NMR Restraints Grid

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

image mrblock_id pdb_id cing in_recoord stage program type subtype
383402 1k0p cing recoord 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   ILE A   1       9.464   1.228   3.634  1.00  0.00      A       
ATOM      2  CA  ILE A   1       9.777   2.254   4.768  1.00  0.00      A       
ATOM      3  CB  ILE A   1       8.586   2.873   5.559  1.00  0.00      A       
ATOM      4  CD1 ILE A   1       8.216   4.472   7.489  1.00  0.00      A       
ATOM      5  CG1 ILE A   1       8.883   3.149   7.068  1.00  0.00      A       
ATOM      6  CG2 ILE A   1       7.206   2.190   5.385  1.00  0.00      A       
ATOM      7  HT1 ILE A   1      10.304   3.976   3.679  1.00  0.00      A       
ATOM      8  HT2 ILE A   1      10.993   3.915   5.157  1.00  0.00      A       
ATOM      9  HA  ILE A   1      10.255   1.745   5.568  1.00  0.00      A       
ATOM     10  HB  ILE A   1       8.584   3.850   5.129  1.00  0.00      A       
ATOM     11 HD11 ILE A   1       8.414   4.695   8.549  1.00  0.00      A       
ATOM     12 HD12 ILE A   1       8.610   5.315   6.888  1.00  0.00      A       
ATOM     13 HD13 ILE A   1       7.124   4.444   7.332  1.00  0.00      A       
ATOM     14 HG12 ILE A   1       8.555   2.311   7.705  1.00  0.00      A       
ATOM     15 HG11 ILE A   1       9.967   3.243   7.247  1.00  0.00      A       
ATOM     16 HG21 ILE A   1       6.407   2.704   5.937  1.00  0.00      A       
ATOM     17 HG22 ILE A   1       6.887   2.170   4.324  1.00  0.00      A       
ATOM     18 HG23 ILE A   1       7.233   1.138   5.729  1.00  0.00      A       
ATOM     19  N   ILE A   1      10.736   3.342   4.353  1.00  0.00      A       
ATOM     20  O   ILE A   1       9.871   0.067   3.691  1.00  0.00      A       
ATOM     21  C   CYS A   2       8.978   0.103   0.387  1.00  0.00      A       
ATOM     22  CA  CYS A   2       8.176   0.787   1.547  1.00  0.00      A       
ATOM     23  CB  CYS A   2       6.965   1.551   1.017  1.00  0.00      A       
ATOM     24  HN  CYS A   2       8.474   2.624   2.695  1.00  0.00      A       
ATOM     25  HA  CYS A   2       7.796  -0.060   2.091  1.00  0.00      A       
ATOM     26  HB2 CYS A   2       7.172   2.616   1.043  1.00  0.00      A       
ATOM     27  HB1 CYS A   2       6.761   1.278  -0.017  1.00  0.00      A       
ATOM     28  HG  CYS A   2       5.724   1.906   3.017  1.00  0.00      A       
ATOM     29  N   CYS A   2       8.848   1.676   2.535  1.00  0.00      A       
ATOM     30  O   CYS A   2       9.336   0.756  -0.597  1.00  0.00      A       
ATOM     31  SG  CYS A   2       5.440   1.196   1.929  1.00  0.00      A       
ATOM     32  C   GLU A   3       8.429  -2.949  -1.189  1.00  0.00      A       
ATOM     33  CA  GLU A   3       9.599  -2.062  -0.649  1.00  0.00      A       
ATOM     34  CB  GLU A   3      10.899  -2.855  -0.332  1.00  0.00      A       
ATOM     35  CD  GLU A   3      13.440  -2.522  -0.026  1.00  0.00      A       
ATOM     36  CG  GLU A   3      12.219  -2.266  -0.903  1.00  0.00      A       
