--- a
+++ b/tests/data/pdb/1dy3_2LIG.pdb
@@ -0,0 +1,446 @@
+HEADER    PYROPHOSPHORYLASE                       21-JAN-00   1DY3
+ATOM      1  N   GLY A   8      21.932  34.718  12.992  1.00 12.50           N
+ATOM      2  CA  GLY A   8      20.469  34.640  13.082  1.00 12.02           C
+ATOM      3  C   GLY A   8      19.889  36.020  12.737  1.00 12.24           C
+ATOM      4  O   GLY A   8      20.485  37.036  13.092  1.00 12.25           O
+TER       5      GLY A   8
+ATOM      6  N   THR A  42      13.907  28.854   9.902  1.00 10.37           N
+ATOM      7  CA  THR A  42      13.528  28.095  11.074  1.00 11.06           C
+ATOM      8  C   THR A  42      12.471  28.794  11.909  1.00 13.37           C
+ATOM      9  O   THR A  42      12.469  30.001  12.042  1.00 13.07           O
+ATOM     10  CB  THR A  42      14.774  27.823  11.958  1.00 13.77           C
+ATOM     11  OG1 THR A  42      15.313  29.054  12.462  1.00 11.45           O
+ATOM     12  CG2 THR A  42      15.890  27.108  11.179  1.00 11.46           C
+ATOM     13  N   PRO A  43      11.536  28.033  12.474  1.00 15.69           N
+ATOM     14  CA  PRO A  43      10.513  28.588  13.344  1.00 15.38           C
+ATOM     15  C   PRO A  43      11.192  29.003  14.622  1.00 13.35           C
+ATOM     16  O   PRO A  43      12.177  28.360  15.025  1.00 12.28           O
+ATOM     17  CB  PRO A  43       9.515  27.471  13.500  1.00 17.74           C
+ATOM     18  CG  PRO A  43      10.317  26.222  13.328  1.00 19.36           C
+ATOM     19  CD  PRO A  43      11.448  26.558  12.374  1.00 17.48           C
+ATOM     20  N   PRO A  44      10.742  30.043  15.302  1.00 13.40           N
+ATOM     21  CA  PRO A  44      11.377  30.483  16.510  1.00 11.72           C
+ATOM     22  C   PRO A  44      11.369  29.432  17.603  1.00 14.55           C
+ATOM     23  O   PRO A  44      10.326  28.787  17.816  1.00 14.73           O
+ATOM     24  CB  PRO A  44      10.590  31.709  16.947  1.00 13.39           C
+ATOM     25  CG  PRO A  44       9.317  31.662  16.171  1.00 14.63           C
+ATOM     26  CD  PRO A  44       9.588  30.879  14.906  1.00 12.51           C
+ATOM     27  N   LEU A  45      12.469  29.291  18.309  1.00 12.79           N
+ATOM     28  CA  LEU A  45      12.571  28.419  19.476  1.00 13.90           C
+ATOM     29  C   LEU A  45      12.431  29.360  20.675  1.00 13.94           C
+ATOM     30  O   LEU A  45      12.993  30.462  20.547  1.00 14.63           O
+ATOM     31  CB  LEU A  45      13.858  27.643  19.511  1.00 18.76           C
+ATOM     32  CG  LEU A  45      14.153  26.670  20.639  1.00 29.32           C
+ATOM     33  CD1 LEU A  45      13.095  25.581  20.732  1.00 29.01           C
+ATOM     34  CD2 LEU A  45      15.539  26.037  20.452  1.00 24.77           C
+ATOM     35  N   GLY A  46      11.726  29.012  21.731  1.00 13.79           N
+ATOM     36  CA  GLY A  46      11.632  30.017  22.859  1.00 15.29           C
+ATOM     37  C   GLY A  46      10.330  30.774  22.601  1.00 15.23           C
+ATOM     38  O   GLY A  46       9.335  30.147  22.199  1.00 16.91           O
+ATOM     39  N   PRO A  47      10.330  32.070  22.773  1.00 16.22           N
+ATOM     40  CA  PRO A  47       9.134  32.878  22.507  1.00 15.91           C
+ATOM     41  C   PRO A  47       8.661  32.651  21.083  1.00 16.90           C
+ATOM     42  O   PRO A  47       9.421  32.839  20.130  1.00 16.25           O
+ATOM     43  CB  PRO A  47       9.548  34.287  22.836  1.00 15.78           C
+ATOM     44  CG  PRO A  47      10.724  34.134  23.758  1.00 18.06           C
+ATOM     45  CD  PRO A  47      11.451  32.908  23.233  1.00 16.30           C
+TER      46      PRO A  47
+ATOM     47  N   GLN A  50       7.035  35.670  17.203  1.00 12.18           N
+ATOM     48  CA  GLN A  50       7.997  36.484  16.422  1.00 12.21           C
