NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype
638276 6qxb 34366 cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   PHE A   1      -9.112   5.878   0.927  1.00  0.00      A       
ATOM      2  CA  PHE A   1     -10.461   6.104   0.194  1.00  0.00      A       
ATOM      3  CB  PHE A   1     -10.479   5.284  -1.132  1.00  0.00      A       
ATOM      4  CD1 PHE A   1     -12.985   5.113  -1.564  1.00  0.00      A       
ATOM      5  CD2 PHE A   1     -11.581   6.108  -3.262  1.00  0.00      A       
ATOM      6  CE1 PHE A   1     -14.113   5.427  -2.316  1.00  0.00      A       
ATOM      7  CE2 PHE A   1     -12.710   6.412  -4.016  1.00  0.00      A       
ATOM      8  CG  PHE A   1     -11.713   5.470  -2.024  1.00  0.00      A       
ATOM      9  CZ  PHE A   1     -13.976   6.079  -3.539  1.00  0.00      A       
ATOM     10  HT1 PHE A   1     -11.572   7.725  -0.551  1.00  0.00      A       
ATOM     11  HT2 PHE A   1     -10.715   8.104   0.822  1.00  0.00      A       
ATOM     12  HT3 PHE A   1      -9.938   7.957  -0.620  1.00  0.00      A       
ATOM     13  HA  PHE A   1     -11.278   5.729   0.844  1.00  0.00      A       
ATOM     14  HB2 PHE A   1      -9.557   5.488  -1.714  1.00  0.00      A       
ATOM     15  HB1 PHE A   1     -10.399   4.203  -0.894  1.00  0.00      A       
ATOM     16  HD1 PHE A   1     -13.108   4.620  -0.609  1.00  0.00      A       
ATOM     17  HD2 PHE A   1     -10.607   6.388  -3.640  1.00  0.00      A       
ATOM     18  HE1 PHE A   1     -15.096   5.175  -1.944  1.00  0.00      A       
ATOM     19  HE2 PHE A   1     -12.604   6.916  -4.966  1.00  0.00      A       
ATOM     20  HZ  PHE A   1     -14.853   6.332  -4.117  1.00  0.00      A       
ATOM     21  N   PHE A   1     -10.692   7.558  -0.047  1.00  0.00      A       
ATOM     22  O   PHE A   1      -8.145   6.608   0.684  1.00  0.00      A       
ATOM     23  C   VAL A   2      -7.329   3.042   1.859  1.00  0.00      A       
ATOM     24  CA  VAL A   2      -7.733   4.451   2.411  1.00  0.00      A       
ATOM     25  CB  VAL A   2      -7.808   4.562   3.978  1.00  0.00      A       
ATOM     26  CG1 VAL A   2      -6.422   4.406   4.657  1.00  0.00      A       
ATOM     27  CG2 VAL A   2      -8.435   5.881   4.499  1.00  0.00      A       
ATOM     28  HN  VAL A   2      -9.852   4.234   1.861  1.00  0.00      A       
ATOM     29  HA  VAL A   2      -6.916   5.139   2.115  1.00  0.00      A       
ATOM     30  HB  VAL A   2      -8.448   3.732   4.340  1.00  0.00      A       
ATOM     31 HG11 VAL A   2      -5.731   3.751   4.094  1.00  0.00      A       
ATOM     32 HG12 VAL A   2      -5.898   5.371   4.797  1.00  0.00      A       
ATOM     33 HG13 VAL A   2      -6.524   3.953   5.661  1.00  0.00      A       
ATOM     34 HG21 VAL A   2      -9.515   5.928   4.267  1.00  0.00      A       
ATOM     35 HG22 VAL A   2      -8.347   5.998   5.595  1.00  0.00      A       
ATOM     36 HG23 VAL A   2      -7.969   6.769   4.031  1.00  0.00      A       
ATOM     37  N   VAL A   2      -9.020   4.827   1.758  1.00  0.00      A       
ATOM     38  O   VAL A   2      -7.478   2.056   2.590  1.00  0.00      A       
ATOM     39  C   Jkh A   3      -4.744   1.388   0.881  1.00  0.00      A       
