    49    51    54    55
    51  C      5.258865  -17.014850   -0.471092     3    50    52    56
    52  O      4.430042  -17.477396   -1.269946     5    51
    53  HN     7.983917  -17.326018    0.951952     4    49
    54  H      6.136103  -19.017274   -0.300409     6    50
    55  H      5.885193  -18.226905    1.153050     6    50
    56  N      5.450943  -15.687376   -0.262130     1    51    57    60
    57  CA     4.636033  -14.674666   -0.791621     2    56    58    61    62
    58  C      3.849958  -14.026386    0.346500     3    57    59    63
    59  O      4.069412  -14.229562    1.550289     5    58
    60  HN     6.217915  -15.314413    0.331938     4    56
    61  H      5.273339  -14.026792   -1.312255     6    57
    62  H      3.952567  -15.101609   -1.542922     6    57
    63  N      2.936809  -13.168277   -0.139597     1    58    64    67
    64  CA     1.995086  -12.376845    0.635053     2    63    65    68    69
    65  C      1.188644  -13.131098    1.750963     3    64    66    70
    66  O      1.030016  -14.312198    1.640192     5    65
    67  HN     2.801895  -13.062321   -1.175518     4    63
    68  H      2.566051  -11.505559    0.995618     6    64
    69  H      1.235988  -11.869574   -0.081018     6    64
    70  N      1.009472  -12.426544    2.870272     1    65    71    74
    71  CA     0.637993  -12.951904    4.146428     2    70    72    75    76
    72  C     -0.878306  -13.203909    4.282094     3    71    73    77
    73  O     -1.601728  -13.197230    3.304551     5    72
    74  HN     1.140553  -11.407942    2.913188     4    70
    75  H      1.263361  -13.782262    4.358079     6    71
    76  H      0.903152  -12.154936    4.896522     6    71
    77  N     -1.384271  -13.511586    5.538459     1    72    78    81
    78  CA    -2.579341  -13.936286    6.080462     2    77    79    82    83
    79  C     -3.613023  -12.808971    6.536158     3    78    80    84
    80  O     -4.917654  -12.995086    6.499703     5    79
    81  HN    -0.647282  -13.540489    6.226761     4    77
    82  H     -3.026153  -14.747444    5.431127     6    78
    83  H     -2.370148  -14.550652    7.008913     6    78
    84  N     -3.039951  -11.731652    7.099731     1    79    85    88
    85  CA    -3.811606  -10.571636    7.413600     2    84    86    89    90
    86  C     -3.490192   -9.868731    8.774436     3    85    87    91
    87  O     -2.924570  -10.531883    9.649066     5    86
    88  HN    -2.046020  -11.662395    7.257080     4    84
    89  H     -3.597593   -9.762441    6.594826     6    85
    90  H     -4.925856  -10.679150    7.393495     6    85
    91  N     -3.746121   -8.549053    8.847440   230    86    92    93
    92  C     -3.473616   -7.585334    9.933278   232    91    94    95    96
    93  HN    -4.281380   -8.123857    8.065257   231    91
    94  H     -2.739774   -7.986017   10.679104   233    92
    95  H     -4.406061   -7.221541   10.347091   233    92
    96  H     -2.982244   -6.710574    9.518778   233    92
96 12_Glycine
     1  C      7.326846   14.488313  -20.027702   224     2     4     5     6
     2  C      6.322351   13.702619  -20.770705   226     1     3     7
     3  O      6.476818   13.670100  -22.054496   227     2
     4  H      7.034322   14.586813  -18.929697   225     1
     5  H      7.376374   15.506173  -20.526421   225     1
     6  H      8.294179   14.005303  -20.090664   225     1
     7  N      5.265019   13.154766  -20.176501     1     2     8    11
     8  CA     4.149259   12.529316  -20.895541     2     7     9    12    13
     9  C      2.922997   12.575708  -20.029032     3     8    10    14
    10  O      2.423201   13.675607  -19.725992     5     9
    11  HN     5.201744   13.157671  -19.118648     4     7
    12  H      3.857847   12.998591  -21.846246     6     8
    13  H      4.531488   11.516564  -21.219879     6     8
    14  N      2.383149   11.442208  -19.557484     1     9    15    18
    15  CA     1.240155   11.120315  -18.787625     2    14    16    19    20
    16  C      0.293734   10.235205  -19.554474     3    15    17    21
    17  O      0.241580   10.397056  -20.802656     5    16
    18  HN     2.842767   10.525626  -19.703234     4    14
    19  H      1.561954   10.554694  -17.844927     6    15
    20  H      0.670702   12.027126  -18.379565     6    15
    21  N     -0.504192    9.408513  -18.843277     1    16    22    25
    22  CA    -1.581228    8.674821  -19.365705     2    21    23    26    27
    23  C     -2.828816    8.833944  -18.576633     3    22    24    28
    24  O     -2.942207    9.842362  -17.853606     5    23
    25  HN    -0.313373    9.301669  -17.832191     4    21
    26  H     -1.809195    9.069470  -20.399962     6    22
    27  H     -1.348913    7.581490  -19.420149     6    22
    28  N     -3.750272    7.851328  -18.651655     1    23    29    32
    29  CA    -4.980758    7.949414  -17.943629     2    28    30    33    34
    30  C     -6.195162    7.652387  -18.851195     3    29    31    35
    31  O     -6.243421    7.841979  -20.090595     5    30
    32  HN    -3.756071    7.139766  -19.402343     4    28
    33  H     -4.894398    7.380345  -17.005870     6    29
    34  H     -5.085523    8.993960  -17.549869     6    29
    35  N     -7.308894    7.307147  -18.187070     1    30    36    39
    36  CA    -8.583437    6.957238  -18.834628     2    35    37    40    41
    37  C     -8.838880    5.431825  -18.820115     3    36    38    42
    38  O     -7.849005    4.641295  -18.913314     5    37
    39  HN    -7.219697    7.178796  -17.139110     4    35
    40  H     -9.362814    7.546734  -18.327225     6    36
    41  H     -8.610279    7.193228  -19.961110     6    36
    42  N    -10.153438    5.069508  -18.678538     1    37    43    46
    43  CA   -10.887251    3.840890  -18.490679     2    42    44    47    48
    44  C    -11.044695    3.441308  -17.064809     3    43    45    49
    45  O    -10.783578    4.271752  -16.191789     5    44
    46  HN   -10.810948    5.843456  -18.522727     4    42
    47  H    -11.919829    3.862536  -19.017007     6    43
    48  H    -10.344310    3.035088  -18.972481     6    43
    49  N    -11.284358    2.086324  -16.894401     1    44    50    53
    50  CA   -11.405587    1.480802  -15.611425     2    49    51    54    55
    51  C    -11.824325    0.009469  -15.642722     3    50    52    56
    52  O    -11.961804   -0.605010  -16.720593     5    51
    53  HN   -11.435364    1.460469  -17.668449     4    49
    54  H    -10.402245    1.490796  -15.088276     6    50
    55  H    -12.186452    2.042796  -14.958924     6    50
    56  N    -12.114315   -0.493777  -14.427424     1    51    57    60
    57  CA   -12.518009   -1.817187  -14.092151     2    56    58    61    62
    58  C    -11.403894   -2.805555  -13.667957     3    57    59    63
    59  O    -10.244254   -2.352113  -13.557540     5    58
    60  HN   -12.065563    0.111768  -13.616658     4    56
    61  H    -13.155651   -1.783665  -13.169827     6    57
    62  H    -13.158649   -2.288439  -14.897435     6    57
    63  N    -11.758885   -4.031903  -13.303222     1    58    64    67
    64  CA   -10.734388   -4.991311  -12.719118     2    63    65    68    69
    65  C    -10.721518   -6.319974  -13.533521     3    64    66    70
    66  O    -11.756256   -6.626627  -14.171517     5    65
    67  HN   -12.769929   -4.255443  -13.286296     4    63
    68  H     -9.642440   -4.572878  -12.884577     6    64
    69  H    -10.983096   -5.227744  -11.637330     6    64
    70  N     -9.713620   -7.166455  -13.390138     1    65    71    74
    71  CA    -9.458304   -8.471773  -14.024403     2    70    72    75    76
    72  C     -8.989910   -8.181321  -15.400105     3    71    73    77
    73  O     -9.811631   -8.157262  -16.331609     5    72
    74  HN    -9.051267   -6.862960  -12.626015     4    70
    75  H     -8.787822   -9.156381  -13.376638     6    71
    76  H    -10.448683   -9.011504  -14.045315     6    71
    77  N     -7.663159   -7.898487  -15.603911     1    72    78    81
    78  CA    -7.054824   -7.411372  -16.818282     2    77    79    82    83
    79  C     -5.670111   -6.916331  -16.595794     3    78    80    84
    80  O     -5.267932   -6.548489  -15.493503     5    79
    81  HN    -7.054542   -8.110487  -14.863169     4    77
    82  H     -7.038251   -8.189628  -17.660516     6    78
    83  H     -7.712279   -6.625810  -17.264640     6    78
    84  N     -4.919217   -6.876490  -17.737362     1    79    85    88
    85  CA    -3.523512   -6.580655  -17.864446     2    84    86    89    90
    86  C     -2.992376   -7.619831  -18.852912     3    85    87    91
    87  O     -3.768358   -8.182373  -19.580676     5    86
    88  HN    -5.351014   -7.165679  -18.658461     4    84
    89  H     -3.382855   -5.556520  -18.176433     6    85
    90  H     -3.047754   -6.810733  -16.929190     6    85
    91  N     -1.683219   -7.620325  -19.090635   230    86    92    93
    92  C     -0.947551   -8.231368  -20.194727   232    91    94    95    96
    93  HN    -1.093704   -7.048767  -18.509069   231    91
    94  H     -0.242799   -8.952853  -19.892191   233    92
    95  H     -0.354591   -7.536507  -20.778756   233    92
    96  H     -1.554419   -8.773469  -20.936159   233    92
96 12_Glycine
     1  C     16.538985    2.910236    0.499809   224     2     4     5     6
     2  C     15.948043    2.442181    1.832387   226     1     3     7
     3  O     16.403950    2.957242    2.931074   227     2
     4  H     16.707676    3.995759    0.374014   225     1
     5  H     16.034029    2.568602   -0.426152   225     1
     6  H     17.565166    2.504715    0.553540   225     1
     7  N     14.973619    1.527163    1.680330     1     2     8    11
     8  CA    14.270681    0.852565    2.721451     2     7     9    12    13
     9  C     14.533896   -0.672970    2.777788     3     8    10    14
    10  O     15.564852   -1.113604    2.158217     5     9
    11  HN    14.559594    1.457799    0.731710     4     7
    12  H     14.359052    1.326339    3.648206     6     8
    13  H     13.159664    0.909014    2.582450     6     8
    14  N     13.690111   -1.420619    3.517533     1     9    15    18
    15  CA    13.736730   -2.862204    3.791868     2    14    16    19    20
    16  C     14.952970   -3.347450    4.627638     3    15    17    21
    17  O     15.714559   -2.541398    5.171797     5    16
    18  HN    13.054636   -0.960733    4.129181     4    14
    19  H     12.830690   -3.177375    4.272712     6    15
    20  H     13.799933   -3.370904    2.779105     6    15
    21  N     15.206659   -4.660316    4.637138     1    16    22    25
    22  CA    16.342617   -5.329718    5.198158     2    21    23    26    27
    23  C     16.729436   -6.615015    4.443781     3    22    24    28
    24  O     17.229876   -7.608029    4.949903     5    23
    25  HN    14.530658   -5.316868    4.266072     4    21
    26  H     17.201016   -4.626799    5.055453     6    22
    27  H     16.185712   -5.636619    6.221512     6    22
    28  N     16.654320   -6.519582    3.108417     1    23    29    32
    29  CA    17.023531   -7.471451    2.127340     2    28    30    33    34
    30  C     16.407180   -7.300740    0.715429     3    29    31    35
    31  O     17.005088   -7.813738   -0.233315     5    30
    32  HN    16.234939   -5.679643    2.662472     4    28
    33  H     18.144129   -7.452480    1.987626     6    29
    34  H     16.645592   -8.526727    2.348965     6    29
    35  N     15.241557   -6.600294    0.470734     1    30    36    39
    36  CA    14.579807   -6.517164   -0.841147     2    35    37    40    41
    37  C     13.625437   -5.349724   -0.963475     3    36    38    42
    38  O     12.601872   -5.384286   -1.712123     5    37
    39  HN    14.541727   -6.336406    1.188040     4    35
    40  H     15.368320   -6.477205   -1.650743     6    36
    41  H     13.896171   -7.461769   -1.066610     6    36
    42  N     13.860407   -4.283924   -0.197377     1    37    43    46
    43  CA    13.057373   -3.099620   -0.260265     2    42    44    47    48
    44  C     13.790236   -1.816935   -0.641523     3    43    45    49
    45  O     13.305265   -0.706792   -0.185066     5    44
    46  HN    14.665315   -4.198404    0.476882     4    42
    47  H     12.254604   -3.246115   -0.988104     6    43
    48  H     12.515857   -2.934522    0.731381     6    43
    49  N     15.026813   -1.909178   -1.207495     1    44    50    53
    50  CA    15.846613   -0.755570   -1.518768     2    49    51    54    55
    51  C     17.330436   -0.979265   -1.780631     3    50    52    56
    52  O     17.868616   -2.054008   -1.584882     5    51
    53  HN    15.342673   -2.710561   -1.817082     4    49
    54  H     15.492200   -0.359843   -2.499960     6    50
    55  H     15.543744    0.170724   -0.871073     6    50
    56  N     18.005480    0.046416   -2.306712     1    51    57    60
    57  CA    19.447698    0.009844   -2.728346     2    56    58    61    62
    58  C     19.778551   -0.627587   -4.057086     3    57    59    63
    59  O     19.098778   -1.523631   -4.580112     5    58
    60  HN    17.396093    0.781923   -2.697669     4    56
    61  H     19.958713    1.007398   -2.619729     6    57
    62  H     19.932433   -0.725443   -1.999943     6    57
    63  N     20.860465   -0.176941   -4.757817     1    58    64    67
    64  CA    21.294410   -0.778202   -6.059983     2    63    65    68    69
    65  C     21.973183    0.115526   -6.959537     3    64    66    70
    66  O     22.394147    1.226451   -6.518257     5    65
    67  HN    21.355279    0.650612   -4.506291     4    63
    68  H     21.991973   -1.653419   -5.785742     6    64
    69  H     20.383871   -1.291006   -6.565585     6    64
    70  N     22.080401   -0.228903   -8.263982     1    65    71    74
    71  CA    22.895825    0.510065   -9.270306     2    70    72    75    76
    72  C     23.259652   -0.401793  -10.410417     3    71    73    77
    73  O     23.506972   -1.671856  -10.301795     5    72
    74  HN    21.428675   -0.892259   -8.766485     4    70
    75  H     22.350639    1.402275   -9.580348     6    71
    76  H     23.757409    0.881659   -8.740184     6    71
    77  N     23.402560    0.302040  -11.619412     1    72    78    81
    78  CA    23.779039   -0.264791  -12.862915     2    77    79    82    83
    79  C     23.147424    0.470111  -14.108028     3    78    80    84
    80  O     22.108870    1.054974  -13.971643     5    79
    81  HN    23.141893    1.330477  -11.574554     4    77
    82  H     24.893135   -0.070506  -13.034531     6    78
    83  H     23.585681   -1.341166  -13.001838     6    78
    84  N     23.697002    0.355803  -15.324037     1    79    85    88
    85  CA    23.081782    0.981586  -16.506323     2    84    86    89    90
    86  C     23.413380    0.229588  -17.772671     3    85    87    91
    87  O     24.229744   -0.684402  -17.850561     5    86
    88  HN    24.676301   -0.036375  -15.446290     4    84
    89  H     22.047967    1.211706  -16.329170     6    85
    90  H     23.681318    1.931736  -16.617501     6    85
    91  N     22.516422    0.410663  -18.792290   230    86    92    93
    92  C     22.555948   -0.133784  -20.144511   232    91    94    95    96
    93  HN    21.730857    1.088988  -18.670828   231    91
    94  H     23.377244    0.433820  -20.610930   233    92
    95  H     21.623354    0.067086  -20.731124   233    92
    96  H     22.794290   -1.162035  -20.236031   233    92
96 12_Glycine
     1  C      8.186102   -9.991236  -14.003269   224     2     4     5     6
     2  C      9.668859  -10.020957  -13.645585   226     1     3     7
     3  O     10.207104   -9.270834  -12.821927   227     2
     4  H      7.498876   -9.758111  -13.133006   225     1
     5  H      7.774891  -10.914570  -14.417530   225     1
     6  H      8.029167   -9.273934  -14.843630   225     1
     7  N     10.366897  -10.892917  -14.420734     1     2     8    11
     8  CA    11.808214  -11.114971  -14.378059     2     7     9    12    13
     9  C     12.590183  -11.073649  -15.758124     3     8    10    14
    10  O     13.807408  -11.374279  -15.756775     5     9
    11  HN    10.031938  -11.625874  -15.072895     4     7
    12  H     12.250984  -10.389370  -13.688981     6     8
    13  H     12.156188  -12.105209  -14.069649     6     8
    14  N     11.959010  -10.551430  -16.806985     1     9    15    18
    15  CA    12.618735  -10.482207  -18.112312     2    14    16    19    20
    16  C     11.792844  -10.813364  -19.368144     3    15    17    21
    17  O     12.342561  -10.963123  -20.456664     5    16
    18  HN    11.024009  -10.169390  -16.760993     4    14
    19  H     13.112758   -9.442464  -18.210169     6    15
    20  H     13.573797  -11.163577  -18.001718     6    15
    21  N     10.471571  -11.020920  -19.204964     1    16    22    25
    22  CA     9.494360  -11.468760  -20.189550     2    21    23    26    27
    23  C      8.209950  -12.173401  -19.743924     3    22    24    28
    24  O      7.210823  -12.112933  -20.436636     5    23
    25  HN     9.939496  -10.619778  -18.458198     4    21
    26  H      9.223982  -10.554777  -20.732736     6    22
    27  H      9.985568  -12.206298  -20.964678     6    22
    28  N      8.257896  -12.758621  -18.528720     1    23    29    32
    29  CA     7.058061  -13.304359  -17.931858     2    28    30    33    34
    30  C      6.152242  -12.398536  -17.063210     3    29    31    35
    31  O      6.495308  -11.232102  -16.846680     5    30
    32  HN     9.144130  -12.792576  -18.046706     4    28
    33  H      6.335314  -13.754586  -18.669987     6    29
    34  H      7.380010  -14.126509  -17.250637     6    29
    35  N      5.014890  -12.843430  -16.550210     1    30    36    39
    36  CA     4.014406  -12.039851  -15.859313     2    35    37    40    41
    37  C      4.645510  -11.785898  -14.490326     3    36    38    42
    38  O      5.411330  -12.535376  -13.896276     5    37
    39  HN     4.670372  -13.798025  -16.778372     4    35
    40  H      3.751435  -11.079093  -16.343832     6    36
    41  H      3.072242  -12.640946  -15.894723     6    36
    42  N      4.164735  -10.652908  -13.903302     1    37    43    46
    43  CA     4.365050  -10.148590  -12.556630     2    42    44    47    48
    44  C      4.777087   -8.689586  -12.297724     3    43    45    49
    45  O      4.660330   -8.202404  -11.151010     5    44
    46  HN     3.658155   -9.997771  -14.508631     4    42
    47  H      3.430911  -10.297915  -11.921271     6    43
    48  H      5.174298  -10.728013  -12.131303     6    43
    49  N      5.276251   -8.032357  -13.391010     1    44    50    53
    50  CA     5.733035   -6.667952  -13.379018     2    49    51    54    55
    51  C      5.286514   -5.813585  -14.604011     3    50    52    56
    52  O      4.300993   -6.010529  -15.284733     5    51
    53  HN     5.278142   -8.361030  -14.363116     4    49
    54  H      5.297112   -6.170882  -12.469872     6    50
    55  H      6.786530   -6.632846  -13.334241     6    50
    56  N      5.998698   -4.690290  -14.795199     1    51    57    60
    57  CA     5.653631   -3.617209  -15.713850     2    56    58    61    62
    58  C      4.747108   -2.470553  -15.317612     3    57    59    63
    59  O      4.831550   -1.372784  -15.919840     5    58
    60  HN     6.708917   -4.461673  -14.094174     4    56
    61  H      6.569921   -3.249347  -16.284266     6    57
    62  H      5.004916   -4.073603  -16.485935     6    57
    63  N      3.836545   -2.657576  -14.350336     1    58    64    67
    64  CA     2.976395   -1.602485  -13.740636     2    63    65    68    69
    65  C      3.037092   -1.669107  -12.199678     3    64    66    70
    66  O      4.171107   -1.795613  -11.652045     5    65
    67  HN     3.736321   -3.508662  -13.820978     4    63
    68  H      3.301146   -0.634600  -14.101127     6    64