ATOM     37  HN  GLU A   3       8.993  -1.571   1.396  1.00  0.00      A       
ATOM     38  HA  GLU A   3       9.784  -1.417  -1.539  1.00  0.00      A       
ATOM     39  HB2 GLU A   3      11.034  -2.913   0.771  1.00  0.00      A       
ATOM     40  HB1 GLU A   3      10.785  -3.909  -0.656  1.00  0.00      A       
ATOM     41  HE2 GLU A   3      15.324  -2.443  -0.068  1.00  0.00      A       
ATOM     42  HG2 GLU A   3      12.424  -2.666  -1.912  1.00  0.00      A       
ATOM     43  HG1 GLU A   3      12.130  -1.171  -1.028  1.00  0.00      A       
ATOM     44  N   GLU A   3       9.356  -1.171   0.522  1.00  0.00      A       
ATOM     45  O   GLU A   3       7.473  -3.232  -0.456  1.00  0.00      A       
ATOM     46  OE1 GLU A   3      13.376  -2.835   1.157  1.00  0.00      A       
ATOM     47  OE2 GLU A   3      14.608  -2.359  -0.700  1.00  0.00      A       
ATOM     48  C   GLU A   4       6.595  -5.169  -3.107  1.00  0.00      A       
ATOM     49  CA  GLU A   4       7.221  -3.750  -3.190  1.00  0.00      A       
ATOM     50  CB  GLU A   4       7.441  -3.229  -4.638  1.00  0.00      A       
ATOM     51  CD  GLU A   4       8.527  -4.318  -6.711  1.00  0.00      A       
ATOM     52  CG  GLU A   4       8.750  -3.685  -5.342  1.00  0.00      A       
ATOM     53  HN  GLU A   4       9.305  -3.094  -2.933  1.00  0.00      A       
ATOM     54  HA  GLU A   4       6.395  -3.156  -2.719  1.00  0.00      A       
ATOM     55  HB2 GLU A   4       6.577  -3.551  -5.254  1.00  0.00      A       
ATOM     56  HB1 GLU A   4       7.375  -2.126  -4.631  1.00  0.00      A       
ATOM     57  HE2 GLU A   4       8.453  -6.003  -7.558  1.00  0.00      A       
ATOM     58  HG2 GLU A   4       9.429  -2.825  -5.487  1.00  0.00      A       
ATOM     59  HG1 GLU A   4       9.306  -4.401  -4.712  1.00  0.00      A       
ATOM     60  N   GLU A   4       8.470  -3.427  -2.438  1.00  0.00      A       
ATOM     61  O   GLU A   4       5.391  -5.250  -3.441  1.00  0.00      A       
ATOM     62  OE1 GLU A   4       8.392  -3.677  -7.746  1.00  0.00      A       
ATOM     63  OE2 GLU A   4       8.504  -5.677  -6.658  1.00  0.00      A       
ATOM     64  C   PRO A   5       5.775  -6.940  -0.439  1.00  0.00      A       
ATOM     65  CA  PRO A   5       6.277  -7.266  -1.901  1.00  0.00      A       
ATOM     66  CB  PRO A   5       7.189  -8.477  -1.996  1.00  0.00      A       
ATOM     67  CD  PRO A   5       8.577  -6.520  -2.417  1.00  0.00      A       
ATOM     68  CG  PRO A   5       8.591  -7.903  -1.759  1.00  0.00      A       
ATOM     69  HA  PRO A   5       5.343  -7.370  -2.484  1.00  0.00      A       
ATOM     70  HB2 PRO A   5       6.932  -9.281  -1.280  1.00  0.00      A       
ATOM     71  HB1 PRO A   5       7.128  -8.926  -3.006  1.00  0.00      A       
ATOM     72  HD2 PRO A   5       9.086  -5.795  -1.754  1.00  0.00      A       
ATOM     73  HD1 PRO A   5       9.100  -6.515  -3.402  1.00  0.00      A       
ATOM     74  HG2 PRO A   5       8.772  -7.798  -0.672  1.00  0.00      A       
ATOM     75  HG1 PRO A   5       9.391  -8.554  -2.154  1.00  0.00      A       