+ATOM     49  C   GLN A  50       8.187  35.780  15.099  1.00 11.31           C
+ATOM     50  O   GLN A  50       7.815  34.607  14.957  1.00 11.07           O
+ATOM     51  CB  GLN A  50       9.266  36.690  17.243  1.00 12.76           C
+ATOM     52  CG  GLN A  50       9.956  35.366  17.564  1.00 12.01           C
+ATOM     53  CD  GLN A  50      11.245  35.583  18.341  1.00 16.32           C
+ATOM     54  OE1 GLN A  50      12.101  36.337  17.890  1.00 12.02           O
+ATOM     55  NE2 GLN A  50      11.348  34.918  19.487  1.00 15.67           N
+TER      56      GLN A  50
+ATOM     57  N   TYR A  53      13.074  32.714  11.530  1.00  9.18           N
+ATOM     58  CA  TYR A  53      14.451  33.113  11.388  1.00  9.64           C
+ATOM     59  C   TYR A  53      15.177  32.578  10.169  1.00  9.86           C
+ATOM     60  O   TYR A  53      14.830  31.545   9.613  1.00  8.79           O
+ATOM     61  CB  TYR A  53      15.241  32.578  12.619  1.00 10.13           C
+ATOM     62  CG  TYR A  53      15.073  33.396  13.879  1.00 10.61           C
+ATOM     63  CD1 TYR A  53      13.960  33.284  14.694  1.00  8.81           C
+ATOM     64  CD2 TYR A  53      16.108  34.265  14.250  1.00  9.66           C
+ATOM     65  CE1 TYR A  53      13.843  34.070  15.841  1.00  7.67           C
+ATOM     66  CE2 TYR A  53      16.005  35.030  15.413  1.00  9.00           C
+ATOM     67  CZ  TYR A  53      14.873  34.935  16.179  1.00  9.03           C
+ATOM     68  OH  TYR A  53      14.771  35.706  17.310  1.00 11.66           O
+TER      69      TYR A  53
+ATOM     70  N   ASN A  55      18.816  31.326   9.544  1.00 10.24           N
+ATOM     71  CA  ASN A  55      19.947  30.899  10.361  1.00  8.34           C
+ATOM     72  C   ASN A  55      21.034  30.325   9.449  1.00  9.77           C
+ATOM     73  O   ASN A  55      20.723  29.662   8.467  1.00  9.59           O
+ATOM     74  CB  ASN A  55      19.568  29.859  11.415  1.00 10.98           C
+ATOM     75  CG  ASN A  55      18.866  30.414  12.627  1.00 13.06           C
+ATOM     76  OD1 ASN A  55      17.724  30.071  12.945  1.00 13.21           O
+ATOM     77  ND2 ASN A  55      19.568  31.289  13.363  1.00 10.25           N
+TER      78      ASN A  55
+ATOM     79  N   LEU A  70      34.904  39.277  19.515  1.00 11.27           N
+ATOM     80  CA  LEU A  70      33.611  39.706  20.056  1.00 12.51           C
+ATOM     81  C   LEU A  70      33.362  41.193  19.856  1.00 11.92           C
+ATOM     82  O   LEU A  70      32.234  41.617  19.554  1.00 11.80           O
+ATOM     83  CB  LEU A  70      33.497  39.391  21.555  1.00 10.35           C
+ATOM     84  CG  LEU A  70      32.125  39.567  22.204  1.00 12.19           C
+ATOM     85  CD1 LEU A  70      31.071  38.737  21.477  1.00 15.60           C
+ATOM     86  CD2 LEU A  70      32.128  39.153  23.677  1.00 10.82           C
+TER      87      LEU A  70
+ATOM     88  N   GLN A  74      30.080  42.370  17.773  1.00 10.37           N
+ATOM     89  CA  GLN A  74      29.142  43.300  18.411  1.00 11.96           C
+ATOM     90  C   GLN A  74      29.061  44.619  17.656  1.00 12.97           C
+ATOM     91  O   GLN A  74      27.962  45.224  17.609  1.00 12.76           O
+ATOM     92  CB  GLN A  74      29.506  43.529  19.894  1.00 10.10           C
+ATOM     93  CG  GLN A  74      29.290  42.212  20.679  1.00 12.65           C
+ATOM     94  CD  GLN A  74      29.442  42.365  22.168  1.00 20.35           C
+ATOM     95  OE1 GLN A  74      28.856  41.587  22.950  1.00 22.93           O
+ATOM     96  NE2 GLN A  74      30.217  43.331  22.620  1.00 14.59           N
+TER      97      GLN A  74
+ATOM     98  N   GLU A  77      26.762  43.884  14.711  1.00  9.59           N
+ATOM     99  CA  GLU A  77      25.381  43.832  15.165  1.00 10.89           C