ATOM     40  CA  Jkh A   3      -6.145   1.581   0.208  1.00  0.00      A       
ATOM     41  CB  Jkh A   3      -6.125   1.758  -1.331  1.00  0.00      A       
ATOM     42  CD  Jkh A   3      -6.699   3.896  -0.444  1.00  0.00      A       
ATOM     43  CG  Jkh A   3      -5.916   3.256  -1.609  1.00  0.00      A       
ATOM     44  HA  Jkh A   3      -6.792   0.716   0.464  1.00  0.00      A       
ATOM     45  HB2 Jkh A   3      -7.108   1.449  -1.742  1.00  0.00      A       
ATOM     46  HB3 Jkh A   3      -5.393   1.097  -1.833  1.00  0.00      A       
ATOM     47  HD2 Jkh A   3      -7.726   4.118  -0.790  1.00  0.00      A       
ATOM     48  HD3 Jkh A   3      -6.264   4.852  -0.097  1.00  0.00      A       
ATOM     49  HG  Jkh A   3      -6.352   3.546  -2.587  1.00  0.00      A       
ATOM     50 HG21 Jkh A   3      -4.042   3.203  -0.728  1.00  0.00      A       
ATOM     51 HG22 Jkh A   3      -4.276   4.597  -1.612  1.00  0.00      A       
ATOM     52 HG23 Jkh A   3      -3.955   3.148  -2.353  1.00  0.00      A       
ATOM     53  N   Jkh A   3      -6.760   2.866   0.620  1.00  0.00      A       
ATOM     54  NG2 Jkh A   3      -4.470   3.591  -1.585  1.00  0.00      A       
ATOM     55  O   Jkh A   3      -3.703   1.455   0.221  1.00  0.00      A       
ATOM     56  C   TRP A   4      -2.876  -0.659   2.281  1.00  0.00      A       
ATOM     57  CA  TRP A   4      -3.555   0.586   2.935  1.00  0.00      A       
ATOM     58  CB  TRP A   4      -3.888   0.369   4.440  1.00  0.00      A       
ATOM     59  CD1 TRP A   4      -6.419   0.029   4.985  1.00  0.00      A       
ATOM     60  CD2 TRP A   4      -5.261  -1.867   4.804  1.00  0.00      A       
ATOM     61  CE2 TRP A   4      -6.633  -2.159   5.010  1.00  0.00      A       
ATOM     62  CE3 TRP A   4      -4.321  -2.918   4.638  1.00  0.00      A       
ATOM     63  CG  TRP A   4      -5.124  -0.488   4.770  1.00  0.00      A       
ATOM     64  CH2 TRP A   4      -6.139  -4.522   4.871  1.00  0.00      A       
ATOM     65  CZ2 TRP A   4      -7.077  -3.501   5.038  1.00  0.00      A       
ATOM     66  CZ3 TRP A   4      -4.782  -4.235   4.681  1.00  0.00      A       
ATOM     67  HN  TRP A   4      -5.670   1.199   2.634  1.00  0.00      A       
ATOM     68  HA  TRP A   4      -2.781   1.375   2.921  1.00  0.00      A       
ATOM     69  HB2 TRP A   4      -3.007  -0.064   4.953  1.00  0.00      A       
ATOM     70  HB1 TRP A   4      -4.008   1.358   4.921  1.00  0.00      A       
ATOM     71  HD1 TRP A   4      -6.659   1.083   4.991  1.00  0.00      A       
ATOM     72  HE1 TRP A   4      -8.383  -0.905   5.279  1.00  0.00      A       
ATOM     73  HE3 TRP A   4      -3.274  -2.713   4.464  1.00  0.00      A       
ATOM     74  HH2 TRP A   4      -6.466  -5.552   4.892  1.00  0.00      A       
ATOM     75  HZ2 TRP A   4      -8.122  -3.730   5.186  1.00  0.00      A       
ATOM     76  HZ3 TRP A   4      -4.080  -5.048   4.561  1.00  0.00      A       
ATOM     77  N   TRP A   4      -4.736   1.137   2.201  1.00  0.00      A       
ATOM     78  NE1 TRP A   4      -7.372  -0.994   5.129  1.00  0.00      A       
ATOM     79  O   TRP A   4      -1.647  -0.725   2.249  1.00  0.00      A       
ATOM     80  C   PHE A   5      -2.262  -2.255  -0.405  1.00  0.00      A       
