NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type subtype
633501 6ak0 cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   CYS A   1      -5.942   0.047   1.399  1.00  0.00      A       
ATOM      2  CA  CYS A   1      -5.254  -1.050   2.210  1.00  0.00      A       
ATOM      3  CB  CYS A   1      -6.157  -1.511   3.364  1.00  0.00      A       
ATOM      4  HT1 CYS A   1      -3.900   0.402   2.728  1.00  0.00      A       
ATOM      5  HA  CYS A   1      -5.055  -1.889   1.562  1.00  0.00      A       
ATOM      6  HB2 CYS A   1      -5.886  -2.519   3.639  1.00  0.00      A       
ATOM      7  HB1 CYS A   1      -6.000  -0.861   4.213  1.00  0.00      A       
ATOM      8  N   CYS A   1      -3.975  -0.575   2.732  1.00  0.00      A       
ATOM      9  O   CYS A   1      -6.597   0.927   1.957  1.00  0.00      A       
ATOM     10  SG  CYS A   1      -7.945  -1.508   2.988  1.00  0.00      A       
ATOM     11  C   LEU A   2      -6.760   0.357  -2.146  1.00  0.00      A       
ATOM     12  CA  LEU A   2      -6.386   0.977  -0.805  1.00  0.00      A       
ATOM     13  CB  LEU A   2      -5.424   2.147  -1.017  1.00  0.00      A       
ATOM     14  CD1 LEU A   2      -3.654   3.648  -0.069  1.00  0.00      A       
ATOM     15  CD2 LEU A   2      -5.853   3.423   1.098  1.00  0.00      A       
ATOM     16  CG  LEU A   2      -4.801   2.709   0.263  1.00  0.00      A       
ATOM     17  HN  LEU A   2      -5.248  -0.735  -0.303  1.00  0.00      A       
ATOM     18  HA  LEU A   2      -7.283   1.344  -0.333  1.00  0.00      A       
ATOM     19  HB2 LEU A   2      -4.627   1.818  -1.668  1.00  0.00      A       
ATOM     20  HB1 LEU A   2      -5.962   2.944  -1.508  1.00  0.00      A       
ATOM     21 HD11 LEU A   2      -3.074   3.838   0.822  1.00  0.00      A       
ATOM     22 HD12 LEU A   2      -4.049   4.579  -0.447  1.00  0.00      A       
ATOM     23 HD13 LEU A   2      -3.022   3.194  -0.819  1.00  0.00      A       
ATOM     24 HD21 LEU A   2      -5.665   3.240   2.146  1.00  0.00      A       
ATOM     25 HD22 LEU A   2      -6.833   3.051   0.838  1.00  0.00      A       
ATOM     26 HD23 LEU A   2      -5.807   4.484   0.904  1.00  0.00      A       
ATOM     27  HG  LEU A   2      -4.403   1.894   0.849  1.00  0.00      A       
ATOM     28  N   LEU A   2      -5.785  -0.011   0.082  1.00  0.00      A       
ATOM     29  O   LEU A   2      -6.441  -0.800  -2.418  1.00  0.00      A       
ATOM     30  C   GLY A   3      -6.720   0.686  -5.304  1.00  0.00      A       
ATOM     31  CA  GLY A   3      -7.845   0.649  -4.286  1.00  0.00      A       
ATOM     32  HN  GLY A   3      -7.664   2.050  -2.710  1.00  0.00      A       
ATOM     33  HA2 GLY A   3      -8.190  -0.370  -4.185  1.00  0.00      A       
ATOM     34  HA1 GLY A   3      -8.661   1.259  -4.646  1.00  0.00      A       
ATOM     35  N   GLY A   3      -7.439   1.136  -2.981  1.00  0.00      A       
ATOM     36  O   GLY A   3      -6.926   0.365  -6.474  1.00  0.00      A       
ATOM     37  C   VAL A   4      -3.614  -0.173  -5.772  1.00  0.00      A       
ATOM     38  CA  VAL A   4      -4.372   1.151  -5.752  1.00  0.00      A       