    69  H      1.975220   -1.610433  -14.243683     6    64
    70  N      1.921385   -1.479097  -11.507536     1    65    71    74
    71  CA     1.711658   -1.632741  -10.061735     2    70    72    75    76
    72  C      0.679201   -0.786098   -9.324511     3    71    73    77
    73  O      0.382786   -1.119596   -8.151448     5    72
    74  HN     1.029667   -1.264205  -11.980579     4    70
    75  H      1.435084   -2.697236   -9.920967     6    71
    76  H      2.678850   -1.513533   -9.494698     6    71
    77  N      0.241792    0.447520   -9.869075     1    72    78    81
    78  CA    -0.831733    1.268059   -9.352193     2    77    79    82    83
    79  C     -2.142222    0.458549   -9.151970     3    78    80    84
    80  O     -2.416223   -0.565375   -9.777124     5    79
    81  HN     0.678457    0.759612  -10.777838     4    77
    82  H     -0.557756    1.727326   -8.410153     6    78
    83  H     -0.962308    2.212986   -9.984891     6    78
    84  N     -2.885038    0.801935   -8.046162     1    79    85    88
    85  CA    -4.066550    0.075596   -7.604953     2    84    86    89    90
    86  C     -5.396937    0.706475   -8.191110     3    85    87    91
    87  O     -5.399380    1.029920   -9.367922     5    86
    88  HN    -2.947691    1.783994   -7.611142     4    84
    89  H     -3.980762   -0.926605   -8.094858     6    85
    90  H     -4.174114   -0.198134   -6.483033     6    85
    91  N     -6.498790    0.802614   -7.397397   230    86    92    93
    92  C     -7.838235    1.387872   -7.755682   232    91    94    95    96
    93  HN    -6.424372    0.501921   -6.405624   231    91
    94  H     -8.617800    0.615482   -7.623016   233    92
    95  H     -7.852938    1.637746   -8.850532   233    92
    96  H     -8.076076    2.246501   -7.064693   233    92
96 12_Glycine
     1  C     11.857824   -5.630660    3.368055   224     2     4     5     6
     2  C     11.402899   -4.197124    3.062098   226     1     3     7
     3  O     12.130013   -3.228801    3.196671   227     2
     4  H     12.899074   -5.709826    3.787709   225     1
     5  H     11.971108   -6.054793    2.376579   225     1
     6  H     11.065530   -6.206191    3.951238   225     1
     7  N     10.122171   -4.095361    2.650793     1     2     8    11
     8  CA     9.354681   -2.957091    2.349710     2     7     9    12    13
     9  C      9.667817   -2.380579    1.040775     3     8    10    14
    10  O     10.440656   -2.938347    0.242487     5     9
    11  HN     9.573058   -4.983671    2.734373     4     7
    12  H      8.206091   -3.147443    2.369899     6     8
    13  H      9.638535   -2.163009    3.038178     6     8
    14  N      9.082197   -1.184319    0.839101     1     9    15    18
    15  CA     9.424009   -0.296599   -0.266819     2    14    16    19    20
    16  C      9.784403    1.059844    0.237951     3    15    17    21
    17  O      9.204830    2.071540   -0.168197     5    16
    18  HN     8.487876   -0.794882    1.602033     4    14
    19  H     10.261418   -0.628762   -0.953763     6    15
    20  H      8.535869   -0.223393   -0.953134     6    15
    21  N     10.610640    1.012524    1.303275     1    16    22    25
    22  CA    10.983458    2.164875    2.022929     2    21    23    26    27
    23  C     10.113673    2.565410    3.200948     3    22    24    28
    24  O      9.952656    3.714925    3.679244     5    23
    25  HN    11.045221    0.165951    1.653760     4    21
    26  H     12.031584    2.063422    2.302313     6    22
    27  H     11.007354    2.992066    1.310104     6    22
    28  N      9.426874    1.483128    3.680507     1    23    29    32
    29  CA     8.381579    1.624570    4.690450     2    28    30    33    34
    30  C      7.436545    0.312501    4.710028     3    29    31    35
    31  O      7.201337   -0.302261    3.672878     5    30
    32  HN     9.804696    0.529312    3.536591     4    28
    33  H      8.866839    1.841617    5.685322     6    29
    34  H      7.723313    2.542580    4.410537     6    29
    35  N      6.852478   -0.079863    5.901413     1    30    36    39
    36  CA     6.243552   -1.347834    6.171683     2    35    37    40    41
    37  C      7.095998   -2.512410    5.807252     3    36    38    42
    38  O      8.237961   -2.667573    6.202507     5    37
    39  HN     6.707541    0.620694    6.650251     4    35
    40  H      6.110171   -1.424359    7.277924     6    36
    41  H      5.245220   -1.433515    5.757672     6    36
    42  N      6.493331   -3.438156    5.069233     1    37    43    46
    43  CA     7.177461   -4.709151    4.745937     2    42    44    47    48
    44  C      6.286352   -5.845075    5.268883     3    43    45    49
    45  O      5.151593   -5.568961    5.709089     5    44
    46  HN     5.672113   -3.286971    4.544519     4    42
    47  H      7.391001   -4.743184    3.639215     6    43
    48  H      8.230060   -4.753217    5.237945     6    43
    49  N      6.780847   -7.030854    5.160798     1    44    50    53
    50  CA     6.012110   -8.138881    5.684130     2    49    51    54    55
    51  C      4.655245   -8.274125    4.885289     3    50    52    56
    52  O      4.504997   -7.583541    3.884121     5    51
    53  HN     7.741240   -7.214653    4.931808     4    49
    54  H      6.629775   -9.140262    5.435061     6    50
    55  H      5.782653   -8.109934    6.756260     6    50
    56  N      3.766659   -9.234439    5.303436     1    51    57    60
    57  CA     2.467497   -9.481778    4.609722     2    56    58    61    62
    58  C      2.399495  -10.832500    3.934476     3    57    59    63
    59  O      3.354364  -11.681348    3.970927     5    58
    60  HN     3.894686   -9.885358    6.081848     4    56
    61  H      1.570293   -9.272073    5.403399     6    57
    62  H      2.102286   -8.724394    3.871791     6    57
    63  N      1.187883  -11.036504    3.352871     1    58    64    67
    64  CA     0.700819  -12.197281    2.696157     2    63    65    68    69
    65  C      0.692138  -11.941626    1.177381     3    64    66    70
    66  O      1.592482  -11.255297    0.716578     5    65
    67  HN     0.389675  -10.266108    3.586933     4    63
    68  H      1.291937  -13.109973    3.000310     6    64
    69  H     -0.324831  -12.501003    3.002725     6    64
    70  N     -0.368994  -12.327393    0.447792     1    65    71    74
    71  CA    -0.649586  -11.875157   -0.914771     2    70    72    75    76
    72  C     -1.761518  -10.850475   -0.896992     3    71    73    77
    73  O     -2.281474  -10.519881    0.173947     5    72
    74  HN    -0.964422  -13.079859    0.843876     4    70
    75  H      0.184455  -11.451486   -1.499859     6    71
    76  H     -0.854237  -12.721622   -1.599508     6    71
    77  N     -2.055108  -10.310002   -2.108083     1    72    78    81
    78  CA    -3.107927   -9.341126   -2.441787     2    77    79    82    83
    79  C     -4.144168  -10.040703   -3.298137     3    78    80    84
    80  O     -4.123608  -11.231824   -3.376557     5    79
    81  HN    -1.633320  -10.600814   -2.979095     4    77
    82  H     -3.675920   -8.898083   -1.582203     6    78
    83  H     -2.716766   -8.470590   -2.934709     6    78
    84  N     -5.055311   -9.238307   -3.780790     1    79    85    88
    85  CA    -6.194269   -9.627319   -4.489373     2    84    86    89    90
    86  C     -7.478028   -8.852561   -4.133973     3    85    87    91
    87  O     -8.604432   -9.120584   -4.716093     5    86
    88  HN    -4.966875   -8.224692   -3.794832     4    84
    89  H     -5.940338   -9.727317   -5.608752     6    85
    90  H     -6.433296  -10.687543   -4.234166     6    85
    91  N     -7.396545   -7.890511   -3.187687   230    86    92    93
    92  C     -8.469669   -7.063823   -2.794826   232    91    94    95    96
    93  HN    -6.551824   -7.652220   -2.565332   231    91
    94  H     -9.530473   -7.469052   -3.025715   233    92
    95  H     -8.523462   -6.178395   -3.453908   233    92
    96  H     -8.404699   -6.722649   -1.745531   233    92
96 12_Glycine
     1  C      9.831397  -13.089185  -15.911647   224     2     4     5     6
     2  C     11.308880  -13.031799  -15.958441   226     1     3     7
     3  O     11.983829  -12.391816  -15.103947   227     2
     4  H      9.481660  -13.726357  -16.756943   225     1
     5  H      9.382773  -12.058670  -16.142365   225     1
     6  H      9.552777  -13.440968  -14.908859   225     1
     7  N     11.925464  -13.508569  -17.047951     1     2     8    11
     8  CA    13.357366  -13.690015  -17.255752     2     7     9    12    13
     9  C     13.876291  -13.194094  -18.581523     3     8    10    14
    10  O     14.987447  -13.488508  -19.048775     5     9
    11  HN    11.317203  -13.899541  -17.812066     4     7
    12  H     14.060889  -13.204387  -16.541166     6     8
    13  H     13.691934  -14.718891  -17.131947     6     8
    14  N     13.025030  -12.468671  -19.274431     1     9    15    18
    15  CA    13.272646  -11.814614  -20.579348     2    14    16    19    20
    16  C     12.136152  -11.076478  -21.238568     3    15    17    21
    17  O     11.368552  -10.380924  -20.535111     5    16
    18  HN    12.019986  -12.323431  -18.913249     4    14
    19  H     14.084026  -11.025136  -20.546833     6    15
    20  H     13.655424  -12.543307  -21.326783     6    15
    21  N     12.084239  -11.170142  -22.587999     1    16    22    25
    22  CA    11.185457  -10.392918  -23.402487     2    21    23    26    27
    23  C      9.823839  -10.916901  -23.542813     3    22    24    28
    24  O      9.081844  -10.279104  -24.263781     5    23
    25  HN    12.631740  -11.917855  -23.056234     4    21
    26  H     11.137186   -9.297536  -23.057553     6    22
    27  H     11.660855  -10.290077  -24.401995     6    22
    28  N      9.518102  -12.123475  -22.994196     1    23    29    32
    29  CA     8.173048  -12.696147  -22.980812     2    28    30    33    34
    30  C      7.474079  -12.189210  -21.732829     3    29    31    35
    31  O      7.983635  -11.268515  -21.003578     5    30
    32  HN    10.102447  -12.756559  -22.421852     4    28
    33  H      7.610219  -12.475300  -23.881325     6    29
    34  H      8.360560  -13.750352  -22.769388     6    29
    35  N      6.370864  -12.905528  -21.419789     1    30    36    39
    36  CA     5.696231  -12.770122  -20.161820     2    35    37    40    41
    37  C      6.441745  -13.481431  -19.026765     3    36    38    42
    38  O      7.498299  -14.151824  -19.206184     5    37
    39  HN     6.012592  -13.621999  -22.054401     4    35
    40  H      5.457734  -11.699351  -19.930034     6    36
    41  H      4.633891  -13.226698  -20.150862     6    36
    42  N      5.845210  -13.267609  -17.822028     1    37    43    46
    43  CA     6.245399  -13.854852  -16.549755     2    42    44    47    48
    44  C      6.320237  -12.864567  -15.352662     3    43    45    49
    45  O      6.391879  -13.272236  -14.149614     5    44
    46  HN     4.984174  -12.788451  -17.678353     4    42
    47  H      5.413341  -14.492075  -16.174086     6    43
    48  H      7.158593  -14.551085  -16.633731     6    43
    49  N      6.306735  -11.557209  -15.623674     1    44    50    53
    50  CA     6.115643  -10.484143  -14.687217     2    49    51    54    55
    51  C      5.119269   -9.403484  -15.137867     3    50    52    56
    52  O      4.204354   -9.666292  -15.956291     5    51
    53  HN     6.481251  -11.199094  -16.540550     4    49
    54  H      5.660367  -10.874187  -13.703178     6    50
    55  H      7.121356  -10.175214  -14.346575     6    50
    56  N      5.238396   -8.202679  -14.520670     1    51    57    60
    57  CA     4.519979   -6.992943  -14.635234     2    56    58    61    62
    58  C      4.134226   -6.136481  -13.459384     3    57    59    63
    59  O      3.901913   -4.951615  -13.612138     5    58
    60  HN     6.039908   -8.172762  -13.871926     4    56
    61  H      5.168666   -6.350162  -15.264650     6    57
    62  H      3.499307   -7.268098  -15.148131     6    57
    63  N      4.090040   -6.635145  -12.193008     1    58    64    67
    64  CA     3.756928   -5.949775  -10.994573     2    63    65    68    69
    65  C      2.687001   -6.599723  -10.190571     3    64    66    70
    66  O      2.108513   -7.603568  -10.516461     5    65
    67  HN     4.418021   -7.575527  -11.971068     4    63
    68  H      4.716204   -5.882384  -10.419673     6    64
    69  H      3.432259   -4.919097  -11.226836     6    64
    70  N      2.388900   -5.874321   -9.092728     1    65    71    74
    71  CA     1.442336   -6.212118   -8.057640     2    70    72    75    76
    72  C      0.177279   -5.291715   -8.092533     3    71    73    77
    73  O     -0.568704   -5.154490   -7.101149     5    72
    74  HN     2.886930   -5.007818   -8.887102     4    70
    75  H      1.094251   -7.286974   -8.228123     6    71
    76  H      1.854448   -5.953120   -7.051984     6    71
    77  N     -0.021277   -4.558715   -9.202641     1    72    78    81
    78  CA    -1.093952   -3.541983   -9.325039     2    77    79    82    83
    79  C     -2.476507   -4.011608   -9.796388     3    78    80    84
    80  O     -2.792053   -5.131916  -10.244515     5    79
    81  HN     0.600876   -4.582682  -10.021682     4    77
    82  H     -1.076618   -2.926965   -8.414247     6    78
    83  H     -0.809441   -2.829685  -10.132307     6    78
    84  N     -3.408615   -3.050217   -9.706565     1    79    85    88
    85  CA    -4.845498   -3.041019  -10.102317     2    84    86    89    90
    86  C     -5.593249   -1.827412   -9.628410     3    85    87    91
    87  O     -4.984307   -0.793017   -9.365513     5    86
    88  HN    -3.137467   -2.165545   -9.186842     4    84
    89  H     -4.970277   -3.068517  -11.219932     6    85
    90  H     -5.329293   -4.022864   -9.668817     6    85
    91  N     -6.947189   -1.919865   -9.480523   230    86    92    93
    92  C     -7.753897   -0.789056   -9.068985   232    91    94    95    96
    93  HN    -7.450300   -2.768612   -9.737490   231    91
    94  H     -8.746729   -1.156286   -8.740168   233    92
    95  H     -7.904654   -0.021148   -9.813567   233    92
    96  H     -7.417323   -0.255112   -8.151800   233    92
96 12_Glycine
     1  C     -5.507838  -13.143969  -14.101210   224     2     4     5     6
     2  C     -6.967720  -13.469542  -13.686621   226     1     3     7
     3  O     -7.312487  -14.471600  -13.015994   227     2
     4  H     -4.785026  -12.960380  -13.276267   225     1
     5  H     -5.433523  -12.212395  -14.772289   225     1
     6  H     -5.252321  -13.939984  -14.742061   225     1
     7  N     -7.861348  -12.644018  -14.197089     1     2     8    11
     8  CA    -9.265296  -12.664209  -14.048412     2     7     9    12    13
     9  C     -9.932078  -11.563216  -13.125877     3     8    10    14
    10  O    -11.151311  -11.534415  -13.035346     5     9
    11  HN    -7.549152  -11.976259  -14.956032     4     7
    12  H     -9.698025  -12.588205  -15.029627     6     8
    13  H     -9.606428  -13.720537  -13.690804     6     8
    14  N     -9.180169  -10.597927  -12.496359     1     9    15    18
    15  CA    -9.618829   -9.500652  -11.627645     2    14    16    19    20
    16  C    -10.779391   -8.652823  -12.031301     3    15    17    21
    17  O    -10.864761   -8.388487  -13.237147     5    16
    18  HN    -8.248606  -10.378181  -12.791706     4    14
    19  H     -9.820783   -9.859469  -10.618970     6    15
    20  H     -8.772699   -8.858355  -11.440110     6    15
    21  N    -11.642710   -8.240459  -11.050719     1    16    22    25
    22  CA   -12.846961   -7.463750  -11.321403     2    21    23    26    27
    23  C    -12.539950   -6.135978  -12.055026     3    22    24    28
    24  O    -11.402732   -5.710475  -12.101525     5    23
    25  HN   -11.645826   -8.654422  -10.128803     4    21
    26  H    -13.634875   -8.005537  -11.923183     6    22
    27  H    -13.292665   -7.169630  -10.339914     6    22
    28  N    -13.639953   -5.515437  -12.518196     1    23    29    32
    29  CA   -13.586260   -4.231566  -13.258328     2    28    30    33    34
    30  C    -12.968960   -4.434733  -14.673858     3    29    31    35
    31  O    -12.038340   -5.188321  -14.945498     5    30
    32  HN   -14.495704   -6.015236  -12.670659     4    28
    33  H    -14.642833   -3.899548  -13.225188     6    29
    34  H    -13.077002   -3.430611  -12.704202     6    29
    35  N    -13.638615   -3.783022  -15.662764     1    30    36    39
    36  CA   -13.448647   -3.811878  -17.097455     2    35    37    40    41
    37  C    -13.495246   -2.477054  -17.800810     3    36    38    42
    38  O    -13.514645   -2.493880  -19.037639     5    37
    39  HN   -14.406988   -3.140175  -15.423043     4    35
    40  H    -12.476165   -4.233464  -17.418223     6    36
    41  H    -14.251086   -4.411989  -17.520945     6    36
    42  N    -13.498729   -1.273269  -17.123126     1    37    43    46
    43  CA   -13.615965    0.063621  -17.664824     2    42    44    47    48
    44  C    -14.019847    1.094889  -16.640518     3    43    45    49
    45  O    -13.252522    1.389136  -15.705779     5    44
    46  HN   -13.377255   -1.256743  -16.101325     4    42
    47  H    -12.603328    0.410950  -18.085217     6    43
    48  H    -14.277771    0.139915  -18.509279     6    43
    49  N    -15.203765    1.670190  -16.855933     1    44    50    53
    50  CA   -16.026942    2.586745  -16.068881     2    49    51    54    55
    51  C    -17.243563    1.956094  -15.306570     3    50    52    56
    52  O    -17.448244    0.739254  -15.230214     5    51
    53  HN   -15.854431    1.312977  -17.571045     4    49
    54  H    -15.522995    3.200182  -15.304061     6    50
    55  H    -16.449200    3.393766  -16.742233     6    50
    56  N    -18.178785    2.781632  -14.803669     1    51    57    60
    57  CA   -19.285989    2.534825  -13.948843     2    56    58    61    62
    58  C    -19.535403    3.641251  -12.930996     3    57    59    63
    59  O    -18.698220    4.390977  -12.491405     5    58
    60  HN   -18.069626    3.829154  -15.038408     4    56
    61  H    -20.105156    2.296104  -14.612999     6    57
    62  H    -19.185716    1.589957  -13.369438     6    57
    63  N    -20.801498    3.642735  -12.467549     1    58    64    67
    64  CA   -21.233060    4.624687  -11.549134     2    63    65    68    69
    65  C    -21.452388    4.240688  -10.112509     3    64    66    70
    66  O    -21.791873    5.110556   -9.257698     5    65
    67  HN   -21.525365    2.950846  -12.663940     4    63
    68  H    -20.567849    5.485462  -11.475308     6    64
    69  H    -22.171717    5.150282  -11.918790     6    64
    70  N    -21.476818    2.926317   -9.917759     1    65    71    74
    71  CA   -21.802474    2.188676   -8.713430     2    70    72    75    76
    72  C    -20.612908    1.914895   -7.758600     3    71    73    77
    73  O    -19.469589    2.357036   -7.954331     5    72
    74  HN   -21.047358    2.364730  -10.624363     4    70
    75  H    -22.546988    2.648180   -8.013276     6    71
    76  H    -22.263559    1.181663   -8.964223     6    71
    77  N    -20.902076    1.218951   -6.661403     1    72    78    81
    78  CA   -20.041058    0.695633   -5.582730     2    77    79    82    83
    79  C    -18.961292   -0.189984   -6.143360     3    78    80    84
    80  O    -19.067339   -0.665558   -7.299923     5    79
    81  HN   -21.790223    0.703165   -6.600644     4    77
    82  H    -19.686471    1.514230   -4.946978     6    78
    83  H    -20.590367   -0.038854   -4.831936     6    78
    84  N    -17.912933   -0.456108   -5.306130     1    79    85    88
    85  CA   -16.910647   -1.418829   -5.606886     2    84    86    89    90