ATOM     76  N   PRO A   5       7.140  -6.241  -2.530  1.00  0.00      A       
ATOM     77  O   PRO A   5       5.311  -7.812   0.292  1.00  0.00      A       
ATOM     78  C   THR A   6       4.283  -4.181   0.848  1.00  0.00      A       
ATOM     79  CA  THR A   6       5.510  -5.074   1.246  1.00  0.00      A       
ATOM     80  CB  THR A   6       6.606  -4.365   2.100  1.00  0.00      A       
ATOM     81  CG2 THR A   6       6.283  -4.307   3.603  1.00  0.00      A       
ATOM     82  HN  THR A   6       6.168  -5.066  -0.829  1.00  0.00      A       
ATOM     83  HA  THR A   6       5.118  -5.862   1.920  1.00  0.00      A       
ATOM     84  HB  THR A   6       6.753  -3.337   1.724  1.00  0.00      A       
ATOM     85  HG1 THR A   6       7.853  -5.697   2.731  1.00  0.00      A       
ATOM     86 HG21 THR A   6       5.203  -4.140   3.785  1.00  0.00      A       
ATOM     87 HG22 THR A   6       6.561  -5.241   4.125  1.00  0.00      A       
ATOM     88 HG23 THR A   6       6.821  -3.486   4.115  1.00  0.00      A       
ATOM     89  N   THR A   6       6.021  -5.701  -0.003  1.00  0.00      A       
ATOM     90  O   THR A   6       3.238  -4.255   1.487  1.00  0.00      A       
ATOM     91  OG1 THR A   6       7.846  -5.058   2.014  1.00  0.00      A       
ATOM     92  C   CYS A   7       2.148  -3.334  -1.706  1.00  0.00      A       
ATOM     93  CA  CYS A   7       3.346  -2.583  -0.927  1.00  0.00      A       
ATOM     94  CB  CYS A   7       3.951  -1.563  -1.848  1.00  0.00      A       
ATOM     95  HN  CYS A   7       5.119  -2.647   0.084  1.00  0.00      A       
ATOM     96  HA  CYS A   7       2.789  -2.220  -0.224  1.00  0.00      A       
ATOM     97  HB2 CYS A   7       4.118  -2.059  -2.831  1.00  0.00      A       
ATOM     98  HB1 CYS A   7       3.196  -0.780  -2.066  1.00  0.00      A       
ATOM     99  HG  CYS A   7       6.322  -1.620  -1.613  1.00  0.00      A       
ATOM    100  N   CYS A   7       4.467  -3.264  -0.088  1.00  0.00      A       
ATOM    101  O   CYS A   7       1.112  -2.813  -1.703  1.00  0.00      A       
ATOM    102  SG  CYS A   7       5.439  -0.650  -1.404  1.00  0.00      A       
ATOM    103  C   ARG A   8       0.745  -6.052  -1.395  1.00  0.00      A       
ATOM    104  CA  ARG A   8       1.630  -5.533  -2.600  1.00  0.00      A       
ATOM    105  CB  ARG A   8       2.326  -6.587  -3.470  1.00  0.00      A       
ATOM    106  CD  ARG A   8       2.225  -9.049  -4.323  1.00  0.00      A       
ATOM    107  CG  ARG A   8       2.114  -8.086  -3.131  1.00  0.00      A       
ATOM    108  CZ  ARG A   8       1.302 -11.333  -4.751  1.00  0.00      A       
ATOM    109  HN  ARG A   8       3.478  -4.555  -1.703  1.00  0.00      A       
ATOM    110  HA  ARG A   8       0.838  -5.061  -3.162  1.00  0.00      A       
ATOM    111  HB2 ARG A   8       1.927  -6.377  -4.464  1.00  0.00      A       
ATOM    112  HB1 ARG A   8       3.411  -6.389  -3.547  1.00  0.00      A       
ATOM    113  HD2 ARG A   8       1.586  -8.689  -5.167  1.00  0.00      A       