ATOM     39  CB  VAL A   4      -3.409   2.282  -5.335  1.00  0.00      A       
ATOM     40  CG1 VAL A   4      -2.442   2.606  -6.463  1.00  0.00      A       
ATOM     41  CG2 VAL A   4      -4.187   3.522  -4.922  1.00  0.00      A       
ATOM     42  HN  VAL A   4      -5.419   1.323  -3.918  1.00  0.00      A       
ATOM     43  HA  VAL A   4      -4.733   1.362  -6.748  1.00  0.00      A       
ATOM     44  HB  VAL A   4      -2.835   1.944  -4.485  1.00  0.00      A       
ATOM     45 HG11 VAL A   4      -2.074   3.614  -6.343  1.00  0.00      A       
ATOM     46 HG12 VAL A   4      -2.953   2.520  -7.411  1.00  0.00      A       
ATOM     47 HG13 VAL A   4      -1.613   1.915  -6.437  1.00  0.00      A       
ATOM     48 HG21 VAL A   4      -4.329   3.519  -3.851  1.00  0.00      A       
ATOM     49 HG22 VAL A   4      -5.150   3.523  -5.412  1.00  0.00      A       
ATOM     50 HG23 VAL A   4      -3.636   4.405  -5.209  1.00  0.00      A       
ATOM     51  N   VAL A   4      -5.527   1.077  -4.862  1.00  0.00      A       
ATOM     52  O   VAL A   4      -3.815  -1.026  -4.908  1.00  0.00      A       
ATOM     53  C   GLY A   5      -0.508  -1.325  -7.139  1.00  0.00      A       
ATOM     54  CA  GLY A   5      -1.982  -1.571  -6.879  1.00  0.00      A       
ATOM     55  HN  GLY A   5      -2.634   0.366  -7.428  1.00  0.00      A       
ATOM     56  HA2 GLY A   5      -2.085  -2.130  -5.961  1.00  0.00      A       
ATOM     57  HA1 GLY A   5      -2.386  -2.158  -7.691  1.00  0.00      A       
ATOM     58  N   GLY A   5      -2.748  -0.343  -6.765  1.00  0.00      A       
ATOM     59  O   GLY A   5       0.139  -2.097  -7.847  1.00  0.00      A       
ATOM     60  C   SER A   6       2.277  -0.587  -5.644  1.00  0.00      A       
ATOM     61  CA  SER A   6       1.440   0.076  -6.733  1.00  0.00      A       
ATOM     62  CB  SER A   6       1.641   1.592  -6.698  1.00  0.00      A       
ATOM     63  HN  SER A   6      -0.533   0.321  -6.002  1.00  0.00      A       
ATOM     64  HA  SER A   6       1.756  -0.300  -7.694  1.00  0.00      A       
ATOM     65  HB2 SER A   6       0.749   2.080  -7.063  1.00  0.00      A       
ATOM     66  HB1 SER A   6       1.832   1.905  -5.683  1.00  0.00      A       
ATOM     67  HG  SER A   6       3.006   2.872  -7.278  1.00  0.00      A       
ATOM     68  N   SER A   6       0.029  -0.255  -6.561  1.00  0.00      A       
ATOM     69  O   SER A   6       3.413  -0.999  -5.878  1.00  0.00      A       
ATOM     70  OG  SER A   6       2.735   1.980  -7.510  1.00  0.00      A       
ATOM     71  C   CYS A   7       1.328  -1.964  -2.406  1.00  0.00      A       
ATOM     72  CA  CYS A   7       2.361  -1.307  -3.315  1.00  0.00      A       
ATOM     73  CB  CYS A   7       3.164  -0.260  -2.539  1.00  0.00      A       
ATOM     74  HN  CYS A   7       0.784  -0.345  -4.342  1.00  0.00      A       
ATOM     75  HA  CYS A   7       3.032  -2.066  -3.688  1.00  0.00      A       
ATOM     76  HB2 CYS A   7       3.344   0.592  -3.178  1.00  0.00      A       
ATOM     77  HB1 CYS A   7       2.593   0.057  -1.679  1.00  0.00      A       
ATOM     78  N   CYS A   7       1.695  -0.690  -4.456  1.00  0.00      A       