    86  C    -15.714479   -1.330221   -4.647158     3    85    87    91
    87  O    -14.984678   -2.347003   -4.525334     5    86
    88  HN   -17.908526    0.075270   -4.444618     4    84
    89  H    -17.321151   -2.425308   -5.543810     6    85
    90  H    -16.586023   -1.292958   -6.632124     6    85
    91  N    -15.475488   -0.094556   -4.089897   230    86    92    93
    92  C    -14.277400    0.216810   -3.430532   232    91    94    95    96
    93  HN   -16.065428    0.686657   -4.239630   231    91
    94  H    -14.614502    0.766349   -2.443341   233    92
    95  H    -13.635343    0.854612   -4.054146   233    92
    96  H    -13.735408   -0.747101   -3.158048   233    92
96 12_Glycine
     1  C     10.823241   -3.948082  -21.403040   224     2     4     5     6
     2  C      9.846038   -4.564761  -20.434326   226     1     3     7
     3  O      9.967652   -5.652486  -19.827344   227     2
     4  H     11.432688   -4.705365  -21.934400   225     1
     5  H     11.569087   -3.289585  -20.916643   225     1
     6  H     10.394323   -3.377694  -22.227185   225     1
     7  N      8.746552   -3.784142  -20.095000     1     2     8    11
     8  CA     7.730048   -4.119428  -19.058697     2     7     9    12    13
     9  C      7.079628   -2.824941  -18.499364     3     8    10    14
    10  O      7.687323   -1.797486  -18.525592     5     9
    11  HN     8.551521   -2.911524  -20.543095     4     7
    12  H      6.987496   -4.749622  -19.531976     6     8
    13  H      8.091179   -4.799959  -18.173921     6     8
    14  N      5.829034   -3.059106  -17.998740     1     9    15    18
    15  CA     4.945442   -2.047156  -17.294254     2    14    16    19    20
    16  C      4.426084   -2.680490  -16.070504     3    15    17    21
    17  O      5.298196   -3.228413  -15.381436     5    16
    18  HN     5.559846   -4.067909  -17.981416     4    14
    19  H      5.368035   -1.015274  -17.103313     6    15
    20  H      3.983158   -1.846500  -17.978074     6    15
    21  N      3.193442   -2.289978  -15.692419     1    16    22    25
    22  CA     2.546570   -2.469049  -14.448240     2    21    23    26    27
    23  C      2.028511   -3.906895  -14.228003     3    22    24    28
    24  O      2.434594   -4.929253  -14.766390     5    23
    25  HN     2.552386   -1.886018  -16.369929     4    21
    26  H      3.268241   -2.261229  -13.701881     6    22
    27  H      1.780733   -1.678279  -14.386442     6    22
    28  N      1.110301   -3.930917  -13.113023     1    23    29    32
    29  CA     0.614732   -5.174922  -12.518219     2    28    30    33    34
    30  C      0.065928   -5.248494  -11.075558     3    29    31    35
    31  O     -0.527175   -6.222755  -10.688230     5    30
    32  HN     0.643538   -3.071187  -12.872178     4    28
    33  H     -0.184032   -5.590864  -13.184614     6    29
    34  H      1.416390   -5.981492  -12.687131     6    29
    35  N      0.326034   -4.216319  -10.181607     1    30    36    39
    36  CA    -0.164224   -4.065625   -8.830853     2    35    37    40    41
    37  C     -1.322265   -3.093745   -8.856220     3    36    38    42
    38  O     -2.052924   -2.923761   -9.805525     5    37
    39  HN     0.907876   -3.413439  -10.436814     4    35
    40  H     -0.425622   -5.073060   -8.356149     6    36
    41  H      0.638801   -3.666728   -8.169575     6    36
    42  N     -1.597376   -2.404546   -7.723618     1    37    43    46
    43  CA    -2.594014   -1.377533   -7.591792     2    42    44    47    48
    44  C     -2.241734   -0.331459   -6.507551     3    43    45    49
    45  O     -2.984048    0.044461   -5.622656     5    44
    46  HN    -0.991652   -2.425158   -6.920013     4    42
    47  H     -2.802201   -0.891475   -8.591792     6    43
    48  H     -3.551781   -1.828037   -7.345705     6    43
    49  N     -0.899799    0.051026   -6.516347     1    44    50    53
    50  CA    -0.216299    0.985808   -5.574138     2    49    51    54    55
    51  C     -0.113841    0.482108   -4.158668     3    50    52    56
    52  O     -0.258079   -0.699832   -3.799598     5    51
    53  HN    -0.230783   -0.292829   -7.210560     4    49
    54  H      0.761606    1.329119   -6.026729     6    50
    55  H     -0.791505    1.975652   -5.517232     6    50
    56  N      0.297771    1.444862   -3.279061     1    51    57    60
    57  CA     0.742513    1.311035   -1.951740     2    56    58    61    62
    58  C     -0.118505    2.065479   -0.880020     3    57    59    63
    59  O      0.210861    1.950791    0.282637     5    58
    60  HN     0.258766    2.443055   -3.451336     4    56
    61  H      0.733753    0.232869   -1.608613     6    57
    62  H      1.807006    1.713585   -1.950723     6    57
    63  N     -1.136515    2.864545   -1.267182     1    58    64    67
    64  CA    -1.910523    3.628406   -0.366368     2    63    65    68    69
    65  C     -2.711630    4.689679   -1.177584     3    64    66    70
    66  O     -2.400850    5.089802   -2.277269     5    65
    67  HN    -1.327936    3.015331   -2.255646     4    63
    68  H     -2.568925    2.974982    0.193354     6    64
    69  H     -1.389893    4.093464    0.484209     6    64
    70  N     -3.903716    5.043872   -0.623836     1    65    71    74
    71  CA    -4.835319    5.941701   -1.130460     2    70    72    75    76
    72  C     -5.541181    6.869858   -0.123187     3    71    73    77
    73  O     -5.022498    6.936438    1.010051     5    72
    74  HN    -4.156971    4.769209    0.363173     4    70
    75  H     -4.427185    6.543301   -1.960879     6    71
    76  H     -5.625698    5.394848   -1.634686     6    71
    77  N     -6.567504    7.562270   -0.525223     1    72    78    81
    78  CA    -7.297499    8.418415    0.396110     2    77    79    82    83
    79  C     -8.758366    8.546205   -0.015352     3    78    80    84
    80  O     -9.417291    7.584963   -0.488678     5    79
    81  HN    -6.775742    7.466494   -1.482205     4    77
    82  H     -7.355112    7.919076    1.408786     6    78
    83  H     -6.758593    9.367271    0.490080     6    78
    84  N     -9.206120    9.826282    0.047010     1    79    85    88
    85  CA   -10.485926   10.345697   -0.321865     2    84    86    89    90
    86  C    -10.529575   11.443027   -1.348755     3    85    87    91
    87  O     -9.778888   11.449489   -2.291868     5    86
    88  HN    -8.593184   10.598545    0.220805     4    84
    89  H    -11.265991    9.588044   -0.632025     6    85
    90  H    -11.012684   10.613762    0.602194     6    85
    91  N    -11.582209   12.309766   -1.332908   230    86    92    93
    92  C    -11.969535   13.362171   -2.263644   232    91    94    95    96
    93  HN   -12.209994   12.257600   -0.504608   231    91
    94  H    -11.925000   14.358416   -1.784806   233    92
    95  H    -13.000198   13.321558   -2.644317   233    92
    96  H    -11.238677   13.363771   -3.056066   233    92
96 12_Glycine
     1  C     12.192561    8.709782  -20.115614   224     2     4     5     6
     2  C     11.348377    9.830015  -19.500415   226     1     3     7
     3  O     10.549572    9.677203  -18.585965   227     2
     4  H     13.061330    9.082172  -20.667382   225     1
     5  H     11.579787    7.994235  -20.742985   225     1
     6  H     12.587825    8.198383  -19.225184   225     1
     7  N     11.525541   11.089698  -19.951262     1     2     8    11
     8  CA    10.931651   12.329372  -19.511467     2     7     9    12    13
     9  C     11.707787   12.949691  -18.370349     3     8    10    14
    10  O     12.641262   12.323015  -17.823282     5     9
    11  HN    12.172083   11.231316  -20.740072     4     7
    12  H     10.838677   12.960744  -20.454440     6     8
    13  H      9.916507   12.127167  -19.145112     6     8
    14  N     11.400348   14.244936  -18.154689     1     9    15    18
    15  CA    11.841068   15.118314  -17.083590     2    14    16    19    20
    16  C     11.477665   16.547106  -17.329969     3    15    17    21
    17  O     10.729693   17.124151  -16.531444     5    16
    18  HN    10.679586   14.658003  -18.711511     4    14
    19  H     11.342031   14.788864  -16.101324     6    15
    20  H     12.883978   15.018236  -16.836027     6    15
    21  N     12.018815   17.160654  -18.503109     1    16    22    25
    22  CA    11.858072   18.577955  -18.898646     2    21    23    26    27
    23  C     13.025747   19.464946  -18.347694     3    22    24    28
    24  O     14.148163   18.961066  -18.086856     5    23
    25  HN    12.483102   16.591716  -19.222051     4    21
    26  H     11.894181   18.670076  -19.969953     6    22
    27  H     10.875643   18.982579  -18.530737     6    22
    28  N     12.657509   20.741745  -18.336088     1    23    29    32
    29  CA    13.366992   21.904122  -17.895069     2    28    30    33    34
    30  C     12.460517   22.997622  -17.342891     3    29    31    35
    31  O     12.518861   24.102628  -17.950369     5    30
    32  HN    11.777002   20.972110  -18.834740     4    28
    33  H     14.029985   21.661952  -17.046062     6    29
    34  H     14.050485   22.309232  -18.768395     6    29
    35  N     11.492439   22.551137  -16.501703     1    30    36    39
    36  CA    10.456862   23.276997  -15.876985     2    35    37    40    41
    37  C     10.102081   23.184687  -14.413998     3    36    38    42
    38  O      8.902343   23.446257  -14.076931     5    37
    39  HN    11.529381   21.592293  -16.189689     4    35
    40  H     10.576003   24.431710  -16.064165     6    36
    41  H      9.543473   23.070410  -16.441205     6    36
    42  N     11.061815   22.798434  -13.545119     1    37    43    46
    43  CA    10.830953   22.583083  -12.114919     2    42    44    47    48
    44  C     10.798569   21.121278  -11.688855     3    43    45    49
    45  O     11.094173   20.134399  -12.417629     5    44
    46  HN    12.054450   22.751792  -13.868493     4    42
    47  H     11.688181   22.999021  -11.535708     6    43
    48  H      9.915856   23.207384  -11.737482     6    43
    49  N     10.446812   20.965202  -10.378754     1    44    50    53
    50  CA    10.155664   19.728164   -9.748442     2    49    51    54    55
    51  C      8.819714   19.034257  -10.085905     3    50    52    56
    52  O      8.383538   18.855216  -11.252255     5    51
    53  HN    10.401896   21.719941   -9.672392     4    49
    54  H     10.945289   19.011608   -9.999311     6    50
    55  H     10.318980   19.863903   -8.661563     6    50
    56  N      8.069920   18.680034   -8.975443     1    51    57    60
    57  CA     6.786139   18.166421   -8.858037     2    56    58    61    62
    58  C      6.176779   18.007618   -7.509029     3    57    59    63
    59  O      4.945395   17.700391   -7.553755     5    58
    60  HN     8.421947   19.102424   -8.082785     4    56
    61  H      6.080465   18.788888   -9.498332     6    57
    62  H      6.681047   17.165184   -9.412094     6    57
    63  N      6.914698   17.957616   -6.409722     1    58    64    67
    64  CA     6.362195   17.562250   -5.091747     2    63    65    68    69
    65  C      6.407491   18.700602   -4.162983     3    64    66    70
    66  O      6.617847   19.831123   -4.532479     5    65
    67  HN     7.901560   18.211946   -6.436394     4    63
    68  H      5.250923   17.194512   -5.096357     6    64
    69  H      7.054583   16.706220   -4.705393     6    64
    70  N      6.151068   18.332150   -2.864393     1    65    71    74
    71  CA     5.914606   19.167665   -1.720065     2    70    72    75    76
    72  C      4.431310   19.403515   -1.562673     3    71    73    77
    73  O      3.684250   19.689275   -2.463388     5    72
    74  HN     5.939728   17.368600   -2.624398     4    70
    75  H      6.420380   18.824297   -0.789439     6    71
    76  H      6.221722   20.272417   -1.802603     6    71
    77  N      3.985575   19.363273   -0.275006     1    72    78    81
    78  CA     2.617867   19.449574    0.170948     2    77    79    82    83
    79  C      1.810501   18.160943   -0.106490     3    78    80    84
    80  O      2.240148   17.183535   -0.726943     5    79
    81  HN     4.586716   19.244080    0.586059     4    77
    82  H      2.582484   19.553475    1.230069     6    78
    83  H      2.124972   20.272661   -0.329190     6    78
    84  N      0.384205   18.277582    0.062897     1    79    85    88
    85  CA    -0.621098   17.298514   -0.421878     2    84    86    89    90
    86  C     -1.251219   17.646887   -1.842402     3    85    87    91
    87  O     -0.720406   18.532909   -2.502835     5    86
    88  HN     0.087679   19.038505    0.693081     4    84
    89  H     -0.018179   16.322612   -0.650696     6    85
    90  H     -1.374251   16.996158    0.408354     6    85
    91  N     -2.385198   16.976210   -2.201378   230    86    92    93
    92  C     -3.076902   17.169095   -3.433992   232    91    94    95    96
    93  HN    -2.800311   16.330340   -1.519718   231    91
    94  H     -3.940907   16.445650   -3.632764   233    92
    95  H     -2.454597   16.974740   -4.356974   233    92
    96  H     -3.372125   18.252207   -3.527112   233    92
96 12_Glycine
     1  C     11.217670    0.067744  -12.669479   224     2     4     5     6
     2  C     11.141388   -1.407511  -12.754637   226     1     3     7
     3  O     11.669705   -2.024113  -13.781016   227     2
     4  H     10.270986    0.567558  -12.437807   225     1
     5  H     11.630002    0.242945  -13.694393   225     1
     6  H     12.060888    0.293149  -11.979958   225     1
     7  N     10.513011   -2.141631  -11.770942     1     2     8    11
     8  CA    10.275645   -3.528934  -11.643270     2     7     9    12    13
     9  C     11.019387   -4.245131  -10.532200     3     8    10    14
    10  O     12.118108   -3.779868  -10.223483     5     9
    11  HN    10.189898   -1.654069  -10.912751     4     7
    12  H      9.190035   -3.739122  -11.777750     6     8
    13  H     10.575620   -4.065880  -12.572958     6     8
    14  N     10.358467   -5.259624   -9.887306     1     9    15    18
    15  CA    10.875132   -6.110798   -8.786710     2    14    16    19    20
    16  C     10.597205   -7.578080   -9.083194     3    15    17    21
    17  O     10.777209   -8.366627   -8.175806     5    16
    18  HN     9.393893   -5.517569  -10.307620     4    14
    19  H     11.849314   -5.977065   -8.471971     6    15
    20  H     10.432289   -5.864430   -7.795703     6    15
    21  N     10.307253   -8.045969  -10.308845     1    16    22    25
    22  CA    10.025569   -9.447333  -10.564773     2    21    23    26    27
    23  C      8.603544   -9.790391  -10.839385     3    22    24    28
    24  O      8.278315  -10.957551  -11.014110     5    23
    25  HN    10.465979   -7.479757  -11.161869     4    21
    26  H     10.507123   -9.569914  -11.576331     6    22
    27  H     10.455706  -10.100170   -9.840506     6    22
    28  N      7.730358   -8.737719  -10.769268     1    23    29    32
    29  CA     6.403391   -8.861924  -11.250562     2    28    30    33    34
    30  C      5.347627   -8.385726  -10.243166     3    29    31    35
    31  O      4.244886   -8.055061  -10.648214     5    30
    32  HN     8.076809   -7.777214  -10.660915     4    28
    33  H      6.230812   -8.210961  -12.140641     6    29
    34  H      6.200013   -9.903192  -11.587039     6    29
    35  N      5.745945   -8.283924   -8.891646     1    30    36    39
    36  CA     4.782460   -7.974066   -7.774631     2    35    37    40    41
    37  C      5.086368   -6.738861   -6.933888     3    36    38    42
    38  O      4.178487   -6.348013   -6.130878     5    37
    39  HN     6.536707   -8.791912   -8.418138     4    35
    40  H      3.747627   -7.739138   -8.153588     6    36
    41  H      4.704797   -8.890524   -7.189352     6    36
    42  N      6.223127   -6.020333   -7.024797     1    37    43    46
    43  CA     6.463857   -4.731100   -6.406521     2    42    44    47    48
    44  C      7.545043   -3.908809   -7.100983     3    43    45    49
    45  O      8.021411   -4.148572   -8.187819     5    44
    46  HN     7.019173   -6.313869   -7.593618     4    42
    47  H      5.524771   -4.043545   -6.350853     6    43
    48  H      6.569445   -4.867653   -5.302962     6    43
    49  N      7.919429   -2.875782   -6.292799     1    44    50    53
    50  CA     8.997339   -1.976983   -6.544079     2    49    51    54    55
    51  C     10.379932   -2.635850   -6.452501     3    50    52    56
    52  O     11.260898   -2.375214   -7.276491     5    51
    53  HN     7.449429   -2.809503   -5.427859     4    49
    54  H      8.869782   -1.495293   -7.545623     6    50
    55  H      9.034834   -1.245352   -5.710331     6    50
    56  N     10.659893   -3.540051   -5.488167     1    51    57    60
    57  CA    11.942172   -4.250615   -5.302666     2    56    58    61    62
    58  C     12.991009   -3.338500   -4.638295     3    57    59    63
    59  O     12.692352   -2.407267   -3.897932     5    58
    60  HN    10.061236   -3.489445   -4.600403     4    56
    61  H     11.867257   -5.039124   -4.542901     6    57
    62  H     12.282034   -4.657105   -6.262180     6    57
    63  N     14.297697   -3.645781   -4.857400     1    58    64    67
    64  CA    15.340616   -2.966967   -4.158060     2    63    65    68    69
    65  C     16.575394   -2.527594   -4.995542     3    64    66    70
    66  O     17.717047   -2.535519   -4.405443     5    65
    67  HN    14.679433   -4.355543   -5.490747     4    63
    68  H     14.965094   -1.963511   -3.621594     6    64
    69  H     15.684594   -3.640198   -3.381502     6    64
    70  N     16.473295   -2.504550   -6.364690     1    65    71    74
    71  CA    17.524697   -2.404294   -7.313468     2    70    72    75    76
    72  C     17.551210   -0.947213   -7.829714     3    71    73    77
    73  O     16.782541   -0.101935   -7.336545     5    72
    74  HN    15.565065   -2.520766   -6.903224     4    70
    75  H     18.607519   -2.624340   -6.890546     6    71
    76  H     17.400210   -3.121899   -8.170502     6    71
    77  N     18.496057   -0.698852   -8.780852     1    72    78    81
    78  CA    18.701733    0.655089   -9.339947     2    77    79    82    83
    79  C     19.591018    1.472296   -8.388869     3    78    80    84
    80  O     20.244582    1.020815   -7.446192     5    79
    81  HN    19.084934   -1.467485   -9.219126     4    77
    82  H     19.062280    0.649445  -10.415170     6    78
    83  H     17.722484    1.165481   -9.418056     6    78
    84  N     19.719066    2.721890   -8.839872     1    79    85    88
    85  CA    20.587672    3.826608   -8.183469     2    84    86    89    90
    86  C     19.889596    4.326346   -6.865403     3    85    87    91
    87  O     18.628021    4.506441   -6.835587     5    86
    88  HN    18.973722    3.102880   -9.424877     4    84
    89  H     21.589787    3.466079   -8.010450     6    85
    90  H     20.741053    4.704460   -8.803052     6    85
    91  N     20.752542    4.606049   -5.836537   230    86    92    93
    92  C     20.352490    5.186416   -4.529703   232    91    94    95    96
    93  HN    21.795539    4.429225   -5.901799   231    91
    94  H     19.607181    4.652236   -3.895455   233    92
    95  H     19.862656    6.178674   -4.781152   233    92
    96  H     21.188268    5.392296   -3.820168   233    92
96 12_Glycine
     1  C     15.892895   14.934188   -4.556610   224     2     4     5     6
     2  C     16.900586   13.946792   -3.987350   226     1     3     7
     3  O     17.989254   14.323671   -3.503939   227     2
     4  H     15.335546   15.581713   -3.913345   225     1
     5  H     15.155395   14.400770   -5.093545   225     1
     6  H     16.381894   15.671513   -5.237251   225     1
     7  N     16.394745   12.671565   -3.880144     1     2     8    11