ATOM     81  CA  PHE A   5      -3.188  -2.651   0.796  1.00  0.00      A       
ATOM     82  CB  PHE A   5      -4.415  -3.496   0.340  1.00  0.00      A       
ATOM     83  CD1 PHE A   5      -4.151  -5.630  -1.052  1.00  0.00      A       
ATOM     84  CD2 PHE A   5      -3.782  -5.741   1.331  1.00  0.00      A       
ATOM     85  CE1 PHE A   5      -3.846  -6.986  -1.156  1.00  0.00      A       
ATOM     86  CE2 PHE A   5      -3.459  -7.089   1.224  1.00  0.00      A       
ATOM     87  CG  PHE A   5      -4.114  -4.996   0.194  1.00  0.00      A       
ATOM     88  CZ  PHE A   5      -3.495  -7.712  -0.020  1.00  0.00      A       
ATOM     89  HN  PHE A   5      -4.674  -1.371   1.810  1.00  0.00      A       
ATOM     90  HA  PHE A   5      -2.579  -3.275   1.469  1.00  0.00      A       
ATOM     91  HB2 PHE A   5      -5.260  -3.410   1.052  1.00  0.00      A       
ATOM     92  HB1 PHE A   5      -4.826  -3.078  -0.601  1.00  0.00      A       
ATOM     93  HD1 PHE A   5      -4.411  -5.075  -1.942  1.00  0.00      A       
ATOM     94  HD2 PHE A   5      -3.723  -5.261   2.295  1.00  0.00      A       
ATOM     95  HE1 PHE A   5      -3.881  -7.477  -2.119  1.00  0.00      A       
ATOM     96  HE2 PHE A   5      -3.169  -7.643   2.105  1.00  0.00      A       
ATOM     97  HZ  PHE A   5      -3.248  -8.761  -0.100  1.00  0.00      A       
ATOM     98  N   PHE A   5      -3.676  -1.559   1.672  1.00  0.00      A       
ATOM     99  O   PHE A   5      -1.333  -2.990  -0.728  1.00  0.00      A       
ATOM    100  C   SER A   6      -0.449   0.483  -1.394  1.00  0.00      A       
ATOM    101  CA  SER A   6      -1.541  -0.477  -2.011  1.00  0.00      A       
ATOM    102  CB  SER A   6      -2.343   0.228  -3.153  1.00  0.00      A       
ATOM    103  HN  SER A   6      -3.258  -0.549  -0.625  1.00  0.00      A       
ATOM    104  HA  SER A   6      -0.962  -1.289  -2.495  1.00  0.00      A       
ATOM    105  HB2 SER A   6      -2.288   1.328  -3.053  1.00  0.00      A       
ATOM    106  HB1 SER A   6      -1.840   0.007  -4.115  1.00  0.00      A       
ATOM    107  HG  SER A   6      -4.029   0.074  -4.144  1.00  0.00      A       
ATOM    108  N   SER A   6      -2.487  -1.091  -1.028  1.00  0.00      A       
ATOM    109  O   SER A   6       0.473   0.893  -2.102  1.00  0.00      A       
ATOM    110  OG  SER A   6      -3.725  -0.146  -3.259  1.00  0.00      A       
ATOM    111  C   LYS A   7       1.613   0.906   1.313  1.00  0.00      A       
ATOM    112  CA  LYS A   7       0.442   1.694   0.628  1.00  0.00      A       
ATOM    113  CB  LYS A   7      -0.345   2.561   1.662  1.00  0.00      A       
ATOM    114  CD  LYS A   7      -0.403   4.835   2.874  1.00  0.00      A       
ATOM    115  CE  LYS A   7       0.159   6.273   2.861  1.00  0.00      A       
ATOM    116  CG  LYS A   7       0.020   4.057   1.612  1.00  0.00      A       
ATOM    117  HN  LYS A   7      -1.292   0.341   0.396  1.00  0.00      A       
ATOM    118  HA  LYS A   7       0.929   2.366  -0.109  1.00  0.00      A       
ATOM    119  HB2 LYS A   7      -1.441   2.485   1.521  1.00  0.00      A       
ATOM    120  HB1 LYS A   7      -0.191   2.161   2.685  1.00  0.00      A       
ATOM    121  HD2 LYS A   7      -1.509   4.803   2.962  1.00  0.00      A       