ATOM     79  O   CYS A   7       0.203  -2.228  -2.830  1.00  0.00      A       
ATOM     80  SG  CYS A   7       4.781  -0.854  -1.943  1.00  0.00      A       
ATOM     81  C   VAL A   8       0.847  -2.172   1.145  1.00  0.00      A       
ATOM     82  CA  VAL A   8       0.785  -2.847  -0.215  1.00  0.00      A       
ATOM     83  CB  VAL A   8       1.085  -4.341  -0.023  1.00  0.00      A       
ATOM     84  CG1 VAL A   8      -0.069  -5.043   0.674  1.00  0.00      A       
ATOM     85  CG2 VAL A   8       1.402  -5.009  -1.352  1.00  0.00      A       
ATOM     86  HN  VAL A   8       2.609  -1.994  -0.869  1.00  0.00      A       
ATOM     87  HA  VAL A   8      -0.216  -2.749  -0.610  1.00  0.00      A       
ATOM     88  HB  VAL A   8       1.948  -4.418   0.610  1.00  0.00      A       
ATOM     89 HG11 VAL A   8      -0.472  -5.809   0.028  1.00  0.00      A       
ATOM     90 HG12 VAL A   8      -0.841  -4.327   0.906  1.00  0.00      A       
ATOM     91 HG13 VAL A   8       0.285  -5.496   1.589  1.00  0.00      A       
ATOM     92 HG21 VAL A   8       0.919  -4.467  -2.152  1.00  0.00      A       
ATOM     93 HG22 VAL A   8       1.041  -6.027  -1.337  1.00  0.00      A       
ATOM     94 HG23 VAL A   8       2.470  -5.008  -1.510  1.00  0.00      A       
ATOM     95  N   VAL A   8       1.703  -2.225  -1.160  1.00  0.00      A       
ATOM     96  O   VAL A   8       1.892  -1.674   1.564  1.00  0.00      A       
ATOM     97  C   ASP A   9      -0.431  -2.654   4.236  1.00  0.00      A       
ATOM     98  CA  ASP A   9      -0.382  -1.575   3.157  1.00  0.00      A       
ATOM     99  CB  ASP A   9      -1.619  -0.675   3.259  1.00  0.00      A       
ATOM    100  CG  ASP A   9      -2.867  -1.311   2.675  1.00  0.00      A       
ATOM    101  HN  ASP A   9      -1.069  -2.595   1.433  1.00  0.00      A       
ATOM    102  HA  ASP A   9       0.501  -0.973   3.311  1.00  0.00      A       
ATOM    103  HB2 ASP A   9      -1.807  -0.455   4.299  1.00  0.00      A       
ATOM    104  HB1 ASP A   9      -1.427   0.248   2.732  1.00  0.00      A       
ATOM    105  N   ASP A   9      -0.284  -2.173   1.830  1.00  0.00      A       
ATOM    106  O   ASP A   9      -0.213  -2.375   5.415  1.00  0.00      A       
ATOM    107  OD1 ASP A   9      -2.834  -2.439   2.183  1.00  0.00      A       
ATOM    108  C   PHE A  10      -1.839  -4.751   5.832  1.00  0.00      A       
ATOM    109  CA  PHE A  10      -0.791  -5.009   4.757  1.00  0.00      A       
ATOM    110  CB  PHE A  10       0.572  -5.270   5.413  1.00  0.00      A       
ATOM    111  CD1 PHE A  10       2.416  -3.573   5.268  1.00  0.00      A       
ATOM    112  CD2 PHE A  10       2.140  -5.103   3.458  1.00  0.00      A       
ATOM    113  CE1 PHE A  10       3.483  -2.987   4.614  1.00  0.00      A       
ATOM    114  CE2 PHE A  10       3.207  -4.520   2.800  1.00  0.00      A       
ATOM    115  CG  PHE A  10       1.733  -4.636   4.698  1.00  0.00      A       
ATOM    116  CZ  PHE A  10       3.879  -3.461   3.379  1.00  0.00      A       
ATOM    117  HN  PHE A  10      -0.880  -4.050   2.874  1.00  0.00      A       
ATOM    118  HA  PHE A  10      -1.082  -5.882   4.195  1.00  0.00      A       