ATOM    114  HD1 ARG A   8       3.276  -9.043  -4.709  1.00  0.00      A       
ATOM    115  HG2 ARG A   8       2.826  -8.412  -2.351  1.00  0.00      A       
ATOM    116  HG1 ARG A   8       1.114  -8.221  -2.684  1.00  0.00      A       
ATOM    117 HH11 ARG A   8       1.452 -10.258  -6.371  1.00  0.00      A       
ATOM    118 HH12 ARG A   8       0.667 -11.917  -6.536  1.00  0.00      A       
ATOM    119 HH21 ARG A   8       1.141 -12.504  -3.241  1.00  0.00      A       
ATOM    120 HH22 ARG A   8       0.583 -13.165  -4.878  1.00  0.00      A       
ATOM    121  N   ARG A   8       2.570  -4.455  -2.207  1.00  0.00      A       
ATOM    122  NE  ARG A   8       1.830 -10.427  -3.934  1.00  0.00      A       
ATOM    123  NH1 ARG A   8       1.093 -11.148  -6.021  1.00  0.00      A       
ATOM    124  NH2 ARG A   8       0.988 -12.473  -4.250  1.00  0.00      A       
ATOM    125  O   ARG A   8      -0.483  -6.053  -1.438  1.00  0.00      A       
ATOM    126  C   ASN A   9       0.149  -4.980   1.576  1.00  0.00      A       
ATOM    127  CA  ASN A   9       0.946  -6.272   1.115  1.00  0.00      A       
ATOM    128  CB  ASN A   9       2.120  -6.798   2.017  1.00  0.00      A       
ATOM    129  CG  ASN A   9       2.273  -8.333   2.027  1.00  0.00      A       
ATOM    130  HN  ASN A   9       2.449  -6.135  -0.459  1.00  0.00      A       
ATOM    131  HA  ASN A   9       0.204  -7.083   1.231  1.00  0.00      A       
ATOM    132  HB2 ASN A   9       3.104  -6.403   1.738  1.00  0.00      A       
ATOM    133  HB1 ASN A   9       1.916  -6.487   3.057  1.00  0.00      A       
ATOM    134 HD21 ASN A   9       3.235  -8.272   3.771  1.00  0.00      A       
ATOM    135 HD22 ASN A   9       2.983  -9.900   2.953  1.00  0.00      A       
ATOM    136  N   ASN A   9       1.437  -6.330  -0.283  1.00  0.00      A       
ATOM    137  ND2 ASN A   9       2.847  -8.892   3.058  1.00  0.00      A       
ATOM    138  O   ASN A   9      -0.758  -5.154   2.385  1.00  0.00      A       
ATOM    139  OD1 ASN A   9       1.878  -9.031   1.104  1.00  0.00      A       
ATOM    140  C   ARG A  10      -1.249  -1.813   0.276  1.00  0.00      A       
ATOM    141  CA  ARG A  10      -0.141  -2.386   1.389  1.00  0.00      A       
ATOM    142  CB  ARG A  10       0.835  -1.337   1.887  1.00  0.00      A       
ATOM    143  CD  ARG A  10       3.122  -0.873   3.044  1.00  0.00      A       
ATOM    144  CG  ARG A  10       1.845  -1.726   2.991  1.00  0.00      A       
ATOM    145  CZ  ARG A  10       3.094  -0.220   5.457  1.00  0.00      A       
ATOM    146  HN  ARG A  10       1.366  -3.740   0.689  1.00  0.00      A       
ATOM    147  HA  ARG A  10      -0.951  -2.528   1.958  1.00  0.00      A       
ATOM    148  HB2 ARG A  10       1.352  -0.826   1.060  1.00  0.00      A       
ATOM    149  HB1 ARG A  10       0.117  -0.606   2.296  1.00  0.00      A       
ATOM    150  HD2 ARG A  10       3.852  -1.308   2.363  1.00  0.00      A       
ATOM    151  HD1 ARG A  10       2.883   0.136   2.700  1.00  0.00      A       
ATOM    152  HG2 ARG A  10       1.367  -1.689   3.988  1.00  0.00      A       