     8  CA    16.988064   11.509090   -3.302395     2     7     9    12    13
     9  C     15.959461   10.448852   -2.842869     3     8    10    14
    10  O     14.811780   10.798298   -2.494233     5     9
    11  HN    15.465947   12.499061   -4.348231     4     7
    12  H     17.499227   11.088403   -4.187724     6     8
    13  H     17.752692   11.624145   -2.538867     6     8
    14  N     16.400207    9.150099   -2.890037     1     9    15    18
    15  CA    15.567302    8.003398   -2.688328     2    14    16    19    20
    16  C     14.487721    7.861715   -3.739883     3    15    17    21
    17  O     14.608409    8.387536   -4.834149     5    16
    18  HN    17.368727    8.850038   -2.779444     4    14
    19  H     16.124816    7.027486   -2.585180     6    15
    20  H     15.096230    8.065858   -1.697709     6    15
    21  N     13.536428    6.927082   -3.517086     1    16    22    25
    22  CA    12.490522    6.543013   -4.408496     2    21    23    26    27
    23  C     12.867658    5.366410   -5.343944     3    22    24    28
    24  O     14.008956    5.256308   -5.842135     5    23
    25  HN    13.518867    6.321597   -2.694620     4    21
    26  H     11.580622    6.310301   -3.819988     6    22
    27  H     12.118885    7.411336   -5.092674     6    22
    28  N     11.902817    4.497400   -5.560507     1    23    29    32
    29  CA    11.796775    3.439540   -6.495177     2    28    30    33    34
    30  C     10.498177    3.389104   -7.245810     3    29    31    35
    31  O      9.942102    4.385785   -7.673541     5    30
    32  HN    11.055156    4.521156   -4.920889     4    28
    33  H     12.622329    3.528429   -7.193702     6    29
    34  H     12.052262    2.437621   -6.000692     6    29
    35  N     10.055520    2.134288   -7.550816     1    30    36    39
    36  CA     8.940330    1.842812   -8.444266     2    35    37    40    41
    37  C      7.604407    2.236064   -7.770467     3    36    38    42
    38  O      7.423476    2.220949   -6.567206     5    37
    39  HN    10.449629    1.234426   -7.127902     4    35
    40  H      9.159204    2.344602   -9.362036     6    36
    41  H      8.916508    0.793605   -8.743343     6    36
    42  N      6.643234    2.438393   -8.687979     1    37    43    46
    43  CA     5.254496    2.690266   -8.387753     2    42    44    47    48
    44  C      4.506409    3.375544   -9.538631     3    43    45    49
    45  O      3.303048    3.215871   -9.696061     5    44
    46  HN     6.820735    2.095224   -9.640851     4    42
    47  H      4.752725    1.709272   -8.270082     6    43
    48  H      5.120136    3.243905   -7.407093     6    43
    49  N      5.267017    4.179225  -10.345957     1    44    50    53
    50  CA     4.783879    4.916815  -11.481876     2    49    51    54    55
    51  C      5.672688    4.662109  -12.768259     3    50    52    56
    52  O      5.593909    5.361851  -13.788941     5    51
    53  HN     6.300380    4.307124  -10.108492     4    49
    54  H      3.715835    4.506515  -11.793269     6    50
    55  H      4.702456    5.987513  -11.231015     6    50
    56  N      6.536728    3.604784  -12.621420     1    51    57    60
    57  CA     7.553918    3.316717  -13.588994     2    56    58    61    62
    58  C      8.900841    2.863563  -12.952156     3    57    59    63
    59  O      9.228359    3.358583  -11.874601     5    58
    60  HN     6.458016    2.838532  -11.937098     4    56
    61  H      7.234157    2.547453  -14.265416     6    57
    62  H      7.865954    4.116940  -14.215279     6    57
    63  N      9.606943    2.001556  -13.677423     1    58    64    67
    64  CA    10.875736    1.522214  -13.219585     2    63    65    68    69
    65  C     10.703897    0.550779  -12.065720     3    64    66    70
    66  O      9.559512    0.261342  -11.726658     5    65
    67  HN     9.388852    1.713778  -14.645417     4    63
    68  H     11.447601    1.077807  -14.062920     6    64
    69  H     11.479164    2.386484  -12.787690     6    64
    70  N     11.775930    0.108963  -11.339544     1    65    71    74
    71  CA    11.807130   -0.480860   -9.992734     2    70    72    75    76
    72  C     12.906479   -1.517205   -9.655794     3    71    73    77
    73  O     13.102302   -1.722649   -8.478324     5    72
    74  HN    12.703306    0.112795  -11.787191     4    70
    75  H     11.665292    0.294109   -9.202263     6    71
    76  H     10.934231   -1.055428   -9.813504     6    71
    77  N     13.479536   -2.087262  -10.714645     1    72    78    81
    78  CA    14.581886   -3.072200  -10.577361     2    77    79    82    83
    79  C     15.663117   -3.135081  -11.700781     3    78    80    84
    80  O     15.980296   -2.231246  -12.462446     5    79
    81  HN    13.039999   -2.036617  -11.669738     4    77
    82  H     15.122698   -2.914110   -9.609730     6    78
    83  H     14.097749   -4.101671  -10.537358     6    78
    84  N     16.278365   -4.331227  -11.763730     1    79    85    88
    85  CA    17.308733   -4.739093  -12.709722     2    84    86    89    90
    86  C     17.546581   -6.224976  -12.537415     3    85    87    91
    87  O     16.551869   -6.942792  -12.199776     5    86
    88  HN    16.074271   -5.064763  -11.074329     4    84
    89  H     16.965493   -4.532573  -13.688118     6    85
    90  H     18.215835   -4.119737  -12.538066     6    85
    91  N     18.795924   -6.575560  -12.771843   230    86    92    93
    92  C     19.322580   -7.942273  -12.612644   232    91    94    95    96
    93  HN    19.582001   -5.933085  -12.794726   231    91
    94  H     18.731111   -8.546091  -11.999852   233    92
    95  H     20.383822   -8.041255  -12.228608   233    92
    96  H     19.407942   -8.416866  -13.624509   233    92
96 12_Glycine
     1  C     28.018617    3.503224   -4.077589   224     2     4     5     6
     2  C     26.819078    3.394376   -4.896118   226     1     3     7
     3  O     26.209135    4.418426   -5.241480   227     2
     4  H     27.909494    2.921012   -3.198219   225     1
     5  H     28.183083    4.526128   -3.749029   225     1
     6  H     28.870075    3.067759   -4.651183   225     1
     7  N     26.400162    2.172637   -5.363314     1     2     8    11
     8  CA    25.200393    1.934879   -6.087676     2     7     9    12    13
     9  C     23.857143    2.337866   -5.407401     3     8    10    14
    10  O     23.669875    2.864048   -4.277056     5     9
    11  HN    26.996392    1.362235   -5.239727     4     7
    12  H     25.350665    2.352666   -7.120129     6     8
    13  H     25.132797    0.876626   -6.256856     6     8
    14  N     22.802788    2.138832   -6.231865     1     9    15    18
    15  CA    21.428390    2.438048   -5.825492     2    14    16    19    20
    16  C     20.574896    3.064592   -6.829666     3    15    17    21
    17  O     20.661283    2.845100   -8.088581     5    16
    18  HN    22.916494    1.603616   -7.077462     4    14
    19  H     20.952113    1.493940   -5.429769     6    15
    20  H     21.609279    3.085395   -5.007306     6    15
    21  N     19.518122    3.749732   -6.342702     1    16    22    25
    22  CA    18.578994    4.470193   -7.156450     2    21    23    26    27
    23  C     17.814088    3.491202   -8.157390     3    22    24    28
    24  O     17.760720    2.255333   -7.972740     5    23
    25  HN    19.431663    4.028406   -5.352274     4    21
    26  H     17.860887    4.895366   -6.490309     6    22
    27  H     19.161596    5.281852   -7.647712     6    22
    28  N     17.084007    4.062687   -9.067365     1    23    29    32
    29  CA    16.348108    3.314643  -10.059575     2    28    30    33    34
    30  C     14.877603    3.112521   -9.641250     3    29    31    35
    31  O     14.189583    4.094005   -9.358988     5    30
    32  HN    17.007402    5.042116   -9.161995     4    28
    33  H     16.410796    3.950352  -11.003850     6    29
    34  H     16.789613    2.296714  -10.372008     6    29
    35  N     14.356090    1.881236   -9.757479     1    30    36    39
    36  CA    12.980706    1.457002   -9.544100     2    35    37    40    41
    37  C     12.836679    0.049138   -9.017175     3    36    38    42
    38  O     13.831011   -0.674084   -8.703470     5    37
    39  HN    14.906964    1.120758   -9.996398     4    35
    40  H     12.461293    2.058307   -8.786259     6    36
    41  H     12.374233    1.708022  -10.489601     6    36
    42  N     11.522435   -0.443313   -9.006096     1    37    43    46
    43  CA    11.114184   -1.787948   -8.705852     2    42    44    47    48
    44  C     10.152687   -2.420986   -9.739390     3    43    45    49
    45  O      9.681513   -3.568970   -9.483930     5    44
    46  HN    10.783125    0.254958   -8.938085     4    42
    47  H     11.920253   -2.582915   -8.561948     6    43
    48  H     10.511528   -1.685742   -7.762517     6    43
    49  N      9.826941   -1.716061  -10.847443     1    44    50    53
    50  CA     8.878985   -2.224148  -11.821662     2    49    51    54    55
    51  C      9.514672   -3.156375  -12.883281     3    50    52    56
    52  O      8.811866   -3.859257  -13.630956     5    51
    53  HN    10.196013   -0.768580  -11.055144     4    49
    54  H      8.022808   -2.874890  -11.392462     6    50
    55  H      8.362709   -1.381485  -12.359165     6    50
    56  N     10.902478   -3.208951  -12.981954     1    51    57    60
    57  CA    11.653794   -3.912029  -14.000239     2    56    58    61    62
    58  C     12.603554   -3.026760  -14.732194     3    57    59    63
    59  O     13.131427   -3.424544  -15.759062     5    58
    60  HN    11.458694   -2.813572  -12.231936     4    56
    61  H     12.366971   -4.660253  -13.422816     6    57
    62  H     11.012442   -4.519841  -14.667480     6    57
    63  N     12.816576   -1.749981  -14.250747     1    58    64    67
    64  CA    13.891108   -0.897796  -14.666864     2    63    65    68    69
    65  C     14.840823   -0.679443  -13.534542     3    64    66    70
    66  O     14.469746    0.006775  -12.563762     5    65
    67  HN    12.163832   -1.307051  -13.566779     4    63
    68  H     14.411870   -1.318813  -15.545404     6    64
    69  H     13.521274    0.130771  -14.955173     6    64
    70  N     16.154723   -1.058109  -13.649035     1    65    71    74
    71  CA    17.155206   -0.843333  -12.741559     2    70    72    75    76
    72  C     17.664871    0.548045  -12.501484     3    71    73    77
    73  O     17.054151    1.572419  -12.982940     5    72
    74  HN    16.371022   -1.751733  -14.409888     4    70
    75  H     16.771506   -1.169434  -11.725968     6    71
    76  H     17.975361   -1.601542  -12.811330     6    71
    77  N     18.783114    0.684272  -11.784338     1    72    78    81
    78  CA    19.535621    1.894013  -11.552350     2    77    79    82    83
    79  C     20.725145    2.020988  -12.557585     3    78    80    84
    80  O     21.210118    1.103110  -13.259791     5    79
    81  HN    19.157898   -0.195335  -11.348208     4    77
    82  H     18.863901    2.797814  -11.595412     6    78
    83  H     20.047341    1.869255  -10.527660     6    78
    84  N     21.389328    3.228417  -12.632424     1    79    85    88
    85  CA    22.503974    3.428374  -13.517253     2    84    86    89    90
    86  C     23.023603    4.841318  -13.608570     3    85    87    91
    87  O     23.241587    5.295515  -14.761150     5    86
    88  HN    21.021558    4.080891  -12.234764     4    84
    89  H     23.421527    2.786470  -13.352004     6    85
    90  H     22.171565    3.221807  -14.560800     6    85
    91  N     23.114339    5.557942  -12.501687   230    86    92    93
    92  C     23.417072    6.951649  -12.386572   232    91    94    95    96
    93  HN    23.001161    5.041982  -11.658756   231    91
    94  H     24.454132    7.182959  -12.674903   233    92
    95  H     23.514990    7.226726  -11.302204   233    92
    96  H     22.840230    7.722682  -12.855404   233    92
96 12_Glycine
     1  C     13.054371    5.297387   10.981330   224     2     4     5     6
     2  C     13.184881    4.009031   11.804824   226     1     3     7
     3  O     12.559679    3.004601   11.446736   227     2
     4  H     12.104059    5.799828   11.301530   225     1
     5  H     12.971644    5.175539    9.841452   225     1
     6  H     13.827260    6.072696   11.099488   225     1
     7  N     13.706198    4.050545   13.031300     1     2     8    11
     8  CA    13.876412    2.859239   13.852414     2     7     9    12    13
     9  C     15.018495    2.005617   13.300584     3     8    10    14
    10  O     16.018447    2.566074   12.881332     5     9
    11  HN    14.131497    4.925294   13.402180     4     7
    12  H     14.173329    3.195782   14.848048     6     8
    13  H     12.960916    2.167209   13.875670     6     8
    14  N     15.041927    0.692981   13.616430     1     9    15    18
    15  CA    16.196844   -0.221434   13.179214     2    14    16    19    20
    16  C     15.715298   -1.651200   13.313724     3    15    17    21
    17  O     14.485986   -2.006519   13.355311     5    16
    18  HN    14.259668    0.188238   14.121631     4    14
    19  H     16.532365   -0.020055   12.129790     6    15
    20  H     16.997720    0.076239   13.928788     6    15
    21  N     16.685180   -2.633633   13.152670     1    16    22    25
    22  CA    16.536039   -4.092929   13.079615     2    21    23    26    27
    23  C     16.369903   -4.878925   14.382271     3    22    24    28
    24  O     16.815146   -4.485528   15.496346     5    23
    25  HN    17.611696   -2.266109   13.147938     4    21
    26  H     15.662272   -4.342244   12.540042     6    22
    27  H     17.362439   -4.608890   12.512520     6    22
    28  N     15.874815   -6.134483   14.297661     1    23    29    32
    29  CA    15.692203   -7.120684   15.378513     2    28    30    33    34
    30  C     16.073231   -8.518425   15.085385     3    29    31    35
    31  O     17.013941   -8.728987   14.256130     5    30
    32  HN    15.555716   -6.442734   13.350222     4    28
    33  H     16.314294   -6.728257   16.276851     6    29
    34  H     14.644063   -7.058899   15.809855     6    29
    35  N     15.341060   -9.402147   15.782154     1    30    36    39
    36  CA    15.490377  -10.843130   15.843960     2    35    37    40    41
    37  C     14.905725  -11.492041   14.533120     3    36    38    42
    38  O     13.837876  -11.045666   14.107394     5    37
    39  HN    14.510806   -9.164198   16.290462     4    35
    40  H     16.585207  -11.092746   15.982173     6    36
    41  H     14.847576  -11.263683   16.727556     6    36
    42  N     15.355173  -12.664620   14.003794     1    37    43    46
    43  CA    14.708567  -13.525902   12.977937     2    42    44    47    48
    44  C     14.260893  -12.860061   11.645542     3    43    45    49
    45  O     14.868660  -11.821657   11.241692     5    44
    46  HN    16.173780  -13.226796   14.412097     4    42
    47  H     15.329128  -14.369201   12.782761     6    43
    48  H     13.750799  -13.986540   13.503369     6    43
    49  N     13.178346  -13.301770   11.075010     1    44    50    53
    50  CA    12.345023  -12.558950   10.132714     2    49    51    54    55
    51  C     11.185088  -11.897311   10.937242     3    50    52    56
    52  O     10.726081  -12.378489   11.961708     5    51
    53  HN    12.734647  -14.201618   11.242667     4    49
    54  H     12.934942  -11.760352    9.637962     6    50
    55  H     11.856093  -13.175435    9.357094     6    50
    56  N     10.599655  -10.866976   10.341116     1    51    57    60
    57  CA     9.434535  -10.125202   10.921787     2    56    58    61    62
    58  C      9.710157   -8.712402   11.289173     3    57    59    63
    59  O     10.874858   -8.223974   11.279347     5    58
    60  HN    10.785285  -10.579227    9.368014     4    56
    61  H      8.684842  -10.045018   10.049761     6    57
    62  H      8.956735  -10.618737   11.817338     6    57
    63  N      8.668683   -7.998349   11.680137     1    58    64    67
    64  CA     8.756683   -6.668151   12.167291     2    63    65    68    69
    65  C      9.183731   -6.567252   13.648203     3    64    66    70
    66  O      9.291080   -7.600923   14.359060     5    65
    67  HN     7.766788   -8.459962   11.709492     4    63
    68  H      9.431507   -5.986899   11.528264     6    64
    69  H      7.770055   -6.209737   12.198040     6    64
    70  N      9.454624   -5.336445   14.123579     1    65    71    74
    71  CA     9.705962   -5.020830   15.567293     2    70    72    75    76
    72  C     10.130796   -3.572940   15.716810     3    71    73    77
    73  O     10.693187   -2.982191   14.795723     5    72
    74  HN     9.452206   -4.543841   13.429059     4    70
    75  H      8.683713   -5.079084   16.133980     6    71
    76  H     10.334565   -5.751463   16.170430     6    71
    77  N      9.735624   -2.892232   16.854843     1    72    78    81
    78  CA    10.036665   -1.523843   17.167713     2    77    79    82    83
    79  C     11.532653   -1.278788   17.392187     3    78    80    84
    80  O     12.371897   -2.175973   17.424273     5    79
    81  HN     9.409848   -3.478256   17.642563     4    77
    82  H      9.630951   -0.875680   16.304969     6    78
    83  H      9.592070   -1.070103   18.028073     6    78
    84  N     11.790878    0.032201   17.523209     1    79    85    88
    85  CA    13.090011    0.610063   17.719582     2    84    86    89    90
    86  C     13.092855    2.119181   17.753617     3    85    87    91
    87  O     12.559634    2.797975   16.847044     5    86
    88  HN    10.972557    0.662652   17.682170     4    84
    89  H     13.607012    0.152047   18.642991     6    85
    90  H     13.759285    0.263268   16.922546     6    85
    91  N     13.699003    2.716770   18.798216   230    86    92    93
    92  C     13.989018    4.120510   19.018302   232    91    94    95    96
    93  HN    13.851521    2.032382   19.562888   231    91
    94  H     14.617072    4.377765   18.193679   233    92
    95  H     14.586453    4.223896   19.952024   233    92
    96  H     13.002269    4.754243   19.104501   233    92
96 12_Glycine
     1  C     22.442478    8.430336   -9.440825   224     2     4     5     6
     2  C     22.170945    6.984206   -9.687727   226     1     3     7
     3  O     22.352010    6.164164   -8.739511   227     2
     4  H     22.188820    8.704517   -8.433380   225     1
     5  H     21.987087    9.238520  -10.138094   225     1
     6  H     23.538776    8.692318   -9.424866   225     1
     7  N     21.651389    6.594834  -10.894538     1     2     8    11
     8  CA    21.244411    5.286217  -11.236352     2     7     9    12    13
     9  C     20.422962    5.334261  -12.515124     3     8    10    14
    10  O     20.185501    6.366666  -13.132558     5     9
    11  HN    21.434066    7.350010  -11.577393     4     7
    12  H     22.130095    4.702684  -11.329813     6     8
    13  H     20.678181    4.787097  -10.388191     6     8
    14  N     20.030665    4.118230  -12.899002     1     9    15    18
    15  CA    19.444084    3.681683  -14.154882     2    14    16    19    20
    16  C     19.726455    2.233340  -14.678180     3    15    17    21
    17  O     20.876212    1.778051  -14.722469     5    16
    18  HN    20.194307    3.296547  -12.263834     4    14
    19  H     18.368686    3.901906  -14.256200     6    15
    20  H     19.873884    4.254600  -14.996427     6    15
    21  N     18.567645    1.618117  -14.996203     1    16    22    25
    22  CA    18.506868    0.229061  -15.482786     2    21    23    26    27
    23  C     17.711591   -0.726374  -14.616370     3    22    24    28
    24  O     18.066307   -0.917756  -13.393257     5    23
    25  HN    17.658812    1.882383  -14.578275     4    21