+ATOM    100  C   GLU A  77      24.824  45.244  15.319  1.00 13.92           C
+ATOM    101  O   GLU A  77      23.753  45.567  14.810  1.00 13.97           O
+ATOM    102  CB  GLU A  77      25.239  43.098  16.504  1.00  8.70           C
+ATOM    103  CG  GLU A  77      25.508  41.594  16.403  1.00 11.05           C
+ATOM    104  CD  GLU A  77      25.438  40.945  17.773  1.00 11.85           C
+ATOM    105  OE1 GLU A  77      25.820  41.625  18.748  1.00 13.85           O
+ATOM    106  OE2 GLU A  77      25.026  39.780  17.874  1.00 13.86           O
+TER     107      GLU A  77
+ATOM    108  N   ARG A  82      21.000  46.381  15.807  1.00 19.70           N
+ATOM    109  CA  ARG A  82      20.704  45.584  16.991  1.00 21.64           C
+ATOM    110  C   ARG A  82      20.713  46.476  18.231  1.00 23.54           C
+ATOM    111  O   ARG A  82      21.722  47.149  18.452  1.00 22.26           O
+ATOM    112  CB  ARG A  82      21.718  44.476  17.181  1.00 20.82           C
+ATOM    113  CG  ARG A  82      21.609  43.551  18.389  1.00 19.88           C
+ATOM    114  CD  ARG A  82      20.428  42.654  18.341  1.00 17.70           C
+ATOM    115  NE  ARG A  82      20.214  41.639  19.322  1.00 15.93           N
+ATOM    116  CZ  ARG A  82      20.751  40.466  19.543  1.00 17.07           C
+ATOM    117  NH1 ARG A  82      21.712  39.955  18.773  1.00 13.06           N
+ATOM    118  NH2 ARG A  82      20.309  39.709  20.534  1.00 17.82           N
+TER     119      ARG A  82
+ATOM    120  N   ARG A  84      20.065  45.915  22.186  1.00 34.62           N
+ATOM    121  CA  ARG A  84      19.669  44.923  23.166  1.00 39.34           C
+ATOM    122  C   ARG A  84      19.213  45.612  24.467  1.00 41.66           C
+ATOM    123  O   ARG A  84      19.566  46.706  24.865  1.00 41.74           O
+ATOM    124  CB  ARG A  84      20.760  43.990  23.635  1.00 42.59           C
+ATOM    125  CG  ARG A  84      21.992  43.920  22.758  1.00 44.89           C
+ATOM    126  CD  ARG A  84      23.048  43.080  23.440  1.00 45.49           C
+ATOM    127  NE  ARG A  84      23.239  41.745  22.864  1.00 45.89           N
+ATOM    128  CZ  ARG A  84      23.887  41.672  21.683  1.00 41.72           C
+ATOM    129  NH1 ARG A  84      24.316  42.806  21.122  1.00 44.22           N
+ATOM    130  NH2 ARG A  84      24.169  40.552  21.061  1.00 38.05           N
+TER     131      ARG A  84
+ATOM    132  N   ARG A  88      16.085  39.381  26.722  1.00 30.96           N
+ATOM    133  CA  ARG A  88      16.802  38.711  25.697  1.00 27.86           C
+ATOM    134  C   ARG A  88      16.312  38.015  24.458  1.00 24.17           C
+ATOM    135  O   ARG A  88      17.096  38.097  23.486  1.00 26.37           O
+ATOM    136  CB  ARG A  88      17.384  37.418  26.487  1.00 33.10           C
+ATOM    137  CG  ARG A  88      18.660  37.801  27.198  1.00 40.48           C
+ATOM    138  CD  ARG A  88      19.150  36.588  28.000  1.00 46.38           C
+ATOM    139  NE  ARG A  88      18.349  36.377  29.197  1.00 42.19           N
+ATOM    140  CZ  ARG A  88      18.468  35.379  30.056  1.00 43.86           C
+ATOM    141  NH1 ARG A  88      19.353  34.406  29.852  1.00 46.04           N
+ATOM    142  NH2 ARG A  88      17.714  35.315  31.148  1.00 37.43           N
+ATOM    143  N   TRP A  89      15.262  37.234  24.485  1.00 19.87           N
+ATOM    144  CA  TRP A  89      14.952  36.404  23.315  1.00 17.08           C
+ATOM    145  C   TRP A  89      13.874  36.875  22.385  1.00 15.24           C
+ATOM    146  O   TRP A  89      13.084  36.059  21.898  1.00 16.04           O
+ATOM    147  CB  TRP A  89      14.589  35.000  23.904  1.00 14.93           C
+ATOM    148  CG  TRP A  89      15.761  34.497  24.716  1.00 17.79           C
+ATOM    149  CD1 TRP A  89      17.063  34.443  24.289  1.00 16.65           C