ATOM    153  HG1 ARG A  10       2.148  -2.780   2.862  1.00  0.00      A       
ATOM    154 HH11 ARG A  10       1.603   0.526   4.446  1.00  0.00      A       
ATOM    155 HH12 ARG A  10       1.731   1.002   6.221  1.00  0.00      A       
ATOM    156 HH21 ARG A  10       4.427  -1.010   6.586  1.00  0.00      A       
ATOM    157 HH22 ARG A  10       3.242   0.169   7.385  1.00  0.00      A       
ATOM    158  N   ARG A  10       0.515  -3.750   1.239  1.00  0.00      A       
ATOM    159  NE  ARG A  10       3.672  -0.823   4.423  1.00  0.00      A       
ATOM    160  NH1 ARG A  10       2.012   0.498   5.380  1.00  0.00      A       
ATOM    161  NH2 ARG A  10       3.650  -0.348   6.607  1.00  0.00      A       
ATOM    162  O   ARG A  10      -1.957  -0.962   0.681  1.00  0.00      A       
ATOM    163  C   THR A  11      -3.269  -3.332  -1.345  1.00  0.00      A       
ATOM    164  CA  THR A  11      -2.006  -2.562  -1.839  1.00  0.00      A       
ATOM    165  CB  THR A  11      -1.274  -3.189  -3.022  1.00  0.00      A       
ATOM    166  CG2 THR A  11      -2.282  -3.808  -4.025  1.00  0.00      A       
ATOM    167  HN  THR A  11      -0.578  -3.300  -0.524  1.00  0.00      A       
ATOM    168  HA  THR A  11      -2.180  -1.565  -1.954  1.00  0.00      A       
ATOM    169  HB  THR A  11      -0.604  -3.862  -2.389  1.00  0.00      A       
ATOM    170  HG1 THR A  11       0.374  -2.740  -3.921  1.00  0.00      A       
ATOM    171 HG21 THR A  11      -1.992  -4.211  -4.939  1.00  0.00      A       
ATOM    172 HG22 THR A  11      -3.023  -4.481  -3.501  1.00  0.00      A       
ATOM    173 HG23 THR A  11      -2.982  -2.957  -4.319  1.00  0.00      A       
ATOM    174  N   THR A  11      -0.995  -2.412  -0.738  1.00  0.00      A       
ATOM    175  O   THR A  11      -4.405  -2.976  -1.570  1.00  0.00      A       
ATOM    176  OG1 THR A  11      -0.469  -2.288  -3.769  1.00  0.00      A       
ATOM    177  C   ARG A  12      -4.253  -4.551   1.641  1.00  0.00      A       
ATOM    178  CA  ARG A  12      -3.593  -5.234   0.400  1.00  0.00      A       
ATOM    179  CB  ARG A  12      -2.546  -6.418   0.639  1.00  0.00      A       
ATOM    180  CD  ARG A  12      -2.921  -6.455   3.208  1.00  0.00      A       
ATOM    181  CG  ARG A  12      -2.511  -7.235   1.922  1.00  0.00      A       
ATOM    182  CZ  ARG A  12      -4.101  -7.232   5.271  1.00  0.00      A       
ATOM    183  HN  ARG A  12      -1.873  -4.520  -0.731  1.00  0.00      A       
ATOM    184  HA  ARG A  12      -4.338  -5.624  -0.062  1.00  0.00      A       
ATOM    185  HB2 ARG A  12      -2.635  -7.069  -0.245  1.00  0.00      A       
ATOM    186  HB1 ARG A  12      -1.776  -5.715   0.401  1.00  0.00      A       
ATOM    187  HD2 ARG A  12      -2.111  -5.763   3.467  1.00  0.00      A       
ATOM    188  HD1 ARG A  12      -3.800  -5.818   3.022  1.00  0.00      A       
ATOM    189  HG2 ARG A  12      -3.173  -8.117   1.875  1.00  0.00      A       
ATOM    190  HG1 ARG A  12      -1.501  -7.632   2.110  1.00  0.00      A       
ATOM    191 HH11 ARG A  12      -4.963  -5.688   4.449  1.00  0.00      A       