ATOM    119  HB2 PHE A  10       0.556  -4.884   6.421  1.00  0.00      A       
ATOM    120  HB1 PHE A  10       0.744  -6.336   5.447  1.00  0.00      A       
ATOM    121  HD1 PHE A  10       2.107  -3.202   6.234  1.00  0.00      A       
ATOM    122  HD2 PHE A  10       1.615  -5.930   3.005  1.00  0.00      A       
ATOM    123  HE1 PHE A  10       4.006  -2.159   5.069  1.00  0.00      A       
ATOM    124  HE2 PHE A  10       3.514  -4.892   1.834  1.00  0.00      A       
ATOM    125  HZ  PHE A  10       4.713  -3.004   2.867  1.00  0.00      A       
ATOM    126  N   PHE A  10      -0.716  -3.888   3.826  1.00  0.00      A       
ATOM    127  O   PHE A  10      -1.720  -5.233   6.958  1.00  0.00      A       
ATOM    128  C   ALA A  11      -5.134  -4.592   6.201  1.00  0.00      A       
ATOM    129  CA  ALA A  11      -3.937  -3.676   6.412  1.00  0.00      A       
ATOM    130  CB  ALA A  11      -4.350  -2.219   6.274  1.00  0.00      A       
ATOM    131  HN  ALA A  11      -2.909  -3.639   4.563  1.00  0.00      A       
ATOM    132  HA  ALA A  11      -3.558  -3.828   7.410  1.00  0.00      A       
ATOM    133  HB1 ALA A  11      -4.404  -1.957   5.228  1.00  0.00      A       
ATOM    134  HB2 ALA A  11      -3.622  -1.590   6.765  1.00  0.00      A       
ATOM    135  HB3 ALA A  11      -5.318  -2.074   6.732  1.00  0.00      A       
ATOM    136  N   ALA A  11      -2.868  -3.992   5.476  1.00  0.00      A       
ATOM    137  O   ALA A  11      -6.272  -4.227   6.498  1.00  0.00      A       
ATOM    138  C   GLY A  12      -6.347  -6.772   3.985  1.00  0.00      A       
ATOM    139  CA  GLY A  12      -5.932  -6.741   5.440  1.00  0.00      A       
ATOM    140  HN  GLY A  12      -3.939  -6.018   5.468  1.00  0.00      A       
ATOM    141  HA2 GLY A  12      -5.592  -7.725   5.729  1.00  0.00      A       
ATOM    142  HA1 GLY A  12      -6.787  -6.476   6.043  1.00  0.00      A       
ATOM    143  N   GLY A  12      -4.868  -5.786   5.686  1.00  0.00      A       
ATOM    144  O   GLY A  12      -6.702  -7.824   3.454  1.00  0.00      A       
ATOM    145  C   CYS A  13      -5.466  -5.866   1.054  1.00  0.00      A       
ATOM    146  CA  CYS A  13      -6.658  -5.508   1.931  1.00  0.00      A       
ATOM    147  CB  CYS A  13      -7.143  -4.093   1.614  1.00  0.00      A       
ATOM    148  HN  CYS A  13      -5.994  -4.812   3.816  1.00  0.00      A       
ATOM    149  HA  CYS A  13      -7.457  -6.208   1.740  1.00  0.00      A       
ATOM    150  HB2 CYS A  13      -6.303  -3.416   1.650  1.00  0.00      A       
ATOM    151  HB1 CYS A  13      -7.569  -4.079   0.621  1.00  0.00      A       
ATOM    152  N   CYS A  13      -6.294  -5.614   3.338  1.00  0.00      A       
ATOM    153  O   CYS A  13      -5.608  -6.545   0.037  1.00  0.00      A       
ATOM    154  SG  CYS A  13      -8.407  -3.471   2.769  1.00  0.00      A       
ATOM    155  C   GLY A  14      -2.848  -4.762  -0.438  1.00  0.00      A       
ATOM    156  CA  GLY A  14      -3.078  -5.706   0.727  1.00  0.00      A       
ATOM    157  HN  GLY A  14      -4.237  -4.888   2.293  1.00  0.00      A       
ATOM    158  HA2 GLY A  14      -2.240  -5.640   1.401  1.00  0.00      A       