+ATOM    150  CD2 TRP A  89      15.721  33.818  25.971  1.00 19.48           C
+ATOM    151  NE1 TRP A  89      17.848  33.858  25.257  1.00 19.97           N
+ATOM    152  CE2 TRP A  89      17.040  33.443  26.285  1.00 21.94           C
+ATOM    153  CE3 TRP A  89      14.693  33.512  26.865  1.00 22.67           C
+ATOM    154  CZ2 TRP A  89      17.369  32.787  27.473  1.00 28.67           C
+ATOM    155  CZ3 TRP A  89      15.017  32.854  28.049  1.00 27.82           C
+ATOM    156  CH2 TRP A  89      16.342  32.509  28.341  1.00 30.92           C
+ATOM    157  N   GLY A  90      13.859  38.174  22.120  1.00 14.68           N
+ATOM    158  CA  GLY A  90      12.873  38.750  21.197  1.00 14.35           C
+ATOM    159  C   GLY A  90      13.518  38.846  19.812  1.00 13.86           C
+ATOM    160  O   GLY A  90      14.659  38.402  19.621  1.00 14.67           O
+TER     161      GLY A  90
+ATOM    162  N   ARG A  92      15.228  40.138  16.314  1.00  9.76           N
+ATOM    163  CA  ARG A  92      16.423  40.988  16.144  1.00  8.81           C
+ATOM    164  C   ARG A  92      16.828  41.048  14.697  1.00  8.66           C
+ATOM    165  O   ARG A  92      16.593  40.116  13.911  1.00  9.57           O
+ATOM    166  CB  ARG A  92      17.589  40.481  17.006  1.00 13.42           C
+ATOM    167  CG  ARG A  92      18.263  39.199  16.542  1.00 10.45           C
+ATOM    168  CD  ARG A  92      17.349  37.972  16.730  1.00 12.92           C
+ATOM    169  NE  ARG A  92      17.046  37.870  18.149  1.00 12.62           N
+ATOM    170  CZ  ARG A  92      17.771  37.362  19.130  1.00 17.49           C
+ATOM    171  NH1 ARG A  92      18.895  36.691  18.900  1.00 13.40           N
+ATOM    172  NH2 ARG A  92      17.324  37.476  20.383  1.00 12.38           N
+TER     173      ARG A  92
+ATOM    174  N   ASP A  95      22.049  38.689  14.764  1.00  6.87           N
+ATOM    175  CA  ASP A  95      22.596  38.062  15.941  1.00  8.15           C
+ATOM    176  C   ASP A  95      23.841  37.278  15.533  1.00  9.13           C
+ATOM    177  O   ASP A  95      23.716  36.390  14.687  1.00  8.37           O
+ATOM    178  CB  ASP A  95      21.538  37.153  16.558  1.00  5.37           C
+ATOM    179  CG  ASP A  95      22.038  36.537  17.837  1.00 12.83           C
+ATOM    180  OD1 ASP A  95      22.590  37.310  18.629  1.00 11.59           O
+ATOM    181  OD2 ASP A  95      21.902  35.338  18.032  1.00  9.30           O
+ATOM    182  N   LEU A  96      24.994  37.625  16.059  1.00  9.63           N
+ATOM    183  CA  LEU A  96      26.247  36.945  15.739  1.00  8.79           C
+ATOM    184  C   LEU A  96      26.776  36.333  17.030  1.00 10.57           C
+ATOM    185  O   LEU A  96      27.161  37.044  17.974  1.00 10.91           O
+ATOM    186  CB  LEU A  96      27.281  37.886  15.133  1.00  9.59           C
+ATOM    187  CG  LEU A  96      26.909  38.587  13.817  1.00 10.30           C
+ATOM    188  CD1 LEU A  96      27.986  39.574  13.386  1.00  9.74           C
+ATOM    189  CD2 LEU A  96      26.662  37.567  12.705  1.00 11.16           C
+ATOM    190  N   ASP A  97      26.754  35.006  17.126  1.00  8.67           N
+ATOM    191  CA  ASP A  97      27.223  34.293  18.267  1.00  7.71           C
+ATOM    192  C   ASP A  97      28.520  33.520  17.999  1.00  9.37           C
+ATOM    193  O   ASP A  97      28.544  32.842  16.973  1.00  9.92           O
+ATOM    194  CB  ASP A  97      26.264  33.178  18.744  1.00  8.20           C
+ATOM    195  CG  ASP A  97      25.045  33.765  19.410  1.00 13.81           C
+ATOM    196  OD1 ASP A  97      24.988  34.976  19.385  1.00 11.37           O
+ATOM    197  OD2 ASP A  97      24.215  33.079  19.957  1.00 16.98           O
+ATOM    198  N   ILE A  98      29.428  33.555  18.954  1.00  8.33           N
+ATOM    199  CA  ILE A  98      30.648  32.728  18.760  1.00  9.15           C