ATOM    192 HH12 ARG A  12      -5.718  -6.343   5.998  1.00  0.00      A       
ATOM    193 HH21 ARG A  12      -3.335  -8.736   6.180  1.00  0.00      A       
ATOM    194 HH22 ARG A  12      -4.891  -8.029   6.894  1.00  0.00      A       
ATOM    195  N   ARG A  12      -2.878  -4.368  -0.618  1.00  0.00      A       
ATOM    196  NE  ARG A  12      -3.160  -7.373   4.343  1.00  0.00      A       
ATOM    197  NH1 ARG A  12      -5.018  -6.310   5.258  1.00  0.00      A       
ATOM    198  NH2 ARG A  12      -4.110  -8.074   6.240  1.00  0.00      A       
ATOM    199  O   ARG A  12      -5.451  -4.662   1.877  1.00  0.00      A       
ATOM    200  C   HIS A  13      -4.149  -1.320   2.317  1.00  0.00      A       
ATOM    201  CA  HIS A  13      -3.551  -2.536   3.131  1.00  0.00      A       
ATOM    202  CB  HIS A  13      -2.453  -2.196   4.188  1.00  0.00      A       
ATOM    203  CD2 HIS A  13      -0.682  -3.451   5.626  1.00  0.00      A       
ATOM    204  CE1 HIS A  13      -1.809  -5.160   6.111  1.00  0.00      A       
ATOM    205  CG  HIS A  13      -1.934  -3.382   4.995  1.00  0.00      A       
ATOM    206  HN  HIS A  13      -2.497  -4.284   2.423  1.00  0.00      A       
ATOM    207  HA  HIS A  13      -4.562  -2.505   3.365  1.00  0.00      A       
ATOM    208  HB2 HIS A  13      -1.621  -1.669   3.706  1.00  0.00      A       
ATOM    209  HB1 HIS A  13      -2.860  -1.469   4.911  1.00  0.00      A       
ATOM    210  HD2 HIS A  13       0.057  -2.660   5.621  1.00  0.00      A       
ATOM    211  HE1 HIS A  13      -2.119  -6.071   6.607  1.00  0.00      A       
ATOM    212  HE2 HIS A  13       0.128  -4.873   7.055  1.00  0.00      A       
ATOM    213  N   HIS A  13      -3.415  -3.842   2.371  1.00  0.00      A       
ATOM    214  ND1 HIS A  13      -2.690  -4.509   5.287  1.00  0.00      A       
ATOM    215  NE2 HIS A  13      -0.575  -4.621   6.352  1.00  0.00      A       
ATOM    216  O   HIS A  13      -4.862  -0.476   2.778  1.00  0.00      A       
ATOM    217  C   LEU A  14      -6.400  -1.189   0.261  1.00  0.00      A       
ATOM    218  CA  LEU A  14      -4.880  -0.781   0.099  1.00  0.00      A       
ATOM    219  CB  LEU A  14      -4.260  -0.605  -1.342  1.00  0.00      A       
ATOM    220  CD1 LEU A  14      -5.533   1.146  -2.717  1.00  0.00      A       
ATOM    221  CD2 LEU A  14      -5.146  -1.049  -3.728  1.00  0.00      A       
ATOM    222  CG  LEU A  14      -5.335  -0.332  -2.408  1.00  0.00      A       
ATOM    223  HN  LEU A  14      -3.495  -2.218   0.898  1.00  0.00      A       
ATOM    224  HA  LEU A  14      -4.895   0.043   0.579  1.00  0.00      A       
ATOM    225  HB2 LEU A  14      -3.497   0.115  -1.348  1.00  0.00      A       
ATOM    226  HB1 LEU A  14      -3.894  -1.545  -1.624  1.00  0.00      A       
ATOM    227 HD11 LEU A  14      -4.566   1.536  -3.039  1.00  0.00      A       
ATOM    228 HD12 LEU A  14      -6.321   1.298  -3.412  1.00  0.00      A       
ATOM    229 HD13 LEU A  14      -5.814   1.632  -1.744  1.00  0.00      A       