    26  H     17.950208    0.269504  -16.487708     6    22
    27  H     19.473508   -0.246753  -15.637342     6    22
    28  N     16.764719   -1.404303  -15.253310     1    23    29    32
    29  CA    15.918914   -2.449091  -14.608484     2    28    30    33    34
    30  C     14.679269   -1.799475  -14.115060     3    29    31    35
    31  O     14.544211   -0.578219  -13.886386     5    30
    32  HN    16.480803   -1.091011  -16.162011     4    28
    33  H     15.819741   -3.339528  -15.394407     6    29
    34  H     16.468794   -2.856011  -13.677391     6    29
    35  N     13.701796   -2.706369  -13.818056     1    30    36    39
    36  CA    12.395417   -2.382726  -13.328709     2    35    37    40    41
    37  C     12.405142   -2.433336  -11.785467     3    36    38    42
    38  O     13.504149   -2.665364  -11.214812     5    37
    39  HN    13.844375   -3.715021  -13.895426     4    35
    40  H     12.074308   -1.355382  -13.647202     6    36
    41  H     11.614526   -3.018152  -13.686149     6    36
    42  N     11.205338   -2.480451  -11.179557     1    37    43    46
    43  CA    10.949844   -2.729870   -9.688328     2    42    44    47    48
    44  C     11.344527   -4.150143   -9.340912     3    43    45    49
    45  O     11.865249   -4.461520   -8.250420     5    44
    46  HN    10.359447   -2.690642  -11.768908     4    42
    47  H     11.464701   -1.974599   -9.098883     6    43
    48  H      9.945360   -2.603294   -9.310237     6    43
    49  N     10.988799   -5.105210  -10.238386     1    44    50    53
    50  CA    11.458085   -6.444505  -10.253521     2    49    51    54    55
    51  C     12.299464   -6.571894  -11.489891     3    50    52    56
    52  O     12.661920   -5.564367  -12.110786     5    51
    53  HN    10.428320   -4.808854  -11.032572     4    49
    54  H     11.893221   -6.655658   -9.255149     6    50
    55  H     10.611183   -7.117152  -10.306796     6    50
    56  N     12.813735   -7.827747  -11.775185     1    51    57    60
    57  CA    13.698473   -8.024175  -12.931451     2    56    58    61    62
    58  C     15.157489   -7.789813  -12.776158     3    57    59    63
    59  O     15.971737   -8.001803  -13.750006     5    58
    60  HN    12.485714   -8.700228  -11.428883     4    56
    61  H     13.517176   -8.990730  -13.382746     6    57
    62  H     13.379279   -7.192916  -13.604269     6    57
    63  N     15.639423   -7.492672  -11.526149     1    58    64    67
    64  CA    16.985882   -7.068442  -11.321047     2    63    65    68    69
    65  C     17.361181   -5.607453  -11.678302     3    64    66    70
    66  O     16.545520   -4.669904  -11.472315     5    65
    67  HN    15.185518   -7.740487  -10.626133     4    63
    68  H     17.328250   -7.238736  -10.286878     6    64
    69  H     17.607203   -7.744601  -11.843247     6    64
    70  N     18.614627   -5.432589  -12.096143     1    65    71    74
    71  CA    19.253388   -4.295453  -12.610749     2    70    72    75    76
    72  C     19.223959   -4.164886  -14.095345     3    71    73    77
    73  O     18.378674   -4.815349  -14.718060     5    72
    74  HN    19.142120   -6.274519  -12.380214     4    70
    75  H     18.629759   -3.434130  -12.236791     6    71
    76  H     20.256779   -4.175657  -12.160347     6    71
    77  N     20.185767   -3.517162  -14.713060     1    72    78    81
    78  CA    20.434101   -3.255627  -16.186302     2    77    79    82    83
    79  C     21.807747   -3.811002  -16.578506     3    78    80    84
    80  O     22.397968   -4.725451  -15.945697     5    79
    81  HN    20.992337   -3.285423  -14.142197     4    77
    82  H     19.646841   -3.825147  -16.804024     6    78
    83  H     20.316969   -2.181901  -16.304303     6    78
    84  N     22.402029   -3.391289  -17.712673     1    79    85    88
    85  CA    23.748861   -3.872100  -18.154708     2    84    86    89    90
    86  C     23.706536   -4.823325  -19.333849     3    85    87    91
    87  O     23.508813   -4.479909  -20.536971     5    86
    88  HN    21.899869   -2.730714  -18.333088     4    84
    89  H     24.292923   -2.986578  -18.489034     6    85
    90  H     24.415091   -4.260812  -17.342271     6    85
    91  N     23.783940   -6.135760  -19.030734   230    86    92    93
    92  C     23.678005   -7.152559  -20.009322   232    91    94    95    96
    93  HN    24.015135   -6.431226  -18.099515   231    91
    94  H     22.853984   -7.050203  -20.769030   233    92
    95  H     23.454750   -8.144042  -19.527990   233    92
    96  H     24.593263   -7.300805  -20.587821   233    92
96 12_Glycine
     1  C     28.130906    3.933534   -2.925427   224     2     4     5     6
     2  C     26.915200    4.418158   -3.719803   226     1     3     7
     3  O     26.241225    5.347322   -3.339212   227     2
     4  H     28.814478    3.310367   -3.510223   225     1
     5  H     27.766399    3.231309   -2.149763   225     1
     6  H     28.788625    4.788920   -2.604631   225     1
     7  N     26.628192    3.726018   -4.813662     1     2     8    11
     8  CA    25.490521    3.858642   -5.711438     2     7     9    12    13
     9  C     24.343100    2.882553   -5.455994     3     8    10    14
    10  O     23.877104    2.677535   -4.304708     5     9
    11  HN    27.062961    2.807324   -4.913684     4     7
    12  H     25.142403    4.944706   -5.688122     6     8
    13  H     25.917532    3.788418   -6.785916     6     8
    14  N     24.063648    2.138099   -6.571751     1     9    15    18
    15  CA    22.954710    1.132278   -6.596851     2    14    16    19    20
    16  C     21.594703    1.868792   -6.689807     3    15    17    21
    17  O     21.463348    3.110937   -6.815699     5    16
    18  HN    24.616846    2.157017   -7.449888     4    14
    19  H     23.072084    0.435946   -7.414788     6    15
    20  H     22.931473    0.445442   -5.739577     6    15
    21  N     20.464335    1.015936   -6.742979     1    16    22    25
    22  CA    19.122411    1.411714   -7.085451     2    21    23    26    27
    23  C     18.888135    1.383152   -8.639089     3    22    24    28
    24  O     19.782230    1.647822   -9.430373     5    23
    25  HN    20.566015    0.023266   -6.726711     4    21
    26  H     18.427020    0.680502   -6.642337     6    22
    27  H     18.941428    2.359132   -6.591983     6    22
    28  N     17.596664    0.995941   -9.050180     1    23    29    32
    29  CA    17.174701    0.837866  -10.393686     2    28    30    33    34
    30  C     15.686586    1.202023  -10.537004     3    29    31    35
    31  O     15.335823    2.312001  -10.215963     5    30
    32  HN    16.937025    0.887814   -8.272009     4    28
    33  H     17.742495    1.462719  -11.064136     6    29
    34  H     17.318627   -0.231015  -10.747538     6    29
    35  N     14.844472    0.347841  -11.301258     1    30    36    39
    36  CA    13.451117    0.522216  -11.497147     2    35    37    40    41
    37  C     12.617375   -0.222208  -10.431954     3    36    38    42
    38  O     13.131382   -0.852462   -9.471361     5    37
    39  HN    15.112873   -0.635243  -11.480726     4    35
    40  H     13.317226    1.626783  -11.444529     6    36
    41  H     13.110079    0.173139  -12.419822     6    36
    42  N     11.285080   -0.025020  -10.546019     1    37    43    46
    43  CA    10.198976   -0.601818   -9.740827     2    42    44    47    48
    44  C      9.132835   -1.440566  -10.404898     3    43    45    49
    45  O      8.231037   -2.005925   -9.688255     5    44
    46  HN    11.040765    0.913984  -10.954092     4    42
    47  H     10.727982   -1.289244   -9.089390     6    43
    48  H      9.631206    0.132824   -9.056681     6    43
    49  N      9.089227   -1.357084  -11.770708     1    44    50    53
    50  CA     8.260831   -2.093525  -12.652949     2    49    51    54    55
    51  C      9.072633   -2.697205  -13.890183     3    50    52    56
    52  O      8.512105   -2.899206  -15.005763     5    51
    53  HN     9.505218   -0.581745  -12.350021     4    49
    54  H      7.599756   -2.802673  -12.115298     6    50
    55  H      7.596728   -1.411491  -13.158115     6    50
    56  N     10.342558   -3.081859  -13.643793     1    51    57    60
    57  CA    11.198770   -3.959259  -14.328275     2    56    58    61    62
    58  C     12.360416   -3.387871  -15.070926     3    57    59    63
    59  O     12.968946   -4.085074  -15.921703     5    58
    60  HN    10.761973   -2.812377  -12.738501     4    56
    61  H     11.494332   -4.865637  -13.685326     6    57
    62  H     10.610693   -4.401131  -15.154075     6    57
    63  N     12.662495   -2.051481  -14.854241     1    58    64    67
    64  CA    13.910475   -1.533417  -15.442766     2    63    65    68    69
    65  C     15.055258   -1.529709  -14.377210     3    64    66    70
    66  O     14.926943   -1.980790  -13.230538     5    65
    67  HN    12.114349   -1.328445  -14.360101     4    63
    68  H     14.202438   -2.255156  -16.290484     6    64
    69  H     13.738353   -0.456482  -15.720372     6    64
    70  N     16.257926   -1.067790  -14.803262     1    65    71    74
    71  CA    17.589857   -1.153629  -14.199576     2    70    72    75    76
    72  C     18.170390    0.237235  -13.935246     3    71    73    77
    73  O     17.537653    1.317983  -13.950993     5    72
    74  HN    16.238871   -0.776373  -15.785206     4    70
    75  H     17.565200   -1.723512  -13.214358     6    71
    76  H     18.290235   -1.824677  -14.742041     6    71
    77  N     19.487168    0.190270  -13.526757     1    72    78    81
    78  CA    20.379541    1.238346  -13.335692     2    77    79    82    83
    79  C     21.481820    1.214802  -14.413813     3    78    80    84
    80  O     21.701858    0.230330  -15.166389     5    79
    81  HN    20.006907   -0.726428  -13.634292     4    77
    82  H     19.836344    2.217965  -13.230214     6    78
    83  H     20.980537    0.976269  -12.394443     6    78
    84  N     22.102729    2.428956  -14.685297     1    79    85    88
    85  CA    23.088335    2.920521  -15.623347     2    84    86    89    90
    86  C     24.153143    3.878574  -14.994568     3    85    87    91
    87  O     25.263200    3.927598  -15.608924     5    86
    88  HN    21.668832    3.223683  -14.181911     4    84
    89  H     23.605372    2.041435  -16.036552     6    85
    90  H     22.658085    3.589221  -16.474042     6    85
    91  N     23.872884    4.545125  -13.883299   230    86    92    93
    92  C     24.758182    5.470324  -13.219335   232    91    94    95    96
    93  HN    22.948582    4.446481  -13.406811   231    91
    94  H     25.312969    5.981468  -13.961223   233    92
    95  H     25.481438    5.032839  -12.526465   233    92
    96  H     24.309702    6.338070  -12.669023   233    92
96 12_Glycine
     1  C      2.204185    1.924817  -14.987172   224     2     4     5     6
     2  C      3.199585    1.113175  -15.754563   226     1     3     7
     3  O      3.449240    1.321113  -16.966351   227     2
     4  H      1.165470    1.798279  -15.348126   225     1
     5  H      2.568020    2.977160  -15.272547   225     1
     6  H      2.003602    1.666216  -13.912724   225     1
     7  N      3.865343    0.147618  -15.081979     1     2     8    11
     8  CA     4.883953   -0.701652  -15.661913     2     7     9    12    13
     9  C      4.942941   -2.075460  -14.881787     3     8    10    14
    10  O      4.204313   -2.287776  -13.892455     5     9
    11  HN     3.646600    0.092058  -14.013316     4     7
    12  H      4.650016   -0.890629  -16.710388     6     8
    13  H      5.880728   -0.226572  -15.468499     6     8
    14  N      5.886955   -2.929888  -15.304311     1     9    15    18
    15  CA     6.246192   -4.259317  -14.833892     2    14    16    19    20
    16  C      5.284358   -5.429015  -15.025420     3    15    17    21
    17  O      4.975875   -6.220871  -14.087046     5    16
    18  HN     6.577799   -2.610658  -16.069796     4    14
    19  H      7.267159   -4.576933  -15.323934     6    15
    20  H      6.513691   -4.156374  -13.753902     6    15
    21  N      4.591872   -5.406242  -16.199585     1    16    22    25
    22  CA     3.529440   -6.370074  -16.515753     2    21    23    26    27
    23  C      3.579891   -7.009816  -17.927424     3    22    24    28
    24  O      2.619955   -7.663962  -18.270433     5    23
    25  HN     4.587023   -4.606200  -16.872881     4    21
    26  H      3.593300   -7.168925  -15.744580     6    22
    27  H      2.573772   -5.850699  -16.282208     6    22
    28  N      4.648949   -6.709288  -18.768717     1    23    29    32
    29  CA     4.690460   -7.169704  -20.149646     2    28    30    33    34
    30  C      5.207118   -6.164046  -21.168810     3    29    31    35
    31  O      5.664743   -6.493567  -22.220681     5    30
    32  HN     5.409011   -6.089626  -18.387247     4    28
    33  H      5.329453   -8.059597  -20.272389     6    29
    34  H      3.630223   -7.368810  -20.520385     6    29
    35  N      5.208268   -4.867047  -20.854707     1    30    36    39
    36  CA     5.597299   -3.706959  -21.558652     2    35    37    40    41
    37  C      4.869836   -2.353288  -21.569300     3    36    38    42
    38  O      5.486537   -1.396963  -22.124903     5    37
    39  HN     4.857700   -4.626112  -19.939100     4    35
    40  H      6.659618   -3.497064  -21.182401     6    36
    41  H      5.649737   -4.031257  -22.605125     6    36
    42  N      3.606258   -2.244964  -21.100483     1    37    43    46
    43  CA     2.872019   -1.056871  -20.925656     2    42    44    47    48
    44  C      2.159977   -0.853184  -19.541457     3    43    45    49
    45  O      2.594677   -1.389226  -18.538725     5    44
    46  HN     3.078564   -3.070845  -20.790064     4    42
    47  H      3.469543   -0.148851  -21.169405     6    43
    48  H      2.046598   -1.049336  -21.632130     6    43
    49  N      1.101844    0.004415  -19.565518     1    44    50    53
    50  CA     0.282501    0.364026  -18.416648     2    49    51    54    55
    51  C     -0.853604    1.344689  -18.768373     3    50    52    56
    52  O     -0.687381    2.570256  -18.621380     5    51
    53  HN     0.937882    0.614628  -20.358799     4    49
    54  H     -0.024333   -0.454381  -17.782007     6    50
    55  H      0.912416    0.898890  -17.693194     6    50
    56  N     -2.008439    0.747691  -19.248325     1    51    57    60
    57  CA    -3.181434    1.523009  -19.667996     2    56    58    61    62
    58  C     -2.825686    2.330762  -20.906860     3    57    59    63
    59  O     -1.809393    2.121749  -21.652960     5    58
    60  HN    -2.096534   -0.292631  -19.350543     4    56
    61  H     -4.137310    0.926254  -19.855970     6    57
    62  H     -3.337932    2.209647  -18.789201     6    57
    63  N     -3.911235    2.989807  -21.360584     1    58    64    67
    64  CA    -3.981273    3.771785  -22.574502     2    63    65    68    69
    65  C     -2.680916    4.515817  -22.678690     3    64    66    70
    66  O     -2.142437    4.948748  -21.638689     5    65
    67  HN    -4.802232    2.969440  -20.806173     4    63
    68  H     -4.196601    3.037996  -23.357098     6    64
    69  H     -4.824461    4.507919  -22.583110     6    64
    70  N     -2.176472    4.791160  -23.907963     1    65    71    74
    71  CA    -0.935111    5.421725  -24.297554     2    70    72    75    76
    72  C      0.177552    4.374668  -24.493208     3    71    73    77
    73  O      0.080500    3.512642  -25.397915     5    72
    74  HN    -2.788375    4.428823  -24.630261     4    70
    75  H     -1.181221    6.078862  -25.202441     6    71
    76  H     -0.542289    6.112990  -23.530172     6    71
    77  N      1.189812    4.316263  -23.615371     1    72    78    81
    78  CA     2.151602    3.296466  -23.420881     2    77    79    82    83
    79  C      1.574685    1.954366  -23.117239     3    78    80    84
    80  O      0.995520    1.656065  -22.102283     5    79
    81  HN     1.320840    5.094660  -22.901613     4    77
    82  H      2.796815    3.281360  -24.358340     6    78
    83  H      2.756612    3.565549  -22.528644     6    78
    84  N      1.782209    1.026769  -24.046729     1    79    85    88
    85  CA     1.021654   -0.167450  -24.265321     2    84    86    89    90
    86  C      0.469723   -0.356391  -25.662207     3    85    87    91
    87  O      0.160919   -1.474440  -26.000476     5    86
    88  HN     2.391569    1.249400  -24.873860     4    84
    89  H      1.629048   -1.128225  -24.006509     6    85
    90  H      0.146256   -0.028779  -23.614515     6    85
    91  N      0.458575    0.686420  -26.602732   230    86    92    93
    92  C     -0.082520    0.537292  -27.971373   232    91    94    95    96
    93  HN     0.684736    1.661805  -26.225970   231    91
    94  H      0.240433    1.301247  -28.671136   233    92
    95  H     -1.162122    0.658059  -28.147169   233    92
    96  H      0.181299   -0.487382  -28.423065   233    92
96 12_Glycine
     1  C     -5.620789  -15.286532  -11.750248   224     2     4     5     6
     2  C     -6.912961  -15.935232  -12.187370   226     1     3     7
     3  O     -7.402601  -16.846761  -11.477679   227     2
     4  H     -5.097171  -15.942964  -11.018297   225     1
     5  H     -5.870599  -14.421969  -11.051672   225     1
     6  H     -4.941058  -15.015310  -12.579980   225     1
     7  N     -7.620258  -15.441141  -13.247945     1     2     8    11
     8  CA    -8.975585  -15.654943  -13.483740     2     7     9    12    13
     9  C     -9.987019  -14.817428  -12.660912     3     8    10    14
    10  O    -10.997255  -15.266785  -12.164208     5     9
    11  HN    -7.166977  -14.713652  -13.841835     4     7
    12  H     -9.295839  -15.598160  -14.564163     6     8
    13  H     -9.232348  -16.694172  -13.232924     6     8
    14  N     -9.625392  -13.512871  -12.545082     1     9    15    18
    15  CA   -10.299557  -12.652890  -11.596550     2    14    16    19    20
    16  C    -11.114564  -11.586958  -12.309383     3    15    17    21
    17  O    -10.885470  -11.186316  -13.423719     5    16
    18  HN    -8.866168  -13.091602  -13.124971     4    14
    19  H    -11.116055  -13.182007  -11.022867     6    15
    20  H     -9.489805  -12.204988  -10.847046     6    15
    21  N    -12.072885  -11.037230  -11.527002     1    16    22    25
    22  CA   -13.065845  -10.051255  -11.873182     2    21    23    26    27
    23  C    -12.544318   -8.630517  -11.935141     3    22    24    28
    24  O    -11.451974   -8.194915  -11.512844     5    23
    25  HN   -12.161262  -11.283692  -10.542402     4    21
    26  H    -13.525698  -10.356363  -12.891872     6    22
    27  H    -14.008742  -10.112063  -11.246768     6    22
    28  N    -13.341187   -7.810161  -12.717087     1    23    29    32
    29  CA   -13.129627   -6.405044  -12.873676     2    28    30    33    34
    30  C    -12.597067   -6.064978  -14.255567     3    29    31    35
    31  O    -11.983231   -6.875048  -14.871232     5    30
    32  HN   -14.150030   -8.136808  -13.255417     4    28
    33  H    -14.120050   -5.880176  -12.650010     6    29
    34  H    -12.429393   -5.915778  -12.116478     6    29
    35  N    -13.103452   -4.836044  -14.726140     1    30    36    39
    36  CA   -12.963815   -4.452439  -16.085475     2    35    37    40    41
    37  C    -14.008132   -3.496409  -16.747388     3    36    38    42
    38  O    -13.840729   -2.781637  -17.725596     5    37
    39  HN   -13.584991   -4.118911  -14.220595     4    35
    40  H    -12.016914   -3.856389  -16.198152     6    36
    41  H    -12.755377   -5.384635  -16.698361     6    36
    42  N    -15.166952   -3.272920  -16.078259     1    37    43    46
