1iye.pdb

很多二维 三维几何计算算法 C++ 类库

ATOM     76  N   GLY A  12      23.210  36.724  22.346  1.00 22.61           N  
ATOM     77  CA  GLY A  12      23.195  37.435  23.612  1.00 23.31           C  
ATOM     78  C   GLY A  12      21.910  38.148  24.001  1.00 25.81           C  
ATOM     79  O   GLY A  12      21.820  38.693  25.101  1.00 25.62           O  
ATOM     80  N   GLU A  13      20.909  38.156  23.127  1.00 25.92           N  
ATOM     81  CA  GLU A  13      19.662  38.836  23.467  1.00 26.60           C  
ATOM     82  C   GLU A  13      18.411  38.043  23.097  1.00 25.27           C  
ATOM     83  O   GLU A  13      18.409  37.308  22.113  1.00 24.24           O  
ATOM     84  CB  GLU A  13      19.637  40.209  22.801  1.00 28.96           C  
ATOM     85  CG  GLU A  13      19.714  40.168  21.293  1.00 34.15           C  
ATOM     86  CD  GLU A  13      19.820  41.555  20.680  1.00 38.04           C  
ATOM     87  OE1 GLU A  13      18.887  42.372  20.859  1.00 39.72           O  
ATOM     88  OE2 GLU A  13      20.847  41.836  20.020  1.00 40.53           O  
ATOM     89  N   MET A  14      17.350  38.190  23.896  1.00 23.97           N  
ATOM     90  CA  MET A  14      16.097  37.480  23.641  1.00 24.13           C  
ATOM     91  C   MET A  14      15.296  38.188  22.557  1.00 24.41           C  
ATOM     92  O   MET A  14      14.788  39.290  22.777  1.00 26.02           O  
ATOM     93  CB  MET A  14      15.238  37.393  24.914  1.00 24.44           C  
ATOM     94  CG  MET A  14      15.800  36.518  26.027  1.00 26.00           C  
ATOM     95  SD  MET A  14      16.216  34.825  25.504  1.00 26.39           S  
ATOM     96  CE  MET A  14      14.670  34.206  24.918  1.00 28.18           C  
ATOM     97  N   VAL A  15      15.180  37.546  21.397  1.00 23.48           N  
ATOM     98  CA  VAL A  15      14.444  38.092  20.257  1.00 22.39           C  
ATOM     99  C   VAL A  15      13.130  37.335  20.074  1.00 21.58           C  
ATOM    100  O   VAL A  15      13.112  36.113  20.112  1.00 20.32           O  
ATOM    101  CB  VAL A  15      15.282  37.954  18.962  1.00 23.95           C  
ATOM    102  CG1 VAL A  15      14.497  38.453  17.756  1.00 25.71           C  
ATOM    103  CG2 VAL A  15      16.588  38.726  19.107  1.00 24.73           C  
ATOM    104  N   ARG A  16      12.018  38.034  19.868  1.00 20.32           N  
ATOM    105  CA  ARG A  16      10.784  37.285  19.680  1.00 20.18           C  
ATOM    106  C   ARG A  16      10.941  36.359  18.481  1.00 19.43           C  
ATOM    107  O   ARG A  16      11.516  36.728  17.459  1.00 18.75           O  
ATOM    108  CB  ARG A  16       9.560  38.206  19.528  1.00 21.77           C  
ATOM    109  CG  ARG A  16       9.766  39.487  18.772  1.00 24.40           C  
ATOM    110  CD  ARG A  16       8.666  40.509  19.138  1.00 20.99           C  
ATOM    111  NE  ARG A  16       7.301  40.026  18.897  1.00 19.99           N  
ATOM    112  CZ  ARG A  16       6.792  39.750  17.698  1.00 18.21           C  
ATOM    113  NH1 ARG A  16       7.525  39.902  16.604  1.00 17.33           N  
ATOM    114  NH2 ARG A  16       5.542  39.320  17.589  1.00 19.43           N  
ATOM    115  N   TRP A  17      10.452  35.138  18.638  1.00 19.18           N  