+ATOM    200  C   ILE A  98      30.315  31.347  19.292  1.00  7.51           C
+ATOM    201  O   ILE A  98      30.111  31.221  20.487  1.00  7.86           O
+ATOM    202  CB  ILE A  98      31.861  33.371  19.436  1.00 10.38           C
+ATOM    203  CG1 ILE A  98      32.121  34.750  18.838  1.00 10.12           C
+ATOM    204  CG2 ILE A  98      33.084  32.458  19.295  1.00  9.82           C
+ATOM    205  CD1 ILE A  98      33.236  35.524  19.535  1.00 20.49           C
+TER     206      ILE A  98
+ATOM    207  N   GLU A 109      32.409  36.871  32.022  1.00 21.09           N
+ATOM    208  CA  GLU A 109      31.128  37.597  32.012  1.00 21.08           C
+ATOM    209  C   GLU A 109      30.760  38.020  30.611  1.00 20.41           C
+ATOM    210  O   GLU A 109      29.575  38.065  30.245  1.00 23.78           O
+ATOM    211  CB  GLU A 109      31.274  38.757  32.995  1.00 33.60           C
+ATOM    212  CG  GLU A 109      30.031  39.394  33.545  1.00 37.19           C
+ATOM    213  CD  GLU A 109      30.318  40.585  34.451  1.00 40.29           C
+ATOM    214  OE1 GLU A 109      31.272  40.552  35.250  1.00 44.04           O
+ATOM    215  OE2 GLU A 109      29.558  41.576  34.331  1.00 41.59           O
+ATOM    216  N   ARG A 110      31.753  38.292  29.736  1.00 17.88           N
+ATOM    217  CA  ARG A 110      31.442  38.676  28.376  1.00 17.81           C
+ATOM    218  C   ARG A 110      31.324  37.477  27.428  1.00 17.68           C
+ATOM    219  O   ARG A 110      30.630  37.556  26.419  1.00 18.36           O
+ATOM    220  CB  ARG A 110      32.505  39.573  27.735  1.00 17.14           C
+ATOM    221  CG  ARG A 110      32.771  40.921  28.389  1.00 22.76           C
+ATOM    222  CD  ARG A 110      33.659  41.732  27.410  1.00 22.48           C
+ATOM    223  NE  ARG A 110      32.890  42.082  26.196  1.00 24.24           N
+ATOM    224  CZ  ARG A 110      33.480  42.510  25.083  1.00 22.39           C
+ATOM    225  NH1 ARG A 110      34.804  42.576  25.063  1.00 23.21           N
+ATOM    226  NH2 ARG A 110      32.817  42.819  23.977  1.00 25.59           N
+ATOM    227  N   LEU A 111      32.069  36.421  27.730  1.00 18.01           N
+ATOM    228  CA  LEU A 111      32.099  35.314  26.765  1.00 18.84           C
+ATOM    229  C   LEU A 111      32.119  33.927  27.341  1.00 18.29           C
+ATOM    230  O   LEU A 111      32.940  33.559  28.190  1.00 17.36           O
+ATOM    231  CB  LEU A 111      33.363  35.651  25.945  1.00 21.34           C
+ATOM    232  CG  LEU A 111      33.648  34.993  24.631  1.00 21.15           C
+ATOM    233  CD1 LEU A 111      32.477  35.145  23.654  1.00 20.23           C
+ATOM    234  CD2 LEU A 111      34.906  35.572  23.971  1.00 21.27           C
+ATOM    235  N   THR A 112      31.124  33.148  26.909  1.00 15.90           N
+ATOM    236  CA  THR A 112      30.980  31.740  27.304  1.00 13.95           C
+ATOM    237  C   THR A 112      31.062  30.933  26.012  1.00 13.09           C
+ATOM    238  O   THR A 112      30.265  31.099  25.094  1.00 10.78           O
+ATOM    239  CB  THR A 112      29.699  31.470  28.099  1.00 17.73           C
+ATOM    240  OG1 THR A 112      29.790  32.111  29.387  1.00 15.81           O
+ATOM    241  CG2 THR A 112      29.466  29.989  28.348  1.00 10.77           C
+ATOM    242  N   VAL A 113      32.122  30.137  25.864  1.00 11.22           N
+ATOM    243  CA  VAL A 113      32.427  29.304  24.723  1.00 13.24           C
+ATOM    244  C   VAL A 113      32.875  27.917  25.166  1.00 14.82           C
+ATOM    245  O   VAL A 113      33.735  27.854  26.069  1.00 13.36           O
+ATOM    246  CB  VAL A 113      33.576  29.900  23.888  1.00 14.79           C
+ATOM    247  CG1 VAL A 113      33.956  28.987  22.718  1.00 17.31           C
+ATOM    248  CG2 VAL A 113      33.254  31.279  23.320  1.00 12.45           C