    43  CA   -16.199200   -2.262402  -16.380514     2    42    44    47    48
    44  C    -15.968119   -0.987012  -15.687465     3    43    45    49
    45  O    -15.077384   -0.776650  -14.843745     5    44
    46  HN   -15.483582   -3.901097  -15.309338     4    42
    47  H    -16.248311   -2.160040  -17.531931     6    43
    48  H    -17.159764   -2.764432  -16.112479     6    43
    49  N    -16.871011   -0.000368  -16.014466     1    44    50    53
    50  CA   -17.068388    1.282170  -15.408278     2    49    51    54    55
    51  C    -18.169634    1.180395  -14.336432     3    50    52    56
    52  O    -18.289538    0.370706  -13.439936     5    51
    53  HN   -17.590113   -0.260779  -16.716762     4    49
    54  H    -16.133501    1.624674  -15.023069     6    50
    55  H    -17.383005    1.960803  -16.202660     6    50
    56  N    -19.080655    2.215811  -14.411488     1    51    57    60
    57  CA   -20.384797    2.353036  -13.820872     2    56    58    61    62
    58  C    -20.704514    3.629572  -13.099883     3    57    59    63
    59  O    -19.880745    4.215036  -12.339386     5    58
    60  HN   -18.912840    2.859885  -15.159804     4    56
    61  H    -21.153348    2.336541  -14.646683     6    57
    62  H    -20.589221    1.568687  -13.065173     6    57
    63  N    -21.906036    4.208866  -13.292179     1    58    64    67
    64  CA   -22.341180    5.497897  -12.773312     2    63    65    68    69
    65  C    -22.917862    5.402839  -11.335899     3    64    66    70
    66  O    -23.329928    6.435751  -10.840468     5    65
    67  HN   -22.510724    3.838901  -14.067036     4    63
    68  H    -21.544876    6.322367  -12.800021     6    64
    69  H    -23.127960    5.901946  -13.487097     6    64
    70  N    -23.020597    4.199559  -10.791457     1    65    71    74
    71  CA   -23.400558    3.889424   -9.462671     2    70    72    75    76
    72  C    -22.218942    3.459589   -8.577339     3    71    73    77
    73  O    -21.139205    3.201992   -9.142157     5    72
    74  HN   -22.752542    3.403775  -11.341613     4    70
    75  H    -23.689569    4.848467   -8.868558     6    71
    76  H    -24.340990    3.289026   -9.510912     6    71
    77  N    -22.438447    3.335827   -7.271645     1    72    78    81
    78  CA   -21.427546    2.860213   -6.291747     2    77    79    82    83
    79  C    -20.947100    1.399155   -6.638496     3    78    80    84
    80  O    -21.656797    0.444590   -7.010635     5    79
    81  HN   -23.436579    3.221145   -7.037315     4    77
    82  H    -20.564121    3.593803   -6.227299     6    78
    83  H    -21.864852    2.753640   -5.282614     6    78
    84  N    -19.726049    1.068292   -6.241315     1    79    85    88
    85  CA   -18.907374   -0.083884   -6.286728     2    84    86    89    90
    86  C    -18.360198   -0.502392   -4.846117     3    85    87    91
    87  O    -18.749299    0.028675   -3.831745     5    86
    88  HN   -19.094783    1.810244   -5.946921     4    84
    89  H    -19.409123   -1.042710   -6.620002     6    85
    90  H    -18.001554    0.099526   -6.934524     6    85
    91  N    -17.419291   -1.457693   -4.936722   230    86    92    93
    92  C    -16.775919   -1.970847   -3.744285   232    91    94    95    96
    93  HN   -16.980012   -1.733166   -5.846294   231    91
    94  H    -17.491607   -2.136873   -2.915801   233    92
    95  H    -15.987102   -1.322320   -3.322048   233    92
    96  H    -16.307197   -3.016356   -3.884355   233    92
96 12_Glycine
     1  C     21.492904    2.666090   14.583858   224     2     4     5     6
     2  C     20.526137    1.989138   13.645756   226     1     3     7
     3  O     19.323811    2.005675   13.922109   227     2
     4  H     20.956484    2.719060   15.547078   225     1
     5  H     21.715649    3.717756   14.184018   225     1
     6  H     22.506915    2.219607   14.647928   225     1
     7  N     21.081615    1.416825   12.516843     1     2     8    11
     8  CA    20.448027    0.566750   11.577549     2     7     9    12    13
     9  C     20.902533   -0.905282   11.662063     3     8    10    14
    10  O     20.672965   -1.713919   10.714896     5     9
    11  HN    22.047316    1.665477   12.354788     4     7
    12  H     19.341130    0.558114   11.624778     6     8
    13  H     20.736112    0.970225   10.576508     6     8
    14  N     21.796511   -1.288538   12.622737     1     9    15    18
    15  CA    22.487530   -2.535100   12.626840     2    14    16    19    20
    16  C     21.682313   -3.642126   13.265984     3    15    17    21
    17  O     20.617600   -3.537228   13.880473     5    16
    18  HN    21.799668   -0.762058   13.482533     4    14
    19  H     22.682616   -2.847877   11.564674     6    15
    20  H     23.518353   -2.405787   13.068921     6    15
    21  N     22.337285   -4.878954   13.247305     1    16    22    25
    22  CA    21.731844   -6.082570   13.654978     2    21    23    26    27
    23  C     21.898497   -7.106528   12.557538     3    22    24    28
    24  O     21.374129   -6.851325   11.435742     5    23
    25  HN    23.341123   -4.925628   12.969932     4    21
    26  H     22.151785   -6.415896   14.652608     6    22
    27  H     20.604391   -5.990729   13.816342     6    22
    28  N     22.450003   -8.302024   12.875284     1    23    29    32
    29  CA    22.620129   -9.434467   11.963980     2    28    30    33    34
    30  C     21.414173  -10.151085   11.459879     3    29    31    35
    31  O     20.262408   -9.846867   11.815381     5    30
    32  HN    22.547736   -8.499588   13.871470     4    28
    33  H     23.193583   -9.054822   11.093884     6    29
    34  H     23.286392  -10.180596   12.576733     6    29
    35  N     21.742298  -11.276140   10.758182     1    30    36    39
    36  CA    20.813186  -12.284903   10.180898     2    35    37    40    41
    37  C     20.097382  -13.116682   11.207577     3    36    38    42
    38  O     20.329026  -13.051129   12.412247     5    37
    39  HN    22.706876  -11.592930   10.503129     4    35
    40  H     19.929030  -11.773868    9.643120     6    36
    41  H     21.416568  -12.983043    9.490037     6    36
    42  N     19.194426  -14.080502   10.715703     1    37    43    46
    43  CA    18.621834  -15.086422   11.492752     2    42    44    47    48
    44  C     17.116246  -14.799174   11.900027     3    43    45    49
    45  O     16.494699  -15.495378   12.674047     5    44
    46  HN    19.049492  -14.209107    9.676567     4    42
    47  H     18.612992  -16.019581   10.892160     6    43
    48  H     19.242754  -15.271976   12.408033     6    43
    49  N     16.581196  -13.760097   11.203781     1    44    50    53
    50  CA    15.177254  -13.430758   11.210566     2    49    51    54    55
    51  C     14.814400  -12.301190   12.189358     3    50    52    56
    52  O     15.680781  -11.416511   12.485464     5    51
    53  HN    17.054310  -13.139395   10.543507     4    49
    54  H     14.956778  -13.054809   10.195427     6    50
    55  H     14.566764  -14.299357   11.387294     6    50
    56  N     13.643223  -12.392981   12.907177     1    51    57    60
    57  CA    13.221702  -11.474461   13.910248     2    56    58    61    62
    58  C     12.546867  -10.213753   13.314038     3    57    59    63
    59  O     12.504310   -9.934410   12.084314     5    58
    60  HN    12.871621  -13.106480   12.669077     4    56
    61  H     12.419109  -11.983041   14.506844     6    57
    62  H     14.066344  -11.209171   14.594145     6    57
    63  N     12.028771   -9.358127   14.233243     1    58    64    67
    64  CA    11.368164   -8.088072   14.013327     2    63    65    68    69
    65  C     11.297559   -7.329432   15.379144     3    64    66    70
    66  O     10.166246   -7.203769   15.936798     5    65
    67  HN    11.966239   -9.542904   15.266380     4    63
    68  H     11.921971   -7.441307   13.337345     6    64
    69  H     10.323690   -8.099448   13.697436     6    64
    70  N     12.430514   -6.910008   15.939783     1    65    71    74
    71  CA    12.623339   -6.192086   17.206662     2    70    72    75    76
    72  C     13.463398   -4.882002   16.936802     3    71    73    77
    73  O     13.204010   -4.139097   15.999044     5    72
    74  HN    13.307931   -7.088731   15.525317     4    70
    75  H     11.774810   -5.933688   17.860807     6    71
    76  H     13.308055   -6.826314   17.882205     6    71
    77  N     14.356033   -4.630855   17.873493     1    72    78    81
    78  CA    15.000862   -3.324689   17.875116     2    77    79    82    83
    79  C     14.787802   -2.371314   19.030812     3    78    80    84
    80  O     14.182814   -2.617359   20.061050     5    79
    81  HN    14.569603   -5.124317   18.740717     4    77
    82  H     16.094578   -3.401909   17.778205     6    78
    83  H     14.721791   -2.719938   16.903805     6    78
    84  N     15.484558   -1.225318   18.848193     1    79    85    88
    85  CA    15.529252   -0.195130   19.828119     2    84    86    89    90
    86  C     16.284033    1.032274   19.247013     3    85    87    91
    87  O     17.381796    0.998551   18.702146     5    86
    88  HN    15.654678   -0.902186   17.841517     4    84
    89  H     14.474017    0.140546   19.995794     6    85
    90  H     15.996597   -0.513211   20.742586     6    85
    91  N     15.734948    2.278083   19.467261   230    86    92    93
    92  C     16.332638    3.620138   19.166885   232    91    94    95    96
    93  HN    14.831056    2.290559   19.917668   231    91
    94  H     17.131240    3.926757   19.910649   233    92
    95  H     15.597111    4.403386   19.250613   233    92
    96  H     16.698724    3.624302   18.086262   233    92
96 12_Glycine
     1  C     23.527368  -10.424523   11.175650   224     2     4     5     6
     2  C     22.420529  -11.264943   10.491741   226     1     3     7
     3  O     22.479473  -11.449278    9.242049   227     2
     4  H     23.239568   -9.331585   11.158658   225     1
     5  H     24.499402  -10.684490   10.653495   225     1
     6  H     23.661908  -10.802758   12.278775   225     1
     7  N     21.324025  -11.648498   11.154829     1     2     8    11
     8  CA    20.186433  -12.418145   10.579418     2     7     9    12    13
     9  C     19.254126  -12.832474   11.693442     3     8    10    14
    10  O     19.755760  -13.375338   12.730223     5     9
    11  HN    21.236869  -11.379256   12.118233     4     7
    12  H     19.655891  -11.741048    9.871680     6     8
    13  H     20.568286  -13.243518    9.983670     6     8
    14  N     17.945513  -12.684717   11.361895     1     9    15    18
    15  CA    16.906032  -13.144598   12.216613     2    14    16    19    20
    16  C     16.029222  -12.094558   12.913373     3    15    17    21
    17  O     16.305197  -10.913930   13.145142     5    16
    18  HN    17.586205  -12.282789   10.502787     4    14
    19  H     16.222303  -13.773684   11.612164     6    15
    20  H     17.289662  -13.889289   13.031439     6    15
    21  N     14.826266  -12.662783   13.338978     1    16    22    25
    22  CA    13.798659  -11.883018   13.906994     2    21    23    26    27
    23  C     12.806113  -12.771236   14.663621     3    22    24    28
    24  O     13.189508  -13.708887   15.400228     5    23
    25  HN    14.645031  -13.662819   13.364856     4    21
    26  H     14.330288  -11.152347   14.541987     6    22
    27  H     13.486775  -11.169400   13.142748     6    22
    28  N     11.497156  -12.449119   14.614696     1    23    29    32
    29  CA    10.374070  -13.046960   15.239672     2    28    30    33    34
    30  C      9.152983  -13.052753   14.294277     3    29    31    35
    31  O      9.327148  -12.970223   13.068529     5    30
    32  HN    11.243776  -11.629115   14.014961     4    28
    33  H     10.628366  -14.079041   15.624468     6    29
    34  H     10.103033  -12.478061   16.088698     6    29
    35  N      7.976182  -13.404424   14.857550     1    30    36    39
    36  CA     6.833550  -13.615660   14.015272     2    35    37    40    41
    37  C      5.453165  -13.356361   14.706149     3    36    38    42
    38  O      4.422074  -13.982497   14.439587     5    37
    39  HN     7.878958  -13.772935   15.816755     4    35
    40  H      6.944616  -12.916017   13.141968     6    36
    41  H      6.893912  -14.584647   13.518818     6    36
    42  N      5.551492  -12.511350   15.816707     1    37    43    46
    43  CA     4.619408  -12.088957   16.813104     2    42    44    47    48
    44  C      4.903229  -10.660928   17.182303     3    43    45    49
    45  O      4.478854  -10.304835   18.264573     5    44
    46  HN     6.442304  -12.237209   16.200944     4    42
    47  H      3.556518  -12.120324   16.606032     6    43
    48  H      4.763779  -12.765361   17.692545     6    43
    49  N      5.630227   -9.857284   16.385966     1    44    50    53
    50  CA     5.988029   -8.493184   16.684299     2    49    51    54    55
    51  C      6.896254   -7.883755   15.566497     3    50    52    56
    52  O      7.145958   -8.487630   14.534158     5    51
    53  HN     6.009761  -10.166040   15.465266     4    49
    54  H      5.060156   -7.840901   16.705059     6    50
    55  H      6.584870   -8.384393   17.646426     6    50
    56  N      7.191983   -6.580588   15.846127     1    51    57    60
    57  CA     7.772741   -5.657876   14.976665     2    56    58    61    62
    58  C      9.263125   -5.845583   14.841982     3    57    59    63
    59  O      9.868145   -6.613961   15.640554     5    58
    60  HN     6.923431   -6.162986   16.738800     4    56
    61  H      7.349078   -5.711604   13.917969     6    57
    62  H      7.589249   -4.602122   15.303391     6    57
    63  N      9.969101   -5.126020   13.898919     1    58    64    67
    64  CA    11.387343   -5.114600   13.594813     2    63    65    68    69
    65  C     11.703311   -3.982216   12.590984     3    64    66    70
    66  O     11.034045   -2.914747   12.532281     5    65
    67  HN     9.436343   -4.606626   13.173085     4    63
    68  H     12.034105   -4.875486   14.451808     6    64
    69  H     11.629989   -6.099176   13.182196     6    64
    70  N     12.855553   -4.079726   11.841173     1    65    71    74
    71  CA    13.443852   -3.077085   10.926452     2    70    72    75    76
    72  C     13.983810   -3.804852    9.703804     3    71    73    77
    73  O     13.526336   -4.856324    9.206507     5    72
    74  HN    13.481689   -4.877860   12.073773     4    70
    75  H     12.761269   -2.298063   10.602086     6    71
    76  H     14.264761   -2.562940   11.432568     6    71
    77  N     15.057495   -3.146974    9.153371     1    72    78    81
    78  CA    15.693852   -3.569071    7.954544     2    77    79    82    83
    79  C     16.457211   -4.896704    8.038281     3    78    80    84
    80  O     17.010123   -5.223122    9.081130     5    79
    81  HN    15.164789   -2.157446    9.449051     4    77
    82  H     14.928453   -3.698051    7.228231     6    78
    83  H     16.338164   -2.853523    7.540012     6    78
    84  N     16.598530   -5.654538    6.936284     1    79    85    88
    85  CA    17.227825   -6.910799    6.919964     2    84    86    89    90
    86  C     17.780782   -7.132188    5.526666     3    85    87    91
    87  O     18.189738   -6.228511    4.844868     5    86
    88  HN    16.406547   -5.171154    6.015172     4    84
    89  H     18.016203   -7.107851    7.680224     6    85
    90  H     16.571798   -7.797245    7.162114     6    85
    91  N     18.007542   -8.430037    5.113385   230    86    92    93
    92  C     18.699323   -8.953894    3.904218   232    91    94    95    96
    93  HN    17.631964   -9.192279    5.698531   231    91
    94  H     18.808866  -10.051079    3.789914   233    92
    95  H     19.746100   -8.578744    3.855046   233    92
    96  H     18.175737   -8.656572    2.948132   233    92
96 12_Glycine
     1  C     -4.414398   -7.347383  -26.737124   224     2     4     5     6
     2  C     -3.206327   -6.965217  -25.911205   226     1     3     7
     3  O     -2.581609   -7.808495  -25.289044   227     2
     4  H     -4.649705   -6.620640  -27.544778   225     1
     5  H     -5.346471   -7.632726  -26.182510   225     1
     6  H     -4.111492   -8.313539  -27.297064   225     1
     7  N     -2.775558   -5.688104  -25.845489     1     2     8    11
     8  CA    -1.466094   -5.319237  -25.384748     2     7     9    12    13
     9  C     -0.430609   -6.175375  -26.096136     3     8    10    14
    10  O     -0.699456   -6.535116  -27.250608     5     9
    11  HN    -3.289728   -4.904113  -26.207743     4     7
    12  H     -1.336562   -4.209280  -25.664443     6     8
    13  H     -1.400247   -5.488268  -24.272306     6     8
    14  N      0.668640   -6.523518  -25.400012     1     9    15    18
    15  CA     1.710825   -7.326622  -25.944488     2    14    16    19    20
    16  C      3.046594   -7.443022  -25.273902     3    15    17    21
    17  O      3.813077   -8.364601  -25.654824     5    16
    18  HN     0.819003   -6.286013  -24.385461     4    14
    19  H      1.458398   -8.420247  -26.089480     6    15
    20  H      1.980787   -6.899490  -26.976068     6    15
    21  N      3.513181   -6.544558  -24.344264     1    16    22    25
    22  CA     4.758065   -6.636172  -23.563767     2    21    23    26    27
    23  C      4.569668   -6.284911  -22.141146     3    22    24    28
    24  O      3.512666   -6.591962  -21.536554     5    23
    25  HN     2.947144   -5.714626  -24.136580     4    21
    26  H      5.182123   -7.738826  -23.623747     6    22
    27  H      5.598885   -5.966161  -24.096937     6    22
    28  N      5.571349   -5.599762  -21.599305     1    23    29    32
    29  CA     5.619421   -5.158685  -20.228996     2    28    30    33    34
    30  C      7.003339   -5.272234  -19.525460     3    29    31    35
    31  O      7.182985   -4.458853  -18.579199     5    30
    32  HN     6.419900   -5.447308  -22.160172     4    28
    33  H      5.223060   -4.104639  -20.265610     6    29
    34  H      4.863323   -5.678620  -19.608363     6    29
    35  N      7.915117   -6.178008  -19.885471     1    30    36    39
    36  CA     9.146504   -6.314216  -19.225528     2    35    37    40    41
    37  C      9.971790   -7.662494  -19.561922     3    36    38    42
    38  O      9.291399   -8.638180  -19.997764     5    37
    39  HN     7.683081   -7.016414  -20.403749     4    35
    40  H      9.744187   -5.380882  -19.478525     6    36
    41  H      9.062012   -6.449222  -18.159077     6    36
    42  N     11.289774   -7.655723  -19.280447     1    37    43    46
    43  CA    12.126108   -8.853551  -19.286996     2    42    44    47    48
    44  C     12.076271   -9.646257  -17.982239     3    43    45    49
    45  O     12.984455   -9.537165  -17.171444     5    44
    46  HN    11.643318   -6.713150  -18.964205     4    42
    47  H     11.879959   -9.487058  -20.203521     6    43
    48  H     13.179500   -8.613504  -19.506956     6    43
    49  N     10.957799  -10.425279  -17.783822     1    44    50    53
    50  CA    10.618665  -11.368754  -16.716297     2    49    51    54    55
    51  C      9.125757  -11.240943  -16.325083     3    50    52    56
    52  O      8.309524  -10.816666  -17.190336     5    51
    53  HN    10.202325  -10.308588  -18.510756     4    49
    54  H     10.744394  -12.365801  -17.083869     6    50
    55  H     11.326928  -11.229618  -15.908852     6    50
    56  N      8.698935  -11.688016  -15.119022     1    51    57    60
    57  CA     7.456472  -11.562450  -14.461761     2    56    58    61    62
    58  C      7.572329  -11.910471  -12.943743     3    57    59    63
    59  O      7.939649  -13.048043  -12.509092     5    58
    60  HN     9.370939  -12.207844  -14.622583     4    56