ATOM    116  CA  TRP A  17      10.542  34.111  17.609  1.00 20.29           C  
ATOM    117  C   TRP A  17      10.423  34.592  16.171  1.00 20.72           C  
ATOM    118  O   TRP A  17      11.297  34.325  15.347  1.00 19.94           O  
ATOM    119  CB  TRP A  17       9.485  33.034  17.854  1.00 22.31           C  
ATOM    120  CG  TRP A  17       9.615  31.851  16.949  1.00 22.58           C  
ATOM    121  CD1 TRP A  17       9.319  31.790  15.615  1.00 22.88           C  
ATOM    122  CD2 TRP A  17      10.136  30.569  17.304  1.00 23.19           C  
ATOM    123  NE1 TRP A  17       9.626  30.545  15.118  1.00 24.22           N  
ATOM    124  CE2 TRP A  17      10.130  29.776  16.136  1.00 24.01           C  
ATOM    125  CE3 TRP A  17      10.611  30.012  18.500  1.00 23.43           C  
ATOM    126  CZ2 TRP A  17      10.584  28.449  16.128  1.00 24.49           C  
ATOM    127  CZ3 TRP A  17      11.063  28.689  18.493  1.00 23.43           C  
ATOM    128  CH2 TRP A  17      11.044  27.926  17.313  1.00 23.27           C  
ATOM    129  N   GLU A  18       9.345  35.303  15.869  1.00 19.02           N  
ATOM    130  CA  GLU A  18       9.106  35.761  14.509  1.00 19.24           C  
ATOM    131  C   GLU A  18      10.150  36.701  13.920  1.00 17.52           C  
ATOM    132  O   GLU A  18      10.305  36.762  12.704  1.00 18.17           O  
ATOM    133  CB  GLU A  18       7.719  36.411  14.418  1.00 19.94           C  
ATOM    134  CG  GLU A  18       6.608  35.534  14.964  1.00 23.15           C  
ATOM    135  CD  GLU A  18       6.195  35.911  16.383  1.00 25.51           C  
ATOM    136  OE1 GLU A  18       7.076  36.068  17.258  1.00 24.47           O  
ATOM    137  OE2 GLU A  18       4.970  36.051  16.626  1.00 27.13           O  
ATOM    138  N   ASP A  19      10.873  37.424  14.766  1.00 17.29           N  
ATOM    139  CA  ASP A  19      11.867  38.368  14.267  1.00 16.99           C  
ATOM    140  C   ASP A  19      13.284  37.788  14.178  1.00 17.32           C  
ATOM    141  O   ASP A  19      14.201  38.468  13.733  1.00 17.53           O  
ATOM    142  CB  ASP A  19      11.887  39.634  15.135  1.00 17.12           C  
ATOM    143  CG  ASP A  19      10.551  40.376  15.134  1.00 18.13           C  
ATOM    144  OD1 ASP A  19       9.943  40.523  14.052  1.00 15.98           O  
ATOM    145  OD2 ASP A  19      10.123  40.826  16.216  1.00 18.71           O  
ATOM    146  N   ALA A  20      13.454  36.540  14.601  1.00 18.59           N  
ATOM    147  CA  ALA A  20      14.767  35.889  14.554  1.00 20.00           C  
ATOM    148  C   ALA A  20      15.033  35.441  13.123  1.00 19.69           C  
ATOM    149  O   ALA A  20      14.722  34.314  12.746  1.00 19.89           O  
ATOM    150  CB  ALA A  20      14.796  34.692  15.502  1.00 18.93           C  
ATOM    151  N   LYS A  21      15.603  36.335  12.323  1.00 20.36           N  
ATOM    152  CA  LYS A  21      15.873  36.023  10.930  1.00 21.70           C  
ATOM    153  C   LYS A  21      17.294  36.375  10.513  1.00 21.46           C  
ATOM    154  O   LYS A  21      17.983  37.152  11.180  1.00 20.02           O  
ATOM    155  CB  LYS A  21      14.868  36.754  10.035  1.00 23.21           C  