ATOM    122  HD1 LYS A   7      -0.033   4.309   3.779  1.00  0.00      A       
ATOM    123  HE2 LYS A   7       1.165   6.278   3.340  1.00  0.00      A       
ATOM    124  HE1 LYS A   7       0.354   6.618   1.820  1.00  0.00      A       
ATOM    125  HG2 LYS A   7       1.110   4.172   1.446  1.00  0.00      A       
ATOM    126  HG1 LYS A   7      -0.463   4.505   0.719  1.00  0.00      A       
ATOM    127  HZ1 LYS A   7      -0.418   8.181   3.574  1.00  0.00      A       
ATOM    128  HZ2 LYS A   7      -1.683   7.261   3.078  1.00  0.00      A       
ATOM    129  HZ3 LYS A   7      -0.962   6.947   4.519  1.00  0.00      A       
ATOM    130  N   LYS A   7      -0.550   0.851  -0.101  1.00  0.00      A       
ATOM    131  NZ  LYS A   7      -0.768   7.213   3.545  1.00  0.00      A       
ATOM    132  O   LYS A   7       2.746   1.392   1.334  1.00  0.00      A       
ATOM    133  C   PHE A   8       3.124  -2.029   1.218  1.00  0.00      A       
ATOM    134  CA  PHE A   8       2.391  -1.233   2.361  1.00  0.00      A       
ATOM    135  CB  PHE A   8       1.772  -2.118   3.499  1.00  0.00      A       
ATOM    136  CD1 PHE A   8       0.082  -3.568   2.233  1.00  0.00      A       
ATOM    137  CD2 PHE A   8       1.750  -4.674   3.569  1.00  0.00      A       
ATOM    138  CE1 PHE A   8      -0.344  -4.798   1.739  1.00  0.00      A       
ATOM    139  CE2 PHE A   8       1.302  -5.907   3.096  1.00  0.00      A       
ATOM    140  CG  PHE A   8       1.150  -3.487   3.125  1.00  0.00      A       
ATOM    141  CZ  PHE A   8       0.265  -5.968   2.176  1.00  0.00      A       
ATOM    142  HN  PHE A   8       0.356  -0.567   1.786  1.00  0.00      A       
ATOM    143  HA  PHE A   8       3.184  -0.628   2.846  1.00  0.00      A       
ATOM    144  HB2 PHE A   8       2.570  -2.280   4.248  1.00  0.00      A       
ATOM    145  HB1 PHE A   8       1.023  -1.539   4.077  1.00  0.00      A       
ATOM    146  HD1 PHE A   8      -0.360  -2.668   1.840  1.00  0.00      A       
ATOM    147  HD2 PHE A   8       2.606  -4.640   4.225  1.00  0.00      A       
ATOM    148  HE1 PHE A   8      -1.111  -4.857   0.987  1.00  0.00      A       
ATOM    149  HE2 PHE A   8       1.801  -6.817   3.400  1.00  0.00      A       
ATOM    150  HZ  PHE A   8      -0.058  -6.915   1.768  1.00  0.00      A       
ATOM    151  N   PHE A   8       1.341  -0.284   1.883  1.00  0.00      A       
ATOM    152  O   PHE A   8       4.339  -2.227   1.289  1.00  0.00      A       
ATOM    153  C   LEU A   9       4.147  -2.821  -1.683  1.00  0.00      A       
ATOM    154  CA  LEU A   9       2.896  -3.350  -0.915  1.00  0.00      A       
ATOM    155  CB  LEU A   9       1.698  -3.660  -1.854  1.00  0.00      A       
ATOM    156  CD1 LEU A   9       0.741  -5.946  -2.526  1.00  0.00      A       
ATOM    157  CD2 LEU A   9       1.918  -4.520  -4.258  1.00  0.00      A       
ATOM    158  CG  LEU A   9       1.851  -4.908  -2.770  1.00  0.00      A       
ATOM    159  HN  LEU A   9       1.381  -2.313   0.300  1.00  0.00      A       
ATOM    160  HA  LEU A   9       3.186  -4.306  -0.440  1.00  0.00      A       
ATOM    161  HB2 LEU A   9       0.797  -3.808  -1.235  1.00  0.00      A       
ATOM    162  HB1 LEU A   9       1.453  -2.757  -2.449  1.00  0.00      A       