    61  H      7.028212  -10.500192  -14.560928     6    57
    62  H      6.709994  -12.312597  -14.934727     6    57
    63  N      7.146681  -10.909839  -12.146868     1    58    64    67
    64  CA     7.029300  -10.964926  -10.692517     2    63    65    68    69
    65  C      7.390627   -9.627929  -10.050470     3    64    66    70
    66  O      8.159283   -8.906823  -10.618004     5    65
    67  HN     6.915187  -10.025553  -12.624175     4    63
    68  H      5.997749  -11.291091  -10.438994     6    64
    69  H      7.730892  -11.677231  -10.175322     6    64
    70  N      6.697231   -9.245629   -8.947889     1    65    71    74
    71  CA     6.678976   -7.905009   -8.462575     2    70    72    75    76
    72  C      5.969375   -6.903726   -9.416637     3    71    73    77
    73  O      5.176679   -7.298400  -10.328074     5    72
    74  HN     6.134583   -9.959007   -8.534513     4    70
    75  H      6.174164   -7.923975   -7.390588     6    71
    76  H      7.672074   -7.465022   -8.377606     6    71
    77  N      6.151042   -5.545332   -9.176070     1    72    78    81
    78  CA     5.547142   -4.354516   -9.694464     2    77    79    82    83
    79  C      3.964941   -4.394060   -9.716478     3    78    80    84
    80  O      3.333702   -4.686023   -8.616959     5    79
    81  HN     6.833621   -5.241560   -8.441792     4    77
    82  H      5.893785   -3.407030   -9.269451     6    78
    83  H      5.914268   -4.320869  -10.770619     6    78
    84  N      3.385442   -4.030604  -10.886967     1    79    85    88
    85  CA     1.958197   -3.792339  -11.106652     2    84    86    89    90
    86  C      1.417592   -4.237029  -12.486047     3    85    87    91
    87  O      0.347619   -3.782577  -12.862085     5    86
    88  HN     3.998663   -3.718879  -11.640809     4    84
    89  H      1.374034   -4.259987  -10.278554     6    85
    90  H      1.782475   -2.690561  -10.921784     6    85
    91  N      2.342586   -4.899786  -13.370987   230    86    92    93
    92  C      2.111450   -5.241357  -14.746669   232    91    94    95    96
    93  HN     3.205439   -5.178483  -12.929749   231    91
    94  H      2.964359   -4.837561  -15.343472   233    92
    95  H      1.168911   -4.682263  -15.116804   233    92
    96  H      1.966758   -6.316304  -14.967978   233    92
96 12_Glycine
     1  C    -10.460854   10.684119    3.245308   224     2     4     5     6
     2  C     -9.306843   10.399803    4.268579   226     1     3     7
     3  O     -8.325027    9.788756    3.956575   227     2
     4  H     -9.927398   11.003060    2.361627   225     1
     5  H    -11.182119   11.447402    3.592460   225     1
     6  H    -10.949072    9.722281    3.180304   225     1
     7  N     -9.667719   10.623983    5.579705     1     2     8    11
     8  CA    -8.913252   10.295560    6.793484     2     7     9    12    13
     9  C     -9.247113   11.240389    7.919832     3     8    10    14
    10  O     -9.340000   12.465110    7.711732     5     9
    11  HN   -10.616561   11.058070    5.803521     4     7
    12  H     -9.277806    9.301129    7.155729     6     8
    13  H     -7.787161   10.369455    6.591928     6     8
    14  N     -9.405141   10.705037    9.164285     1     9    15    18
    15  CA    -9.660682   11.560640   10.316357     2    14    16    19    20
    16  C     -8.456952   11.920482   11.144209     3    15    17    21
    17  O     -8.520925   12.474303   12.251085     5    16
    18  HN    -9.211486    9.737451    9.382864     4    14
    19  H    -10.299093   12.416528    9.994539     6    15
    20  H    -10.287088   10.919439   11.042282     6    15
    21  N     -7.261327   11.631641   10.621967     1    16    22    25
    22  CA    -5.997166   11.892069   11.191757     2    21    23    26    27
    23  C     -5.622881   10.771526   12.225955     3    22    24    28
    24  O     -5.978358    9.583625   11.923243     5    23
    25  HN    -7.230065   11.135649    9.744962     4    21
    26  H     -5.120448   11.796317   10.380349     6    22
    27  H     -6.070277   12.898535   11.584856     6    22
    28  N     -4.893156   11.174159   13.288935     1    23    29    32
    29  CA    -4.501679   10.295227   14.297931     2    28    30    33    34
    30  C     -4.242352   10.784218   15.699120     3    29    31    35
    31  O     -3.731146    9.991083   16.473743     5    30
    32  HN    -4.279657   12.033166   13.234061     4    28
    33  H     -5.149432    9.342612   14.263712     6    29
    34  H     -3.541263    9.792298   13.997009     6    29
    35  N     -4.502009   12.038404   15.970664     1    30    36    39
    36  CA    -4.069568   12.711839   17.255641     2    35    37    40    41
    37  C     -3.228417   13.829897   16.680383     3    36    38    42
    38  O     -2.721653   13.848188   15.578565     5    37
    39  HN    -5.028315   12.676774   15.327154     4    35
    40  H     -4.866106   13.101901   17.911951     6    36
    41  H     -3.454160   12.016779   17.894512     6    36
    42  N     -3.011346   14.870736   17.499090     1    37    43    46
    43  CA    -2.231132   16.050058   17.108097     2    42    44    47    48
    44  C     -3.128512   17.185152   16.675507     3    43    45    49
    45  O     -4.194375   17.050899   16.062064     5    44
    46  HN    -3.570966   15.067454   18.395782     4    42
    47  H     -1.579445   16.330410   17.985276     6    43
    48  H     -1.586423   15.698836   16.283125     6    43
    49  N     -2.774725   18.430686   17.078549     1    44    50    53
    50  CA    -3.534780   19.600689   17.049435     2    49    51    54    55
    51  C     -4.513492   19.681724   18.183657     3    50    52    56
    52  O     -4.993549   18.682514   18.771950     5    51
    53  HN    -1.754638   18.681313   17.155634     4    49
    54  H     -2.869742   20.495071   17.075226     6    50
    55  H     -4.262966   19.650457   16.166542     6    50
    56  N     -4.828436   20.954959   18.494278     1    51    57    60
    57  CA    -5.753069   21.350797   19.532510     2    56    58    61    62
    58  C     -7.228705   21.121848   19.337997     3    57    59    63
    59  O     -7.924494   20.895507   20.305824     5    58
    60  HN    -4.523084   21.810562   17.983114     4    56
    61  H     -5.398906   20.833457   20.457802     6    57
    62  H     -5.647163   22.398040   19.736617     6    57
    63  N     -7.713774   20.767710   18.142465     1    58    64    67
    64  CA    -8.995405   20.216103   17.796583     2    63    65    68    69
    65  C     -9.079753   18.696143   17.602207     3    64    66    70
    66  O    -10.157161   18.084839   17.479627     5    65
    67  HN    -7.164352   20.957121   17.336671     4    63
    68  H     -9.780530   20.648236   18.543409     6    64
    69  H     -9.333081   20.649373   16.798077     6    64
    70  N     -7.902330   17.980859   17.412399     1    65    71    74
    71  CA    -7.752340   16.684317   16.849427     2    70    72    75    76
    72  C     -8.159773   16.770618   15.371818     3    71    73    77
    73  O     -8.065887   17.773322   14.687716     5    72
    74  HN    -7.003675   18.403849   17.565349     4    70
    75  H     -6.668983   16.363339   16.890325     6    71
    76  H     -8.367190   16.022103   17.419320     6    71
    77  N     -8.453714   15.526576   14.792767     1    72    78    81
    78  CA    -9.028120   15.292791   13.471076     2    77    79    82    83
    79  C     -8.009069   15.509490   12.280160     3    78    80    84
    80  O     -6.799867   15.474908   12.525164     5    79
    81  HN    -8.350756   14.695749   15.277320     4    77
    82  H     -9.516243   14.307630   13.292180     6    78
    83  H     -9.851848   16.060979   13.169540     6    78
    84  N     -8.462686   15.475193   11.010560     1    79    85    88
    85  CA    -7.774722   15.266571    9.765810     2    84    86    89    90
    86  C     -7.462312   16.499527    8.994113     3    85    87    91
    87  O     -7.021132   17.512736    9.556001     5    86
    88  HN    -9.517814   15.579938   10.756276     4    84
    89  H     -6.772308   14.727255    9.903982     6    85
    90  H     -8.430669   14.626983    9.065252     6    85
    91  N     -7.607230   16.435843    7.622027   230    86    92    93
    92  C     -6.980011   17.476916    6.843301   232    91    94    95    96
    93  HN    -7.779241   15.551422    7.179341   231    91
    94  H     -7.682146   17.921440    5.977451   233    92
    95  H     -6.015127   17.069998    6.439784   233    92
    96  H     -6.802289   18.383735    7.466615   233    92
96 12_Glycine
     1  C     12.178617    9.748987  -20.968537   224     2     4     5     6
     2  C     12.223495    8.795197  -19.803768   226     1     3     7
     3  O     11.632311    9.115834  -18.724035   227     2
     4  H     13.142605   10.307193  -20.888564   225     1
     5  H     11.349060   10.464150  -21.017784   225     1
     6  H     12.182636    9.220919  -21.948752   225     1
     7  N     12.985193    7.722900  -19.927785     1     2     8    11
     8  CA    13.126752    6.701585  -18.897235     2     7     9    12    13
     9  C     12.167376    5.513186  -19.141755     3     8    10    14
    10  O     11.731504    5.407935  -20.259840     5     9
    11  HN    13.600960    7.628903  -20.756449     4     7
    12  H     14.207249    6.286493  -18.910255     6     8
    13  H     12.855293    7.166601  -17.883530     6     8
    14  N     11.943909    4.587943  -18.153957     1     9    15    18
    15  CA    11.225937    3.329594  -18.291456     2    14    16    19    20
    16  C     11.833142    2.128963  -17.488250     3    15    17    21
    17  O     11.151359    1.124165  -17.272947     5    16
    18  HN    12.586669    4.749788  -17.389417     4    14
    19  H     10.206794    3.430837  -17.895243     6    15
    20  H     11.084962    3.041814  -19.442485     6    15
    21  N     13.121498    2.144478  -17.115653     1    16    22    25
    22  CA    13.716000    0.992871  -16.423680     2    21    23    26    27
    23  C     15.237346    1.162849  -16.289191     3    22    24    28
    24  O     15.949056    1.699372  -17.177959     5    23
    25  HN    13.660366    3.005163  -17.181171     4    21
    26  H     13.259777    0.802092  -15.426298     6    22
    27  H     13.561614    0.037372  -16.967836     6    22
    28  N     15.674186    0.557887  -15.192020     1    23    29    32
    29  CA    17.022997    0.339031  -14.892982     2    28    30    33    34
    30  C     17.418847    0.936878  -13.565103     3    29    31    35
    31  O     16.726364    1.874912  -13.074628     5    30
    32  HN    15.060783    0.032834  -14.558257     4    28
    33  H     17.246159   -0.695412  -14.925509     6    29
    34  H     17.689801    0.814980  -15.621693     6    29
    35  N     18.593636    0.613114  -12.999557     1    30    36    39
    36  CA    19.187525    1.285468  -11.874261     2    35    37    40    41
    37  C     18.329444    0.978166  -10.608168     3    36    38    42
    38  O     18.468645   -0.114638  -10.113341     5    37
    39  HN    19.321356    0.033952  -13.567217     4    35
    40  H     20.251047    1.061271  -11.701251     6    36
    41  H     19.111821    2.384550  -11.986598     6    36
    42  N     17.450244    1.911673  -10.118962     1    37    43    46
    43  CA    16.556138    1.800022   -9.028719     2    42    44    47    48
    44  C     15.267773    2.676524   -9.102752     3    43    45    49
    45  O     14.657348    3.025288   -8.066288     5    44
    46  HN    17.501124    2.849658  -10.489336     4    42
    47  H     16.246916    0.755921   -8.967048     6    43
    48  H     17.098375    2.034001   -8.054124     6    43
    49  N     14.832075    3.036334  -10.319449     1    44    50    53
    50  CA    13.596594    3.638705  -10.667899     2    49    51    54    55
    51  C     13.238293    3.592164  -12.123335     3    50    52    56
    52  O     13.492037    2.599383  -12.834325     5    51
    53  HN    15.382603    2.570216  -11.069340     4    49
    54  H     12.756852    3.058101  -10.210338     6    50
    55  H     13.498230    4.673671  -10.377689     6    50
    56  N     12.790892    4.737223  -12.714795     1    51    57    60
    57  CA    12.416718    4.866950  -14.145942     2    56    58    61    62
    58  C     12.342949    6.263085  -14.665139     3    57    59    63
    59  O     11.501591    6.512109  -15.508695     5    58
    60  HN    12.574836    5.580588  -12.172265     4    56
    61  H     13.097024    4.241151  -14.726668     6    57
    62  H     11.424938    4.368985  -14.179897     6    57
    63  N     13.277957    7.188377  -14.285064     1    58    64    67
    64  CA    13.357645    8.494150  -14.789086     2    63    65    68    69
    65  C     12.660495    9.571685  -14.021706     3    64    66    70
    66  O     13.187022   10.271458  -13.169870     5    65
    67  HN    14.113319    7.005154  -13.758210     4    63
    68  H     14.399061    8.881011  -14.660427     6    64
    69  H     13.093327    8.604374  -15.896712     6    64
    70  N     11.414854    9.828563  -14.525506     1    65    71    74
    71  CA    10.460418   10.811750  -13.999809     2    70    72    75    76
    72  C      9.546669   10.217541  -12.946568     3    71    73    77
    73  O      9.945348    9.360529  -12.127843     5    72
    74  HN    10.917618    9.156308  -15.140896     4    70
    75  H     11.059941   11.607028  -13.485272     6    71
    76  H      9.902214   11.321732  -14.846608     6    71
    77  N      8.246377   10.680709  -12.887356     1    72    78    81
    78  CA     7.237890   10.203897  -11.963801     2    77    79    82    83
    79  C      6.834793    8.791163  -12.389796     3    78    80    84
    80  O      7.208233    8.361413  -13.478280     5    79
    81  HN     7.941677   11.344635  -13.623932     4    77
    82  H      7.486653   10.341450  -10.866961     6    78
    83  H      6.301872   10.911494  -12.180722     6    78
    84  N      6.089123    8.101617  -11.541477     1    79    85    88
    85  CA     5.425382    6.832226  -11.534812     2    84    86    89    90
    86  C      3.955666    6.810254  -11.163004     3    85    87    91
    87  O      3.426163    5.729928  -11.055445     5    86
    88  HN     5.976648    8.592738  -10.684214     4    84
    89  H      5.532466    6.380026  -12.525053     6    85
    90  H      5.983509    6.194852  -10.808145     6    85
    91  N      3.358860    7.990094  -10.944558   230    86    92    93
    92  C      1.949402    8.080495  -10.623789   232    91    94    95    96
    93  HN     3.870265    8.840694  -11.244773   231    91
    94  H      1.809951    7.617404   -9.636353   233    92
    95  H      1.326064    7.680293  -11.416920   233    92
    96  H      1.630715    9.197746  -10.536991   233    92
96 12_Glycine
     1  C     11.393033   -2.979500   -9.835250   224     2     4     5     6
     2  C     10.519603   -4.168336   -9.774462   226     1     3     7
     3  O      9.289596   -4.118381  -10.080122   227     2
     4  H     12.240178   -2.883419   -9.127970   225     1
     5  H     10.907170   -1.962048   -9.647356   225     1
     6  H     11.922400   -2.965380  -10.866219   225     1
     7  N     11.152887   -5.271319   -9.422466     1     2     8    11
     8  CA    10.605445   -6.570481   -9.368904     2     7     9    12    13
     9  C     11.613341   -7.624409   -9.401356     3     8    10    14
    10  O     12.705562   -7.520636  -10.019488     5     9
    11  HN    12.104076   -5.245805   -9.018649     4     7
    12  H     10.029479   -6.748089   -8.437493     6     8
    13  H      9.956401   -6.873652  -10.185066     6     8
    14  N     11.406289   -8.710928   -8.651268     1     9    15    18
    15  CA    12.246753   -9.839665   -8.514020     2    14    16    19    20
    16  C     12.624245  -10.696705   -9.779781     3    15    17    21
    17  O     11.925211  -10.694952  -10.810341     5    16
    18  HN    10.468832   -8.828013   -8.211733     4    14
    19  H     13.173893   -9.585652   -7.882230     6    15
    20  H     11.694212  -10.585284   -7.865052     6    15
    21  N     13.727421  -11.434675   -9.610754     1    16    22    25
    22  CA    14.257057  -12.279700  -10.681128     2    21    23    26    27
    23  C     15.663032  -12.693639  -10.341400     3    22    24    28
    24  O     15.886228  -13.899394  -10.222127     5    23
    25  HN    14.089319  -11.543658   -8.640414     4    21
    26  H     13.729762  -13.275881  -10.675239     6    22
    27  H     14.201635  -11.794571  -11.706524     6    22
    28  N     16.586040  -11.752880  -10.098917     1    23    29    32
    29  CA    17.924343  -12.114269   -9.791250     2    28    30    33    34
    30  C     18.480267  -11.568218   -8.456273     3    29    31    35
    31  O     19.703221  -11.696839   -8.147751     5    30
    32  HN    16.363590  -10.787206  -10.364517     4    28
    33  H     18.149654  -13.165892   -9.997055     6    29
    34  H     18.484601  -11.547723  -10.528586     6    29
    35  N     17.613997  -10.957839   -7.641208     1    30    36    39
    36  CA    17.981435  -10.616329   -6.264263     2    35    37    40    41
    37  C     17.211268   -9.500938   -5.545464     3    36    38    42
    38  O     17.332719   -9.324878   -4.316615     5    37
    39  HN    16.614471  -10.852978   -7.913587     4    35
    40  H     17.905566  -11.489016   -5.596575     6    36
    41  H     19.004631  -10.298235   -6.209233     6    36
    42  N     16.384671   -8.699676   -6.271754     1    37    43    46
    43  CA    15.572555   -7.588989   -5.767515     2    42    44    47    48
    44  C     14.099415   -8.061399   -5.582383     3    43    45    49
    45  O     13.761874   -9.242127   -5.457907     5    44
    46  HN    15.967984   -8.958978   -7.182928     4    42
    47  H     15.883620   -7.312316   -4.740270     6    43
    48  H     15.564335   -6.796405   -6.586478     6    43
    49  N     13.268767   -7.038903   -5.613635     1    44    50    53
    50  CA    11.892872   -7.106176   -5.199989     2    49    51    54    55
    51  C     11.188208   -5.787236   -5.489334     3    50    52    56
    52  O     11.860357   -4.841145   -5.964483     5    51
    53  HN    13.488126   -6.063364   -6.006054     4    49
    54  H     11.284044   -7.940816   -5.685636     6    50
    55  H     11.799640   -7.077315   -4.116401     6    50
    56  N      9.843086   -5.712662   -5.262153     1    51    57    60
    57  CA     9.093459   -4.585709   -5.679498     2    56    58    61    62
    58  C      8.846958   -3.477409   -4.582471     3    57    59    63
    59  O      9.398122   -3.513851   -3.465148     5    58
    60  HN     9.345836   -6.478437   -4.791062     4    56
    61  H      9.558406   -4.016542   -6.508777     6    57
    62  H      8.062392   -4.918332   -5.954531     6    57
    63  N      7.738775   -2.735441   -4.794446     1    58    64    67
    64  CA     7.320899   -1.681268   -3.898062     2    63    65    68    69
    65  C      8.234212   -0.470333   -3.896238     3    64    66    70
    66  O      9.019105   -0.212398   -4.811403     5    65
    67  HN     7.177787   -2.851492   -5.672730     4    63
    68  H      6.346384   -1.260302   -4.343799     6    64
    69  H      7.231731   -2.074134   -2.903889     6    64
    70  N      8.228185    0.338326   -2.761071     1    65    71    74
    71  CA     9.000432    1.524098   -2.501770     2    70    72    75    76
    72  C      8.788564    1.977032   -1.090903     3    71    73    77
    73  O      7.667849    1.863061   -0.550391     5    72
    74  HN     7.449648    0.116287   -2.140658     4    70
    75  H     10.162924    1.394273   -2.723945     6    71
    76  H      8.731287    2.292621   -3.244681     6    71
    77  N      9.903438    2.391592   -0.479723     1    72    78    81
    78  CA     9.998968    2.751929    0.916723     2    77    79    82    83