ATOM    156  CG  LYS A  21      13.421  36.573  10.494  1.00 26.08           C  
ATOM    157  CD  LYS A  21      12.438  37.313   9.599  1.00 28.23           C  
ATOM    158  CE  LYS A  21      12.104  36.514   8.356  1.00 28.76           C  
ATOM    159  NZ  LYS A  21      11.089  37.226   7.524  1.00 31.26           N  
ATOM    160  N   VAL A  22      17.715  35.797   9.394  1.00 21.76           N  
ATOM    161  CA  VAL A  22      19.054  36.019   8.863  1.00 22.77           C  
ATOM    162  C   VAL A  22      18.990  36.310   7.371  1.00 21.53           C  
ATOM    163  O   VAL A  22      18.016  35.953   6.700  1.00 22.97           O  
ATOM    164  CB  VAL A  22      19.942  34.773   9.073  1.00 23.17           C  
ATOM    165  CG1 VAL A  22      20.143  34.526  10.553  1.00 24.99           C  
ATOM    166  CG2 VAL A  22      19.291  33.559   8.423  1.00 24.11           C  
ATOM    167  N   HIS A  23      20.030  36.958   6.857  1.00 23.12           N  
ATOM    168  CA  HIS A  23      20.100  37.280   5.439  1.00 22.41           C  
ATOM    169  C   HIS A  23      20.304  35.992   4.652  1.00 23.09           C  
ATOM    170  O   HIS A  23      20.969  35.064   5.126  1.00 22.70           O  
ATOM    171  CB  HIS A  23      21.249  38.246   5.161  1.00 23.95           C  
ATOM    172  CG  HIS A  23      21.206  38.842   3.789  1.00 24.68           C  
ATOM    173  ND1 HIS A  23      20.235  39.739   3.398  1.00 27.66           N  
ATOM    174  CD2 HIS A  23      21.990  38.641   2.704  1.00 26.54           C  
ATOM    175  CE1 HIS A  23      20.422  40.065   2.131  1.00 26.25           C  
ATOM    176  NE2 HIS A  23      21.481  39.413   1.686  1.00 27.77           N  
ATOM    177  N   VAL A  24      19.720  35.935   3.460  1.00 21.66           N  
ATOM    178  CA  VAL A  24      19.815  34.758   2.611  1.00 22.09           C  
ATOM    179  C   VAL A  24      21.237  34.501   2.095  1.00 21.35           C  
ATOM    180  O   VAL A  24      21.519  33.433   1.553  1.00 20.82           O  
ATOM    181  CB  VAL A  24      18.828  34.861   1.419  1.00 23.60           C  
ATOM    182  CG1 VAL A  24      19.249  35.980   0.478  1.00 22.33           C  
ATOM    183  CG2 VAL A  24      18.730  33.521   0.704  1.00 25.93           C  
ATOM    184  N   MET A  25      22.128  35.475   2.264  1.00 20.09           N  
ATOM    185  CA  MET A  25      23.519  35.307   1.834  1.00 20.25           C  
ATOM    186  C   MET A  25      24.380  34.839   3.010  1.00 19.88           C  
ATOM    187  O   MET A  25      25.616  34.972   2.995  1.00 19.00           O  
ATOM    188  CB  MET A  25      24.078  36.613   1.261  1.00 21.67           C  
ATOM    189  CG  MET A  25      23.359  37.093  -0.003  1.00 21.16           C  
ATOM    190  SD  MET A  25      23.247  35.843  -1.298  1.00 23.75           S  
ATOM    191  CE  MET A  25      24.820  36.066  -2.108  1.00 22.77           C  
ATOM    192  N   SER A  26      23.716  34.303   4.034  1.00 18.50           N  
ATOM    193  CA  SER A  26      24.410  33.787   5.209  1.00 18.62           C  
ATOM    194  C   SER A  26      25.166  32.550   4.746  1.00 16.76           C  
ATOM    195  O   SER A  26      24.600  31.687   4.077  1.00 16.03           O  
ATOM    196  CB  SER A  26      23.411  33.421   6.311  1.00 18.48           C  