ATOM    163 HD11 LEU A   9       0.880  -6.449  -1.551  1.00  0.00      A       
ATOM    164 HD12 LEU A   9      -0.267  -5.491  -2.514  1.00  0.00      A       
ATOM    165 HD13 LEU A   9       0.733  -6.743  -3.294  1.00  0.00      A       
ATOM    166 HD21 LEU A   9       2.748  -3.816  -4.456  1.00  0.00      A       
ATOM    167 HD22 LEU A   9       2.095  -5.401  -4.902  1.00  0.00      A       
ATOM    168 HD23 LEU A   9       0.985  -4.043  -4.610  1.00  0.00      A       
ATOM    169  HG  LEU A   9       2.795  -5.421  -2.520  1.00  0.00      A       
ATOM    170  N   LEU A   9       2.385  -2.478   0.179  1.00  0.00      A       
ATOM    171  O   LEU A   9       5.103  -3.576  -1.853  1.00  0.00      A       
ATOM    172  C   GLY A  10       6.759  -1.106  -1.709  1.00  0.00      A       
ATOM    173  CA  GLY A  10       5.441  -0.839  -2.493  1.00  0.00      A       
ATOM    174  HN  GLY A  10       3.335  -1.017  -1.784  1.00  0.00      A       
ATOM    175  HA2 GLY A  10       5.615  -1.074  -3.559  1.00  0.00      A       
ATOM    176  HA1 GLY A  10       5.261   0.251  -2.474  1.00  0.00      A       
ATOM    177  N   GLY A  10       4.187  -1.525  -2.053  1.00  0.00      A       
ATOM    178  O   GLY A  10       7.790  -1.412  -2.312  1.00  0.00      A       
ATOM    179  C   ARG A  11       7.994  -3.068   0.602  1.00  0.00      A       
ATOM    180  CA  ARG A  11       7.783  -1.518   0.532  1.00  0.00      A       
ATOM    181  CB  ARG A  11       7.506  -0.950   1.951  1.00  0.00      A       
ATOM    182  CD  ARG A  11       9.289   0.871   2.350  1.00  0.00      A       
ATOM    183  CG  ARG A  11       7.790   0.557   2.139  1.00  0.00      A       
ATOM    184  CZ  ARG A  11      10.592   2.389   3.859  1.00  0.00      A       
ATOM    185  HN  ARG A  11       5.731  -0.932  -0.028  1.00  0.00      A       
ATOM    186  HA  ARG A  11       8.745  -1.103   0.170  1.00  0.00      A       
ATOM    187  HB2 ARG A  11       6.457  -1.164   2.236  1.00  0.00      A       
ATOM    188  HB1 ARG A  11       8.087  -1.513   2.708  1.00  0.00      A       
ATOM    189  HD2 ARG A  11       9.866  -0.055   2.566  1.00  0.00      A       
ATOM    190  HD1 ARG A  11       9.715   1.271   1.406  1.00  0.00      A       
ATOM    191  HE  ARG A  11       8.651   2.051   4.079  1.00  0.00      A       
ATOM    192  HG2 ARG A  11       7.406   1.134   1.273  1.00  0.00      A       
ATOM    193  HG1 ARG A  11       7.163   0.905   2.983  1.00  0.00      A       
ATOM    194 HH11 ARG A  11      12.565   2.676   3.595  1.00  0.00      A       
ATOM    195 HH12 ARG A  11      11.672   1.577   2.436  1.00  0.00      A       
ATOM    196 HH21 ARG A  11      11.458   3.587   5.187  1.00  0.00      A       
ATOM    197 HH22 ARG A  11       9.673   3.280   5.375  1.00  0.00      A       
ATOM    198  N   ARG A  11       6.694  -1.037  -0.371  1.00  0.00      A       
ATOM    199  NE  ARG A  11       9.448   1.829   3.476  1.00  0.00      A       
ATOM    200  NH1 ARG A  11      11.732   2.204   3.241  1.00  0.00      A       
ATOM    201  NH2 ARG A  11      10.573   3.162   4.905  1.00  0.00      A       
ATOM    202  O   ARG A  11       9.142  -3.513   0.556  1.00  0.00      A       
ATOM    203  C   ILE A  12       7.671  -5.938  -0.669  1.00  0.00      A       