+TER     249      VAL A 113
+ATOM    250  N   HIS A 115      29.308  28.037  23.083  1.00 10.72           N
+ATOM    251  CA  HIS A 115      28.052  28.721  23.361  1.00 11.30           C
+ATOM    252  C   HIS A 115      27.275  27.860  24.346  1.00 12.84           C
+ATOM    253  O   HIS A 115      27.103  26.662  24.069  1.00 12.39           O
+ATOM    254  CB  HIS A 115      27.276  28.962  22.076  1.00 12.72           C
+ATOM    255  CG  HIS A 115      25.946  29.620  22.281  1.00 18.74           C
+ATOM    256  ND1 HIS A 115      25.686  30.934  21.977  1.00 19.44           N
+ATOM    257  CD2 HIS A 115      24.803  29.103  22.818  1.00 11.38           C
+ATOM    258  CE1 HIS A 115      24.413  31.195  22.265  1.00 15.98           C
+ATOM    259  NE2 HIS A 115      23.882  30.115  22.797  1.00 19.39           N
+ATOM    260  N   TYR A 116      26.789  28.470  25.422  1.00 12.39           N
+ATOM    261  CA  TYR A 116      26.145  27.746  26.503  1.00 15.38           C
+ATOM    262  C   TYR A 116      24.947  26.902  26.130  1.00 15.39           C
+ATOM    263  O   TYR A 116      24.698  25.959  26.917  1.00 18.10           O
+ATOM    264  CB  TYR A 116      25.676  28.750  27.599  1.00 15.34           C
+ATOM    265  CG  TYR A 116      24.374  29.449  27.277  1.00 17.03           C
+ATOM    266  CD1 TYR A 116      24.279  30.444  26.327  1.00 16.30           C
+ATOM    267  CD2 TYR A 116      23.220  29.104  28.005  1.00 19.65           C
+ATOM    268  CE1 TYR A 116      23.075  31.079  26.066  1.00 17.69           C
+ATOM    269  CE2 TYR A 116      22.011  29.737  27.748  1.00 19.14           C
+ATOM    270  CZ  TYR A 116      21.946  30.712  26.790  1.00 18.71           C
+ATOM    271  OH  TYR A 116      20.753  31.339  26.532  1.00 19.34           O
+ATOM    272  N   ASP A 117      24.219  27.134  25.066  1.00 14.42           N
+ATOM    273  CA  ASP A 117      23.041  26.319  24.789  1.00 14.24           C
+ATOM    274  C   ASP A 117      23.043  25.660  23.439  1.00 13.45           C
+ATOM    275  O   ASP A 117      22.039  25.078  23.028  1.00 11.93           O
+ATOM    276  CB  ASP A 117      21.818  27.277  24.892  1.00 13.25           C
+ATOM    277  CG  ASP A 117      20.504  26.544  25.061  1.00 17.78           C
+ATOM    278  OD1 ASP A 117      20.471  25.565  25.845  1.00 17.49           O
+ATOM    279  OD2 ASP A 117      19.494  26.946  24.449  1.00 20.83           O
+TER     280      ASP A 117
+ATOM    281  N   ARG A 121      20.154  23.366  20.404  1.00 12.39           N
+ATOM    282  CA  ARG A 121      19.537  24.124  19.327  1.00 11.27           C
+ATOM    283  C   ARG A 121      19.820  23.577  17.949  1.00 10.95           C
+ATOM    284  O   ARG A 121      20.913  23.742  17.383  1.00  9.41           O
+ATOM    285  CB  ARG A 121      20.043  25.588  19.385  1.00 12.18           C
+ATOM    286  CG  ARG A 121      19.780  26.250  20.740  1.00 12.09           C
+ATOM    287  CD  ARG A 121      20.227  27.699  20.761  1.00 10.97           C
+ATOM    288  NE  ARG A 121      19.985  28.302  22.083  1.00 14.28           N
+ATOM    289  CZ  ARG A 121      20.209  29.598  22.321  1.00 14.38           C
+ATOM    290  NH1 ARG A 121      20.661  30.388  21.352  1.00 11.49           N
+ATOM    291  NH2 ARG A 121      19.993  30.084  23.542  1.00 11.56           N
+TER     292      ARG A 121
+ATOM    293  N   PHE A 123      18.895  24.729  15.201  1.00 10.47           N
+ATOM    294  CA  PHE A 123      19.198  25.803  14.235  1.00 11.47           C
+ATOM    295  C   PHE A 123      20.657  26.229  14.309  1.00 10.51           C
+ATOM    296  O   PHE A 123      21.117  26.956  13.407  1.00 10.99           O
+ATOM    297  CB  PHE A 123      18.264  27.009  14.421  1.00 11.12           C
+ATOM    298  CG  PHE A 123      18.340  27.690  15.772  1.00 10.54           C