ATOM    197  OG  SER A  26      22.888  34.589   6.919  1.00 19.73           O  
ATOM    198  N   HIS A  27      26.444  32.485   5.106  1.00 18.24           N  
ATOM    199  CA  HIS A  27      27.329  31.388   4.713  1.00 18.60           C  
ATOM    200  C   HIS A  27      26.692  30.005   4.860  1.00 18.93           C  
ATOM    201  O   HIS A  27      26.600  29.249   3.885  1.00 18.08           O  
ATOM    202  CB  HIS A  27      28.625  31.455   5.537  1.00 19.76           C  
ATOM    203  CG  HIS A  27      29.820  30.859   4.854  1.00 19.66           C  
ATOM    204  ND1 HIS A  27      30.475  31.485   3.815  1.00 22.01           N  
ATOM    205  CD2 HIS A  27      30.483  29.699   5.069  1.00 19.41           C  
ATOM    206  CE1 HIS A  27      31.489  30.737   3.419  1.00 18.63           C  
ATOM    207  NE2 HIS A  27      31.516  29.647   4.164  1.00 20.88           N  
ATOM    208  N   ALA A  28      26.244  29.683   6.071  1.00 17.55           N  
ATOM    209  CA  ALA A  28      25.643  28.381   6.350  1.00 17.45           C  
ATOM    210  C   ALA A  28      24.533  27.952   5.393  1.00 17.60           C  
ATOM    211  O   ALA A  28      24.333  26.759   5.172  1.00 18.23           O  
ATOM    212  CB  ALA A  28      25.140  28.334   7.785  1.00 16.15           C  
ATOM    213  N   LEU A  29      23.806  28.908   4.824  1.00 16.59           N  
ATOM    214  CA  LEU A  29      22.735  28.557   3.897  1.00 16.93           C  
ATOM    215  C   LEU A  29      23.287  28.017   2.584  1.00 16.40           C  
ATOM    216  O   LEU A  29      22.625  27.230   1.906  1.00 15.81           O  
ATOM    217  CB  LEU A  29      21.847  29.771   3.595  1.00 18.14           C  
ATOM    218  CG  LEU A  29      20.747  30.153   4.588  1.00 20.97           C  
ATOM    219  CD1 LEU A  29      20.063  31.423   4.085  1.00 21.45           C  
ATOM    220  CD2 LEU A  29      19.738  29.024   4.735  1.00 19.10           C  
ATOM    221  N   HIS A  30      24.504  28.434   2.239  1.00 16.04           N  
ATOM    222  CA  HIS A  30      25.127  28.013   0.986  1.00 16.28           C  
ATOM    223  C   HIS A  30      26.192  26.928   1.094  1.00 16.54           C  
ATOM    224  O   HIS A  30      26.442  26.216   0.120  1.00 17.44           O  
ATOM    225  CB  HIS A  30      25.781  29.205   0.284  1.00 17.00           C  
ATOM    226  CG  HIS A  30      24.874  30.377   0.074  1.00 18.91           C  
ATOM    227  ND1 HIS A  30      24.669  30.941  -1.168  1.00 20.46           N  
ATOM    228  CD2 HIS A  30      24.169  31.132   0.951  1.00 18.93           C  
ATOM    229  CE1 HIS A  30      23.880  31.994  -1.045  1.00 19.92           C  
ATOM    230  NE2 HIS A  30      23.563  32.132   0.230  1.00 17.85           N  
ATOM    231  N   TYR A  31      26.825  26.799   2.258  1.00 16.94           N  
ATOM    232  CA  TYR A  31      27.904  25.819   2.395  1.00 16.94           C  
ATOM    233  C   TYR A  31      27.838  24.854   3.575  1.00 17.48           C  
ATOM    234  O   TYR A  31      28.856  24.255   3.934  1.00 16.01           O  
ATOM    235  CB  TYR A  31      29.247  26.553   2.443  1.00 17.17           C  
ATOM    236  CG  TYR A  31      29.440  27.581   1.348  1.00 18.33           C  
ATOM