ATOM    204  CA  ILE A  12       6.997  -5.381   0.642  1.00  0.00      A       
ATOM    205  CB  ILE A  12       5.567  -5.995   0.890  1.00  0.00      A       
ATOM    206  CD1 ILE A  12       5.475  -6.131   3.536  1.00  0.00      A       
ATOM    207  CG1 ILE A  12       4.885  -5.575   2.226  1.00  0.00      A       
ATOM    208  CG2 ILE A  12       5.477  -7.539   0.749  1.00  0.00      A       
ATOM    209  HN  ILE A  12       6.025  -3.376   0.732  1.00  0.00      A       
ATOM    210  HA  ILE A  12       7.645  -5.724   1.471  1.00  0.00      A       
ATOM    211  HB  ILE A  12       4.924  -5.595   0.083  1.00  0.00      A       
ATOM    212 HD11 ILE A  12       6.572  -6.004   3.587  1.00  0.00      A       
ATOM    213 HD12 ILE A  12       5.045  -5.624   4.419  1.00  0.00      A       
ATOM    214 HD13 ILE A  12       5.260  -7.210   3.648  1.00  0.00      A       
ATOM    215 HG12 ILE A  12       4.851  -4.473   2.303  1.00  0.00      A       
ATOM    216 HG11 ILE A  12       3.824  -5.863   2.166  1.00  0.00      A       
ATOM    217 HG21 ILE A  12       4.473  -7.928   1.002  1.00  0.00      A       
ATOM    218 HG22 ILE A  12       5.688  -7.872  -0.285  1.00  0.00      A       
ATOM    219 HG23 ILE A  12       6.203  -8.052   1.406  1.00  0.00      A       
ATOM    220  N   ILE A  12       6.923  -3.878   0.722  1.00  0.00      A       
ATOM    221  O   ILE A  12       8.423  -6.912  -0.605  1.00  0.00      A       
ATOM    222  C   LEU A  13       9.578  -5.426  -3.169  1.00  0.00      A       
ATOM    223  CA  LEU A  13       8.030  -5.657  -3.138  1.00  0.00      A       
ATOM    224  CB  LEU A  13       7.238  -4.858  -4.230  1.00  0.00      A       
ATOM    225  CD1 LEU A  13       6.244  -6.361  -6.052  1.00  0.00      A       
ATOM    226  CD2 LEU A  13       5.073  -6.280  -3.836  1.00  0.00      A       
ATOM    227  CG  LEU A  13       5.940  -5.483  -4.826  1.00  0.00      A       
ATOM    228  HN  LEU A  13       6.688  -4.578  -1.750  1.00  0.00      A       
ATOM    229  HA  LEU A  13       7.888  -6.738  -3.331  1.00  0.00      A       
ATOM    230  HB2 LEU A  13       6.997  -3.845  -3.846  1.00  0.00      A       
ATOM    231  HB1 LEU A  13       7.917  -4.625  -5.073  1.00  0.00      A       
ATOM    232 HD11 LEU A  13       5.431  -7.077  -6.278  1.00  0.00      A       
ATOM    233 HD12 LEU A  13       6.377  -5.744  -6.959  1.00  0.00      A       
ATOM    234 HD13 LEU A  13       7.168  -6.955  -5.921  1.00  0.00      A       
ATOM    235 HD21 LEU A  13       4.884  -5.707  -2.917  1.00  0.00      A       
ATOM    236 HD22 LEU A  13       4.088  -6.536  -4.265  1.00  0.00      A       
ATOM    237 HD23 LEU A  13       5.549  -7.225  -3.519  1.00  0.00      A       
ATOM    238  HG  LEU A  13       5.314  -4.638  -5.180  1.00  0.00      A       
ATOM    239  N   LEU A  13       7.400  -5.322  -1.832  1.00  0.00      A       
ATOM    240  O   LEU A  13      10.360  -6.368  -3.261  1.00  0.00      A       
ATOM    241  HN1 NH2 A  14      11.109  -4.218  -2.972  1.00  0.00      A       
ATOM    242  HN2 NH2 A  14       9.434  -3.454  -2.876  1.00  0.00      A       
ATOM    243  N   NH2 A  14      10.092  -4.213  -3.084  1.00  0.00      A       
END


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