ATOM    159  HA1 GLY A  14      -3.140  -6.716   0.348  1.00  0.00      A       
ATOM    160  N   GLY A  14      -4.287  -5.415   1.468  1.00  0.00      A       
ATOM    161  O   GLY A  14      -2.441  -5.193  -1.517  1.00  0.00      A       
ATOM    162  C   TYR A  15      -2.537  -1.114  -0.733  1.00  0.00      A       
ATOM    163  CA  TYR A  15      -2.904  -2.489  -1.290  1.00  0.00      A       
ATOM    164  CB  TYR A  15      -4.159  -2.382  -2.157  1.00  0.00      A       
ATOM    165  CD1 TYR A  15      -3.625  -3.829  -4.155  1.00  0.00      A       
ATOM    166  CD2 TYR A  15      -5.400  -4.508  -2.716  1.00  0.00      A       
ATOM    167  CE1 TYR A  15      -3.841  -4.938  -4.952  1.00  0.00      A       
ATOM    168  CE2 TYR A  15      -5.622  -5.619  -3.507  1.00  0.00      A       
ATOM    169  CG  TYR A  15      -4.399  -3.596  -3.026  1.00  0.00      A       
ATOM    170  CZ  TYR A  15      -4.840  -5.829  -4.623  1.00  0.00      A       
ATOM    171  HN  TYR A  15      -3.421  -3.178   0.649  1.00  0.00      A       
ATOM    172  HA  TYR A  15      -2.087  -2.836  -1.906  1.00  0.00      A       
ATOM    173  HB2 TYR A  15      -5.019  -2.256  -1.520  1.00  0.00      A       
ATOM    174  HB1 TYR A  15      -4.067  -1.522  -2.805  1.00  0.00      A       
ATOM    175  HD1 TYR A  15      -2.843  -3.129  -4.410  1.00  0.00      A       
ATOM    176  HD2 TYR A  15      -6.011  -4.340  -1.842  1.00  0.00      A       
ATOM    177  HE1 TYR A  15      -3.228  -5.102  -5.826  1.00  0.00      A       
ATOM    178  HE2 TYR A  15      -6.405  -6.317  -3.250  1.00  0.00      A       
ATOM    179  HH  TYR A  15      -5.021  -6.680  -6.338  1.00  0.00      A       
ATOM    180  N   TYR A  15      -3.101  -3.472  -0.229  1.00  0.00      A       
ATOM    181  O   TYR A  15      -3.278  -0.528   0.055  1.00  0.00      A       
ATOM    182  OH  TYR A  15      -5.058  -6.935  -5.413  1.00  0.00      A       
ATOM    183  C   ALA A  16      -0.347   1.479  -1.927  1.00  0.00      A       
ATOM    184  CA  ALA A  16      -0.902   0.702  -0.744  1.00  0.00      A       
ATOM    185  CB  ALA A  16       0.164   0.558   0.329  1.00  0.00      A       
ATOM    186  HN  ALA A  16      -0.855  -1.128  -1.798  1.00  0.00      A       
ATOM    187  HA  ALA A  16      -1.725   1.256  -0.326  1.00  0.00      A       
ATOM    188  HB1 ALA A  16       0.992  -0.016  -0.061  1.00  0.00      A       
ATOM    189  HB2 ALA A  16      -0.254   0.053   1.186  1.00  0.00      A       
ATOM    190  HB3 ALA A  16       0.513   1.537   0.623  1.00  0.00      A       
ATOM    191  N   ALA A  16      -1.389  -0.607  -1.167  1.00  0.00      A       
ATOM    192  O   ALA A  16       0.257   0.904  -2.832  1.00  0.00      A       
ATOM    193  C   VAL A  17       1.380   4.102  -2.646  1.00  0.00      A       
ATOM    194  CA  VAL A  17      -0.037   3.646  -2.969  1.00  0.00      A       
ATOM    195  CB  VAL A  17      -0.920   4.894  -3.185  1.00  0.00      A       
ATOM    196  CG1 VAL A  17      -0.845   5.354  -4.633  1.00  0.00      A       
ATOM    197  CG2 VAL A  17      -2.362   4.623  -2.781  1.00  0.00      A       
ATOM    198  HN  VAL A  17      -1.016   3.192  -1.149  1.00  0.00      A       