ATOM    230 HD21 LEU A  14      -4.131  -0.830  -4.056  1.00  0.00      A       
ATOM    231 HD22 LEU A  14      -5.282  -2.139  -3.576  1.00  0.00      A       
ATOM    232 HD23 LEU A  14      -5.915  -0.730  -4.395  1.00  0.00      A       
ATOM    233  HG  LEU A  14      -6.279  -0.726  -1.914  1.00  0.00      A       
ATOM    234  N   LEU A  14      -3.868  -1.425   1.005  1.00  0.00      A       
ATOM    235  O   LEU A  14      -7.127  -0.258   0.624  1.00  0.00      A       
ATOM    236  C   PRO A  15      -8.230  -2.375   2.500  1.00  0.00      A       
ATOM    237  CA  PRO A  15      -8.138  -2.612   0.974  1.00  0.00      A       
ATOM    238  CB  PRO A  15      -8.310  -4.123   0.713  1.00  0.00      A       
ATOM    239  CD  PRO A  15      -6.705  -3.415  -0.862  1.00  0.00      A       
ATOM    240  CG  PRO A  15      -8.082  -4.169  -0.789  1.00  0.00      A       
ATOM    241  HA  PRO A  15      -8.836  -1.860   0.592  1.00  0.00      A       
ATOM    242  HB2 PRO A  15      -7.506  -4.582   1.326  1.00  0.00      A       
ATOM    243  HB1 PRO A  15      -9.291  -4.381   1.075  1.00  0.00      A       
ATOM    244  HD2 PRO A  15      -5.934  -4.169  -0.653  1.00  0.00      A       
ATOM    245  HD1 PRO A  15      -6.585  -2.975  -1.889  1.00  0.00      A       
ATOM    246  HG2 PRO A  15      -8.013  -5.189  -1.195  1.00  0.00      A       
ATOM    247  HG1 PRO A  15      -8.851  -3.616  -1.352  1.00  0.00      A       
ATOM    248  N   PRO A  15      -6.849  -2.401   0.164  1.00  0.00      A       
ATOM    249  O   PRO A  15      -9.153  -2.694   3.201  1.00  0.00      A       
ATOM    250  C   LEU A  16      -7.604   0.429   3.972  1.00  0.00      A       
ATOM    251  CA  LEU A  16      -7.098  -1.048   4.202  1.00  0.00      A       
ATOM    252  CB  LEU A  16      -5.823  -1.239   5.064  1.00  0.00      A       
ATOM    253  CD1 LEU A  16      -4.809  -2.087   7.259  1.00  0.00      A       
ATOM    254  CD2 LEU A  16      -6.268  -0.144   7.323  1.00  0.00      A       
ATOM    255  CG  LEU A  16      -6.011  -1.449   6.576  1.00  0.00      A       
ATOM    256  HN  LEU A  16      -6.483  -1.776   2.273  1.00  0.00      A       
ATOM    257  HA  LEU A  16      -7.907  -1.501   4.658  1.00  0.00      A       
ATOM    258  HB2 LEU A  16      -5.190  -2.073   4.643  1.00  0.00      A       
ATOM    259  HB1 LEU A  16      -5.178  -0.342   4.889  1.00  0.00      A       
ATOM    260 HD11 LEU A  16      -3.892  -1.480   7.074  1.00  0.00      A       
ATOM    261 HD12 LEU A  16      -4.926  -2.199   8.329  1.00  0.00      A       
ATOM    262 HD13 LEU A  16      -4.596  -3.091   6.821  1.00  0.00      A       
ATOM    263 HD21 LEU A  16      -6.375  -0.309   8.417  1.00  0.00      A       
ATOM    264 HD22 LEU A  16      -5.445   0.586   7.205  1.00  0.00      A       
ATOM    265 HD23 LEU A  16      -7.194   0.363   6.985  1.00  0.00      A       
ATOM    266  HG  LEU A  16      -6.878  -2.131   6.689  1.00  0.00      A       
ATOM    267  N   LEU A  16      -7.055  -1.895   2.984  1.00  0.00      A       
ATOM    268  O   LEU A  16      -7.042   1.402   4.465  1.00  0.00      A       