+ATOM    299  CD1 PHE A 123      19.324  28.615  16.033  1.00 11.71           C
+ATOM    300  CD2 PHE A 123      17.384  27.445  16.741  1.00 12.44           C
+ATOM    301  CE1 PHE A 123      19.398  29.257  17.265  1.00 16.05           C
+ATOM    302  CE2 PHE A 123      17.434  28.086  17.968  1.00 12.83           C
+ATOM    303  CZ  PHE A 123      18.442  28.984  18.223  1.00 13.47           C
+TER     304      PHE A 123
+HETATM  305  PG  ATP A 200      21.458  33.569  23.543  1.00 14.98           P
+HETATM  306  O1G ATP A 200      21.649  32.730  22.351  1.00 14.01           O
+HETATM  307  O2G ATP A 200      20.773  32.806  24.614  1.00 13.48           O
+HETATM  308  O3G ATP A 200      22.790  34.015  24.029  1.00 16.16           O
+HETATM  309  PB  ATP A 200      20.948  36.119  22.341  1.00 17.71           P
+HETATM  310  O1B ATP A 200      19.803  36.794  21.727  1.00 20.59           O
+HETATM  311  O2B ATP A 200      21.951  35.701  21.408  1.00 15.08           O
+HETATM  312  O3B ATP A 200      20.553  34.848  23.238  1.00 15.75           O
+HETATM  313  PA  ATP A 200      22.515  38.342  23.089  1.00 17.50           P
+HETATM  314  O1A ATP A 200      22.895  38.568  21.735  1.00 11.54           O
+HETATM  315  O2A ATP A 200      21.826  39.645  23.436  1.00 14.20           O
+HETATM  316  O3A ATP A 200      21.652  37.049  23.443  1.00 15.18           O
+HETATM  317  O5' ATP A 200      23.713  38.060  24.089  1.00 20.50           O
+HETATM  318  C5' ATP A 200      24.724  39.054  24.181  1.00 21.21           C
+HETATM  319  C4' ATP A 200      25.438  38.837  25.536  1.00 18.74           C
+HETATM  320  O4' ATP A 200      25.947  37.496  25.559  1.00 20.34           O
+HETATM  321  C3' ATP A 200      26.603  39.805  25.628  1.00 23.43           C
+HETATM  322  O3' ATP A 200      26.678  40.287  27.003  1.00 34.49           O
+HETATM  323  C2' ATP A 200      27.795  38.856  25.240  1.00 20.31           C
+HETATM  324  O2' ATP A 200      28.916  39.322  26.042  1.00 19.31           O
+HETATM  325  C1' ATP A 200      27.308  37.510  25.843  1.00 18.98           C
+HETATM  326  N9  ATP A 200      27.960  36.340  25.287  1.00 15.97           N
+HETATM  327  C8  ATP A 200      28.441  35.285  25.986  1.00 11.82           C
+HETATM  328  N7  ATP A 200      28.887  34.286  25.290  1.00 15.86           N
+HETATM  329  C5  ATP A 200      28.718  34.675  24.048  1.00 12.19           C
+HETATM  330  C6  ATP A 200      29.010  34.011  22.879  1.00 15.01           C
+HETATM  331  N6  ATP A 200      29.553  32.800  22.777  1.00 14.58           N
+HETATM  332  N1  ATP A 200      28.732  34.654  21.721  1.00 15.16           N
+HETATM  333  C2  ATP A 200      28.165  35.910  21.770  1.00 15.27           C
+HETATM  334  N3  ATP A 200      27.843  36.603  22.847  1.00 14.89           N
+HETATM  335  C4  ATP A 200      28.141  35.929  23.970  1.00 13.97           C
+HETATM  336  N2  87Y A 201      16.636  30.962  15.501  1.00  7.79           N
+HETATM  337  C3  87Y A 201      17.399  31.751  16.293  1.00 10.29           C
+HETATM  338  O8  87Y A 201      18.472  32.210  15.789  1.00  9.92           O
+HETATM  339  C7  87Y A 201      16.942  31.867  17.673  1.00 10.87           C
+HETATM  340  N10 87Y A 201      17.718  32.599  18.607  1.00 12.74           N
+HETATM  341  C12 87Y A 201      17.288  32.844  19.784  1.00 13.48           C
+HETATM  342  C15 87Y A 201      17.924  33.745  20.807  1.00 16.76           C
+HETATM  343  O16 87Y A 201      19.271  33.683  20.389  1.00 19.97           O
+HETATM  344  C11 87Y A 201      15.929  32.422  20.289  1.00 14.39           C
+HETATM  345  C14 87Y A 201      15.764  32.037  21.735  1.00 14.42           C
+HETATM  346  C13 87Y A 201      15.181  33.836  20.108  1.00 10.34           C
+HETATM  347  N9  87Y A 201      15.193  31.601  19.313  1.00 13.18           N