ATOM    199  HA  VAL A  17      -0.023   3.071  -3.885  1.00  0.00      A       
ATOM    200  HB  VAL A  17      -0.539   5.689  -2.561  1.00  0.00      A       
ATOM    201 HG11 VAL A  17      -1.796   5.774  -4.926  1.00  0.00      A       
ATOM    202 HG12 VAL A  17      -0.613   4.512  -5.267  1.00  0.00      A       
ATOM    203 HG13 VAL A  17      -0.075   6.104  -4.733  1.00  0.00      A       
ATOM    204 HG21 VAL A  17      -2.526   4.983  -1.777  1.00  0.00      A       
ATOM    205 HG22 VAL A  17      -2.555   3.561  -2.819  1.00  0.00      A       
ATOM    206 HG23 VAL A  17      -3.028   5.135  -3.459  1.00  0.00      A       
ATOM    207  N   VAL A  17      -0.539   2.790  -1.904  1.00  0.00      A       
ATOM    208  O   VAL A  17       1.985   4.868  -3.396  1.00  0.00      A       
ATOM    209  C   VAL A  18       3.930   2.802  -0.393  1.00  0.00      A       
ATOM    210  CA  VAL A  18       3.255   3.972  -1.099  1.00  0.00      A       
ATOM    211  CB  VAL A  18       3.258   5.192  -0.157  1.00  0.00      A       
ATOM    212  CG1 VAL A  18       4.653   5.791  -0.063  1.00  0.00      A       
ATOM    213  CG2 VAL A  18       2.252   6.235  -0.623  1.00  0.00      A       
ATOM    214  HN  VAL A  18       1.371   3.005  -0.966  1.00  0.00      A       
ATOM    215  HA  VAL A  18       3.826   4.223  -1.981  1.00  0.00      A       
ATOM    216  HB  VAL A  18       2.969   4.858   0.828  1.00  0.00      A       
ATOM    217 HG11 VAL A  18       5.250   5.447  -0.895  1.00  0.00      A       
ATOM    218 HG12 VAL A  18       5.116   5.483   0.863  1.00  0.00      A       
ATOM    219 HG13 VAL A  18       4.586   6.868  -0.090  1.00  0.00      A       
ATOM    220 HG21 VAL A  18       2.416   7.158  -0.086  1.00  0.00      A       
ATOM    221 HG22 VAL A  18       1.250   5.880  -0.431  1.00  0.00      A       
ATOM    222 HG23 VAL A  18       2.377   6.408  -1.681  1.00  0.00      A       
ATOM    223  N   VAL A  18       1.906   3.618  -1.522  1.00  0.00      A       
ATOM    224  O   VAL A  18       3.263   1.934   0.171  1.00  0.00      A       
ATOM    225  C   CYS A  19       6.903   2.275   1.334  1.00  0.00      A       
ATOM    226  CA  CYS A  19       6.029   1.725   0.207  1.00  0.00      A       
ATOM    227  CB  CYS A  19       6.901   1.012  -0.828  1.00  0.00      A       
ATOM    228  HN  CYS A  19       5.727   3.509  -0.894  1.00  0.00      A       
ATOM    229  HA  CYS A  19       5.331   1.015   0.625  1.00  0.00      A       
ATOM    230  HB2 CYS A  19       7.760   1.627  -1.050  1.00  0.00      A       
ATOM    231  HB1 CYS A  19       7.236   0.070  -0.418  1.00  0.00      A       
ATOM    232  N   CYS A  19       5.256   2.788  -0.428  1.00  0.00      A       
ATOM    233  O   CYS A  19       7.444   1.513   2.136  1.00  0.00      A       
ATOM    234  SG  CYS A  19       6.054   0.660  -2.403  1.00  0.00      A       
ATOM    235  C   PHE A  20       7.018   4.564   3.658  1.00  0.00      A       
ATOM    236  CA  PHE A  20       7.851   4.240   2.419  1.00  0.00      A       
ATOM    237  CB  PHE A  20       8.489   5.520   1.871  1.00  0.00      A       
ATOM    238  CD1 PHE A  20       9.595   4.269  -0.005  1.00  0.00      A       