    79  C     10.676343    4.083641    0.995956     3    78    80    84
    80  O     10.894446    4.747922   -0.047562     5    79
    81  HN    10.661670    2.727279   -1.078436     4    77
    82  H      8.987952    2.644229    1.361564     6    78
    83  H     10.662724    1.974000    1.417892     6    78
    84  N     10.735493    4.617154    2.274554     1    79    85    88
    85  CA    11.126226    5.980251    2.628636     2    84    86    89    90
    86  C     10.862425    6.200387    4.114552     3    85    87    91
    87  O     11.622314    6.901455    4.769523     5    86
    88  HN    10.436456    4.091232    3.068539     4    84
    89  H     12.212135    6.181879    2.601677     6    85
    90  H     10.677144    6.723277    1.906944     6    85
    91  N      9.685597    5.676946    4.527714   230    86    92    93
    92  C      9.089973    6.020737    5.820478   232    91    94    95    96
    93  HN     9.057306    5.187762    3.864123   231    91
    94  H      9.152708    5.166635    6.598332   233    92
    95  H      7.987293    6.180693    5.691220   233    92
    96  H      9.419575    6.940266    6.251363   233    92
96 12_Glycine
     1  C     13.248549    0.186443  -14.997936   224     2     4     5     6
     2  C     11.906852   -0.055424  -14.449947   226     1     3     7
     3  O     10.964110   -0.576000  -15.107350   227     2
     4  H     13.869422   -0.559361  -14.575713   225     1
     5  H     13.746970    1.153802  -14.725725   225     1
     6  H     13.231419    0.016603  -16.108294   225     1
     7  N     11.656385    0.463029  -13.223533     1     2     8    11
     8  CA    10.322851    0.570505  -12.650702     2     7     9    12    13
     9  C     10.175744   -0.601077  -11.688616     3     8    10    14
    10  O     10.910507   -0.801554  -10.733232     5     9
    11  HN    12.429764    0.628742  -12.567640     4     7
    12  H     10.137120    1.512431  -12.097546     6     8
    13  H      9.521384    0.507402  -13.432948     6     8
    14  N      8.983224   -1.204590  -11.819997     1     9    15    18
    15  CA     8.660397   -2.423087  -11.187518     2    14    16    19    20
    16  C      9.517795   -3.630237  -11.543606     3    15    17    21
    17  O      9.871485   -3.848675  -12.684761     5    16
    18  HN     8.204200   -0.761516  -12.387703     4    14
    19  H      8.540967   -2.224357  -10.108445     6    15
    20  H      7.618138   -2.671224  -11.461879     6    15
    21  N      9.856185   -4.478515  -10.520133     1    16    22    25
    22  CA    10.612418   -5.669803  -10.735168     2    21    23    26    27
    23  C     12.140102   -5.605507  -10.648377     3    22    24    28
    24  O     12.808975   -6.514113  -11.173499     5    23
    25  HN     9.216170   -4.622698   -9.748849     4    21
    26  H     10.293889   -6.398016   -9.985569     6    22
    27  H     10.425947   -6.205454  -11.700462     6    22
    28  N     12.627622   -4.552806   -9.844973     1    23    29    32
    29  CA    13.975757   -4.191320   -9.456777     2    28    30    33    34
    30  C     14.303945   -3.978637   -7.990733     3    29    31    35
    31  O     15.053075   -3.068981   -7.527580     5    30
    32  HN    11.968365   -3.937861   -9.320276     4    28
    33  H     14.720132   -4.900535   -9.866143     6    29
    34  H     14.245832   -3.207032   -9.886931     6    29
    35  N     13.557412   -4.828350   -7.157998     1    30    36    39
    36  CA    13.604069   -4.886657   -5.714451     2    35    37    40    41
    37  C     12.347457   -5.534653   -5.102763     3    36    38    42
    38  O     12.398284   -6.439660   -4.280799     5    37
    39  HN    13.009400   -5.566440   -7.594290     4    35
    40  H     14.457507   -5.504722   -5.377665     6    36
    41  H     13.684797   -3.916216   -5.190553     6    36
    42  N     11.160263   -5.152821   -5.658781     1    37    43    46
    43  CA     9.841048   -5.863124   -5.405298     2    42    44    47    48
    44  C      8.932249   -5.747843   -6.643288     3    43    45    49
    45  O      9.404980   -6.106753   -7.737516     5    44
    46  HN    11.067763   -4.414375   -6.376979     4    42
    47  H     10.022167   -6.900642   -5.071820     6    43
    48  H      9.348581   -5.429699   -4.488898     6    43
    49  N      7.578994   -5.522939   -6.407948     1    44    50    53
    50  CA     6.548105   -5.405571   -7.391138     2    49    51    54    55
    51  C      6.669338   -4.136290   -8.151383     3    50    52    56
    52  O      7.716394   -3.511791   -8.305047     5    51
    53  HN     7.222302   -5.551076   -5.421455     4    49
    54  H      6.649593   -6.276937   -8.108266     6    50
    55  H      5.583268   -5.444781   -6.911901     6    50
    56  N      5.507000   -3.646631   -8.636699     1    51    57    60
    57  CA     5.382730   -2.297364   -9.170647     2    56    58    61    62
    58  C      5.401326   -1.281660   -7.996812     3    57    59    63
    59  O      5.459104   -1.755703   -6.892703     5    58
    60  HN     4.725041   -4.285531   -8.730907     4    56
    61  H      6.122070   -2.173412   -9.987446     6    57
    62  H      4.359374   -2.137279   -9.651412     6    57
    63  N      5.260028    0.044080   -8.281051     1    58    64    67
    64  CA     5.190278    1.113764   -7.335502     2    63    65    68    69
    65  C      6.547576    1.739863   -6.969576     3    64    66    70
    66  O      7.642814    1.228943   -7.112395     5    65
    67  HN     5.226748    0.350319   -9.292806     4    63
    68  H      4.432703    1.849394   -7.729055     6    64
    69  H      4.713132    0.788906   -6.396211     6    64
    70  N      6.439789    3.020221   -6.414901     1    65    71    74
    71  CA     7.510789    3.844962   -5.875684     2    70    72    75    76
    72  C      8.188680    3.121801   -4.687749     3    71    73    77
    73  O      7.650804    2.259035   -4.003463     5    72
    74  HN     5.502497    3.477749   -6.396179     4    70
    75  H      8.203717    4.221156   -6.626196     6    71
    76  H      7.011930    4.683269   -5.308637     6    71
    77  N      9.323455    3.675998   -4.270192     1    72    78    81
    78  CA    10.160280    3.336895   -3.095456     2    77    79    82    83
    79  C     11.060757    4.509947   -2.583079     3    78    80    84
    80  O     10.706074    5.657137   -2.760027     5    79
    81  HN     9.606520    4.522920   -4.760945     4    77
    82  H      9.565630    3.052584   -2.248207     6    78
    83  H     10.841880    2.465916   -3.376671     6    78
    84  N     12.157922    4.231369   -1.872679     1    79    85    88
    85  CA    13.191932    5.128419   -1.278008     2    84    86    89    90
    86  C     12.980891    5.563962    0.176324     3    85    87    91
    87  O     11.923794    5.212033    0.690589     5    86
    88  HN    12.343590    3.251903   -1.620963     4    84
    89  H     14.139376    4.601154   -1.393122     6    85
    90  H     13.300393    6.014891   -1.909715     6    85
    91  N     13.936585    6.167359    0.875646   230    86    92    93
    92  C     13.864648    6.649731    2.216238   232    91    94    95    96
    93  HN    14.867950    6.310112    0.347987   231    91
    94  H     14.777719    7.184398    2.525213   233    92
    95  H     13.644296    5.731338    2.877053   233    92
    96  H     13.026964    7.349187    2.374660   233    92
96 12_Glycine
     1  C     10.154610   -3.799249   16.664870   224     2     4     5     6
     2  C     10.828248   -2.708624   15.841251   226     1     3     7
     3  O     10.328159   -1.619454   15.664853   227     2
     4  H     10.041853   -4.812984   16.216388   225     1
     5  H      9.174734   -3.392591   16.985671   225     1
     6  H     10.862493   -3.991405   17.473241   225     1
     7  N     11.945754   -3.055706   15.204240     1     2     8    11
     8  CA    12.694298   -2.254554   14.324715     2     7     9    12    13
     9  C     14.103994   -1.873035   14.894049     3     8    10    14
    10  O     14.385536   -1.976314   16.104510     5     9
    11  HN    12.409972   -3.961141   15.437241     4     7
    12  H     12.861929   -2.777000   13.312641     6     8
    13  H     12.153865   -1.262734   14.052155     6     8
    14  N     15.044005   -1.522933   13.996268     1     9    15    18
    15  CA    16.445371   -1.154645   14.257601     2    14    16    19    20
    16  C     16.545354    0.168529   14.964836     3    15    17    21
    17  O     16.007598    1.220029   14.426986     5    16
    18  HN    14.853325   -1.418349   12.986903     4    14
    19  H     16.914195   -1.892274   14.893607     6    15
    20  H     17.100117   -1.200824   13.350771     6    15
    21  N     17.154776    0.201513   16.183150     1    16    22    25
    22  CA    17.228807    1.422439   17.076981     2    21    23    26    27
    23  C     16.883760    0.984481   18.522523     3    22    24    28
    24  O     17.774870    0.911607   19.407296     5    23
    25  HN    17.449175   -0.625727   16.678386     4    21
    26  H     18.263125    1.808588   17.198441     6    22
    27  H     16.559597    2.315712   16.696816     6    22
    28  N     15.612409    0.606596   18.699180     1    23    29    32
    29  CA    15.022262    0.079364   19.898883     2    28    30    33    34
    30  C     14.745876   -1.427253   19.960728     3    29    31    35
    31  O     15.226502   -2.247437   19.179710     5    30
    32  HN    14.857546    0.656105   17.944090     4    28
    33  H     15.623007    0.211381   20.831724     6    29
    34  H     14.062314    0.571759   20.140874     6    29
    35  N     13.997795   -1.835293   21.009146     1    30    36    39
    36  CA    13.483277   -3.061038   21.570481     2    35    37    40    41
    37  C     12.029143   -3.455027   21.426105     3    36    38    42
    38  O     11.660681   -4.523554   21.961013     5    37
    39  HN    13.571037   -1.051168   21.594386     4    35
    40  H     14.132307   -3.930532   21.143517     6    36
    41  H     13.752477   -3.034105   22.666968     6    36
    42  N     11.140634   -2.606311   20.788147     1    37    43    46
    43  CA     9.694161   -2.836502   20.790518     2    42    44    47    48
    44  C      9.023134   -1.831891   21.660310     3    43    45    49
    45  O      9.672682   -1.357432   22.664698     5    44
    46  HN    11.542835   -1.771815   20.335158     4    42
    47  H      9.290099   -2.865135   19.786794     6    43
    48  H      9.605652   -3.894866   21.137280     6    43
    49  N      7.798210   -1.416309   21.338181     1    44    50    53
    50  CA     7.088145   -0.418972   22.098095     2    49    51    54    55
    51  C      6.075400    0.316717   21.197334     3    50    52    56
    52  O      6.420414    0.727064   20.088858     5    51
    53  HN     7.276780   -1.895709   20.583008     4    49
    54  H      6.513605   -0.866619   22.958465     6    50
    55  H      7.833181    0.324341   22.366213     6    50
    56  N      4.850981    0.594435   21.717280     1    51    57    60
    57  CA     3.849626    1.360382   20.991793     2    56    58    61    62
    58  C      2.930528    0.482172   20.116188     3    57    59    63
    59  O      2.904952   -0.800672   20.244126     5    58
    60  HN     4.650527    0.459388   22.745376     4    56
    61  H      3.170605    1.858288   21.752346     6    57
    62  H      4.271536    2.164885   20.351640     6    57
    63  N      2.271770    1.023560   19.064197     1    58    64    67
    64  CA     1.464380    0.324579   18.089356     2    63    65    68    69
    65  C      1.344802    0.861450   16.662834     3    64    66    70
    66  O      0.415911    0.416866   15.893414     5    65
    67  HN     2.498345    2.022640   18.876043     4    63
    68  H      1.659366   -0.774794   18.080287     6    64
    69  H      0.433199    0.581365   18.413845     6    64
    70  N      2.381690    1.653298   16.224347     1    65    71    74
    71  CA     2.270932    2.283219   14.873272     2    70    72    75    76
    72  C      3.329435    1.913757   13.818159     3    71    73    77
    73  O      3.545058    2.665341   12.854975     5    72
    74  HN     3.255082    1.590672   16.759606     4    70
    75  H      1.285050    2.096489   14.440704     6    71
    76  H      2.364179    3.441502   15.011949     6    71
    77  N      4.010515    0.719480   13.950329     1    72    78    81
    78  CA     4.999650    0.059722   13.081925     2    77    79    82    83
    79  C      5.474374   -1.247226   13.668074     3    78    80    84
    80  O      4.866762   -1.946666   14.438929     5    79
    81  HN     3.740694    0.127568   14.760709     4    77
    82  H      4.506715   -0.203145   12.131160     6    78
    83  H      5.794108    0.814133   12.740304     6    78
    84  N      6.721987   -1.665188   13.242236     1    79    85    88
    85  CA     7.376565   -2.880458   13.557404     2    84    86    89    90
    86  C      8.750342   -3.014486   12.939373     3    85    87    91
    87  O      9.280970   -1.999425   12.471131     5    86
    88  HN     7.118314   -1.147186   12.475597     4    84
    89  H      7.474040   -3.003794   14.679711     6    85
    90  H      6.769695   -3.791270   13.252726     6    85
    91  N      9.357424   -4.225193   12.922043   230    86    92    93
    92  C     10.546730   -4.712444   12.234020   232    91    94    95    96
    93  HN     8.868141   -5.026643   13.354080   231    91
    94  H     11.392337   -4.052232   12.395687   233    92
    95  H     10.309041   -4.792821   11.150391   233    92
    96  H     10.773665   -5.717955   12.596286   233    92
96 12_Glycine
     1  C     14.674827   -2.340286   13.312733   224     2     4     5     6
     2  C     14.182059   -3.491332   14.213155   226     1     3     7
     3  O     13.159438   -4.083034   13.894471   227     2
     4  H     13.923517   -2.250826   12.410111   225     1
     5  H     15.722770   -2.377800   12.842371   225     1
     6  H     14.543173   -1.382661   13.940548   225     1
     7  N     14.938542   -3.629707   15.304391     1     2     8    11
     8  CA    14.723854   -4.676498   16.300925     2     7     9    12    13
     9  C     15.960784   -5.067007   17.051972     3     8    10    14
    10  O     15.875775   -5.512449   18.271684     5     9
    11  HN    15.611486   -2.866330   15.554995     4     7
    12  H     14.013078   -4.395754   17.062636     6     8
    13  H     14.261483   -5.626683   15.937187     6     8
    14  N     17.160372   -4.666417   16.595899     1     9    15    18
    15  CA    18.478512   -4.782334   17.215455     2    14    16    19    20
    16  C     18.547973   -4.087423   18.556116     3    15    17    21
    17  O     18.086620   -2.971609   18.772011     5    16
    18  HN    17.317215   -4.135453   15.706861     4    14
    19  H     18.762967   -5.848013   17.300293     6    15
    20  H     19.281812   -4.374797   16.488066     6    15
    21  N     19.386970   -4.680052   19.429859     1    16    22    25
    22  CA    19.773851   -4.017227   20.601211     2    21    23    26    27
    23  C     18.688811   -3.894749   21.707501     3    22    24    28
    24  O     18.670896   -2.834538   22.404664     5    23
    25  HN    19.742931   -5.615075   19.247261     4    21
    26  H     20.569019   -4.621731   21.096894     6    22
    27  H     20.293549   -3.055877   20.399836     6    22
    28  N     17.911538   -4.961789   21.865553     1    23    29    32
    29  CA    16.917244   -5.132529   22.914716     2    28    30    33    34
    30  C     15.936219   -6.221968   22.385950     3    29    31    35
    31  O     15.953285   -6.661083   21.237532     5    30
    32  HN    17.881470   -5.761317   21.217502     4    28
    33  H     17.400819   -5.444580   23.852836     6    29
    34  H     16.377669   -4.155294   22.995906     6    29
    35  N     14.985834   -6.603030   23.313945     1    30    36    39
    36  CA    14.095509   -7.722720   23.130354     2    35    37    40    41
    37  C     12.697201   -7.206542   22.903975     3    36    38    42
    38  O     12.503409   -6.047693   22.467466     5    37
    39  HN    14.906816   -6.054438   24.194805     4    35
    40  H     14.316742   -8.351728   22.294439     6    36
    41  H     14.218315   -8.389182   24.049854     6    36
    42  N     11.681841   -8.075248   23.038227     1    37    43    46
    43  CA    10.234424   -7.930458   22.834850     2    42    44    47    48
    44  C      9.678077   -6.895073   23.886447     3    43    45    49
    45  O      9.872205   -7.145237   25.064128     5    44
    46  HN    11.983144   -9.044822   23.232937     4    42
    47  H      9.993839   -7.587306   21.807317     6    43
    48  H      9.758403   -8.886683   22.986052     6    43
    49  N      8.965447   -5.821940   23.366620     1    44    50    53
    50  CA     8.132620   -4.879821   24.202220     2    49    51    54    55
    51  C      7.904829   -3.544666   23.494824     3    50    52    56
    52  O      8.538829   -3.181398   22.493853     5    51
    53  HN     8.946732   -5.526784   22.338145     4    49
    54  H      7.177306   -5.333554   24.544768     6    50
    55  H      8.612962   -4.717986   25.195559     6    50
    56  N      6.994072   -2.746142   24.137759     1    51    57    60
    57  CA     6.745408   -1.427828   23.704903     2    56    58    61    62
    58  C      5.742924   -1.243157   22.616919     3    57    59    63
    59  O      4.813573   -2.053338   22.363561     5    58
    60  HN     6.387698   -3.066131   24.856321     4    56
    61  H      6.352010   -0.824976   24.583923     6    57
    62  H      7.742188   -0.913612   23.373405     6    57
    63  N      5.840841   -0.020618   22.030609     1    58    64    67
    64  CA     4.952754    0.608147   21.096414     2    63    65    68    69
    65  C      5.523182    1.062312   19.726913     3    64    66    70
    66  O      4.800849    1.576826   18.877922     5    65
    67  HN     6.469966    0.682331   22.477446     4    63
    68  H      4.047489   -0.005252   20.914845     6    64
    69  H      4.472505    1.521651   21.499393     6    64
    70  N      6.857600    0.961954   19.654587     1    65    71    74
    71  CA     7.745800    1.479483   18.618959     2    70    72    75    76
    72  C      8.419957    0.225827   18.032766     3    71    73    77
    73  O      9.635528    0.261965   17.826096     5    72
    74  HN     7.390116    0.303449   20.259702     4    70
    75  H      7.184882    1.983925   17.805727     6    71
    76  H      8.518142    2.232150   18.985984     6    71
    77  N      7.622480   -0.914633   17.833470     1    72    78    81
    78  CA     8.232170   -2.166302   17.459823     2    77    79    82    83
    79  C      8.628756   -2.142271   15.982267     3    78    80    84
    80  O      8.413561   -1.150503   15.240028     5    79
    81  HN     6.594556   -0.973151   17.825555     4    77
    82  H      9.253482   -2.305255   18.057016     6    78
    83  H      7.568912   -3.034304   17.615116     6    78
    84  N      9.040854   -3.330457   15.524888     1    79    85    88
    85  CA     9.432785   -3.662027   14.179285     2    84    86    89    90
    86  C     10.449558   -2.615861   13.687492     3    85    87    91
    87  O     11.203077   -2.089041   14.547069     5    86
    88  HN     8.751040   -4.171966   16.063194     4    84
    89  H     10.018437   -4.613943   14.184942     6    85
    90  H      8.593987   -3.870729   13.489697     6    85
    91  N     10.388631   -2.304475   12.365296   230    86    92    93
    92  C     10.890261   -1.135401   11.735908   232    91    94    95    96
    93  HN     9.898165   -2.952128   11.733782   231    91
    94  H     10.709275   -1.215223   10.607198   233    92
    95  H     11.959971   -1.021284   11.945027   233    92
    96  H     10.350465   -0.218249   12.097534   233    92