+HETATM  348  C6  87Y A 201      15.741  31.402  18.103  1.00 11.45           C
+HETATM  349  N4  87Y A 201      15.043  30.628  17.143  1.00 10.33           N
+HETATM  350  C1  87Y A 201      15.512  30.392  15.941  1.00  9.31           C
+HETATM  351  N5  87Y A 201      14.825  29.597  15.134  1.00  8.19           N
+HETATM  352  C17 87Y A 201      16.578  30.697  21.847  1.00 17.14           C
+HETATM  353  C18 87Y A 201      16.097  30.055  23.122  1.00 21.01           C
+HETATM  354  C19 87Y A 201      16.283  30.607  24.376  1.00 22.71           C
+HETATM  355  C20 87Y A 201      15.882  30.041  25.589  1.00 24.35           C
+HETATM  356  C21 87Y A 201      15.235  28.798  25.525  1.00 25.10           C
+HETATM  357  C22 87Y A 201      15.053  28.238  24.256  1.00 23.39           C
+HETATM  358  C23 87Y A 201      15.459  28.797  23.039  1.00 22.62           C
+HETATM  359 MG   MG  A 202      21.866  33.755  19.969  1.00 17.30          Mg
+HETATM  360 MG   MG  A 203      23.912  36.685  20.539  1.00 23.64          Mg
+HETATM  361  O   HOH A2039      13.806  25.776  15.159  1.00 30.24           O
+HETATM  362  O   HOH A2055      21.788  31.501  15.857  1.00 17.43           O
+HETATM  363  O   HOH A2068      25.646  38.194  19.789  1.00  9.90           O
+HETATM  364  O   HOH A2078      17.955  42.152  24.202  1.00 43.67           O
+HETATM  365  O   HOH A2084      19.476  34.819  16.682  1.00 11.78           O
+HETATM  366  O   HOH A2086      28.378  39.362  18.765  1.00 14.33           O
+HETATM  367  O   HOH A2099      27.439  31.420  25.515  1.00 14.07           O
+HETATM  368  O   HOH A2100      29.285  34.639  29.553  1.00 34.80           O
+HETATM  369  O   HOH A2103      18.797  29.504  26.121  1.00 43.43           O
+HETATM  370  O   HOH A2136      24.899  35.968  22.763  1.00 18.28           O
+HETATM  371  O   HOH A2137      25.761  33.262  24.793  1.00 25.71           O
+HETATM  372  O   HOH A2138      19.144  40.042  23.235  1.00 30.41           O
+HETATM  373  O   HOH A2139      29.858  41.939  25.864  1.00 26.31           O
+HETATM  374  O   HOH A2140      27.219  39.301  21.630  1.00 16.16           O
+HETATM  375  O   HOH A2141      20.708  32.030  18.428  1.00 14.81           O
+CONECT  180  360
+CONECT  181  359
+CONECT  196  360
+CONECT  197  359
+CONECT  325  320  323  326
+CONECT  333  332  334
+CONECT  323  321  324  325
+CONECT  321  319  322  323
+CONECT  335  326  329  334
+CONECT  319  318  320  321
+CONECT  329  328  330  335
+CONECT  318  317  319
+CONECT  330  329  331  332
+CONECT  327  326  328
+CONECT  332  330  333
+CONECT  334  333  335
+CONECT  331  330
+CONECT  328  327  329
+CONECT  326  325  327  335
+CONECT  314  313
+CONECT  314  360
+CONECT  310  309
+CONECT  306  305
+CONECT  306  359
+CONECT  324  323
+CONECT  315  313
+CONECT  311  309
+CONECT  311  360  359
+CONECT  307  305
+CONECT  322  321
+CONECT  316  309  313
+CONECT  312  305  309
+CONECT  308  305
+CONECT  320  319  325
+CONECT  317  313  318
+CONECT  313  314  315  316  317
+CONECT  309  310  311  312  316
+CONECT  305  306  307  308  312
+CONECT  350  336  349  351
+CONECT  344  341  345  346  347
+CONECT  341  340  342  344
+CONECT  346  344
+CONECT  345  344  352
+CONECT  342  341  343
+CONECT  352  345  353
+CONECT  353  352  354  358
+CONECT  354  353  355
+CONECT  355  354  356
+CONECT  356  355  357
+CONECT  357  356  358
+CONECT  358  353  357
+CONECT  337  336  338  339
+CONECT  348  339  347  349
+CONECT  339  337  340  348
+CONECT  340  339  341
+CONECT  336  337  350
+CONECT  349  348  350
+CONECT  351  350
+CONECT  347  344  348
+CONECT  343  342
+CONECT  343  359
+CONECT  338  337
+CONECT  359  306  343  311  375
+CONECT  359  197  181
+CONECT  360  311  363  370  180
+CONECT  360  314  196
+CONECT  363  360
+CONECT  370  360
+CONECT  375  359
+END