ATOM    239  CD2 PHE A  20       8.720   6.442  -0.452  1.00  0.00      A       
ATOM    240  CE1 PHE A  20      10.014   4.164  -1.317  1.00  0.00      A       
ATOM    241  CE2 PHE A  20       9.136   6.343  -1.766  1.00  0.00      A       
ATOM    242  CG  PHE A  20       8.944   5.408   0.443  1.00  0.00      A       
ATOM    243  CZ  PHE A  20       9.784   5.203  -2.199  1.00  0.00      A       
ATOM    244  HN  PHE A  20       6.589   4.155   0.724  1.00  0.00      A       
ATOM    245  HA  PHE A  20       8.635   3.551   2.698  1.00  0.00      A       
ATOM    246  HB2 PHE A  20       7.770   6.323   1.927  1.00  0.00      A       
ATOM    247  HB1 PHE A  20       9.348   5.772   2.476  1.00  0.00      A       
ATOM    248  HD1 PHE A  20       9.775   3.457   0.684  1.00  0.00      A       
ATOM    249  HD2 PHE A  20       8.214   7.334  -0.114  1.00  0.00      A       
ATOM    250  HE1 PHE A  20      10.521   3.272  -1.654  1.00  0.00      A       
ATOM    251  HE2 PHE A  20       8.956   7.156  -2.453  1.00  0.00      A       
ATOM    252  HZ  PHE A  20      10.111   5.123  -3.226  1.00  0.00      A       
ATOM    253  N   PHE A  20       7.041   3.598   1.389  1.00  0.00      A       
ATOM    254  O   PHE A  20       7.569   4.845   4.721  1.00  0.00      A       
ATOM    255  C   DTR A  21       4.435   3.531   5.387  1.00  0.00      A       
ATOM    256  CA  DTR A  21       4.752   4.799   4.602  1.00  0.00      A       
ATOM    257  CB  DTR A  21       5.279   5.887   5.548  1.00  0.00      A       
ATOM    258  CD1 DTR A  21       6.623   7.586   4.173  1.00  0.00      A       
ATOM    259  CD2 DTR A  21       4.614   8.319   4.837  1.00  0.00      A       
ATOM    260  CE2 DTR A  21       5.242   9.339   4.098  1.00  0.00      A       
ATOM    261  CE3 DTR A  21       3.338   8.552   5.357  1.00  0.00      A       
ATOM    262  CG  DTR A  21       5.513   7.205   4.873  1.00  0.00      A       
ATOM    263  CH2 DTR A  21       3.388  10.773   4.388  1.00  0.00      A       
ATOM    264  CZ2 DTR A  21       4.637  10.573   3.867  1.00  0.00      A       
ATOM    265  CZ3 DTR A  21       2.738   9.777   5.127  1.00  0.00      A       
ATOM    266  H   DTR A  21       5.324   4.280   2.631  1.00  0.00      A       
ATOM    267  HA  DTR A  21       3.835   5.151   4.151  1.00  0.00      A       
ATOM    268  HB2 DTR A  21       4.558   6.044   6.336  1.00  0.00      A       
ATOM    269  HB3 DTR A  21       6.210   5.561   5.984  1.00  0.00      A       
ATOM    270  HD1 DTR A  21       7.490   6.962   4.019  1.00  0.00      A       
ATOM    271  HE1 DTR A  21       7.125   9.364   3.173  1.00  0.00      A       
ATOM    272  HE3 DTR A  21       2.821   7.796   5.930  1.00  0.00      A       
ATOM    273  HH2 DTR A  21       2.882  11.715   4.234  1.00  0.00      A       
ATOM    274  HZ2 DTR A  21       5.124  11.351   3.299  1.00  0.00      A       
ATOM    275  HZ3 DTR A  21       1.753   9.975   5.522  1.00  0.00      A       
ATOM    276  N   DTR A  21       5.689   4.515   3.508  1.00  0.00      A       
ATOM    277  NE1 DTR A  21       6.467   8.868   3.704  1.00  0.00      A       
END


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