ATOM    269  C   GLN A  17      -9.934   2.807   2.921  1.00  0.00      A       
ATOM    270  CA  GLN A  17      -8.999   1.727   2.290  1.00  0.00      A       
ATOM    271  CB  GLN A  17      -9.448   1.251   0.875  1.00  0.00      A       
ATOM    272  CD  GLN A  17     -11.211  -0.126  -0.452  1.00  0.00      A       
ATOM    273  CG  GLN A  17     -10.940   0.831   0.706  1.00  0.00      A       
ATOM    274  HN  GLN A  17      -9.113  -0.348   2.993  1.00  0.00      A       
ATOM    275  HA  GLN A  17      -8.068   2.361   2.122  1.00  0.00      A       
ATOM    276  HB2 GLN A  17      -9.210   2.063   0.160  1.00  0.00      A       
ATOM    277  HB1 GLN A  17      -8.797   0.420   0.553  1.00  0.00      A       
ATOM    278 HE21 GLN A  17      -9.818   0.768  -1.541  1.00  0.00      A       
ATOM    279 HE22 GLN A  17     -10.710  -0.676  -2.267  1.00  0.00      A       
ATOM    280  HG2 GLN A  17     -11.293   0.339   1.630  1.00  0.00      A       
ATOM    281  HG1 GLN A  17     -11.589   1.721   0.600  1.00  0.00      A       
ATOM    282  N   GLN A  17      -8.599   0.542   3.080  1.00  0.00      A       
ATOM    283  NE2 GLN A  17     -10.543   0.046  -1.563  1.00  0.00      A       
ATOM    284  O   GLN A  17     -11.125   2.871   2.621  1.00  0.00      A       
ATOM    285  OE1 GLN A  17     -12.028  -1.036  -0.372  1.00  0.00      A       
ATOM    286  C   PHE A  18      -9.106   5.889   2.196  1.00  0.00      A       
ATOM    287  CA  PHE A  18      -9.483   5.207   3.576  1.00  0.00      A       
ATOM    288  CB  PHE A  18      -8.489   5.767   4.628  1.00  0.00      A       
ATOM    289  CD1 PHE A  18      -9.747   5.729   6.810  1.00  0.00      A       
ATOM    290  CD2 PHE A  18      -8.398   7.665   6.218  1.00  0.00      A       
ATOM    291  CE1 PHE A  18     -10.173   6.387   7.953  1.00  0.00      A       
ATOM    292  CE2 PHE A  18      -8.828   8.312   7.360  1.00  0.00      A       
ATOM    293  CG  PHE A  18      -8.834   6.351   5.972  1.00  0.00      A       
ATOM    294  CZ  PHE A  18      -9.711   7.677   8.240  1.00  0.00      A       
ATOM    295  HN  PHE A  18      -8.402   3.380   3.936  1.00  0.00      A       
ATOM    296  HA  PHE A  18     -10.521   5.468   3.800  1.00  0.00      A       
ATOM    297  HB2 PHE A  18      -7.695   4.977   4.844  1.00  0.00      A       
ATOM    298  HB1 PHE A  18      -7.838   6.564   4.150  1.00  0.00      A       
ATOM    299  HD1 PHE A  18     -10.118   4.746   6.588  1.00  0.00      A       
ATOM    300  HD2 PHE A  18      -7.732   8.163   5.542  1.00  0.00      A       
ATOM    301  HE1 PHE A  18     -10.914   5.866   8.519  1.00  0.00      A       
ATOM    302  HE2 PHE A  18      -8.497   9.329   7.454  1.00  0.00      A       
ATOM    303  HZ  PHE A  18     -10.022   8.175   9.146  1.00  0.00      A       
ATOM    304  N   PHE A  18      -9.356   3.743   3.656  1.00  0.00      A       
ATOM    305  O   PHE A  18      -9.406   7.039   1.900  1.00  0.00      A       
ATOM    306  C   SER A  19      -7.999   4.372  -0.912  1.00  0.00      A       
ATOM    307  CA  SER A  19      -7.583   5.428   0.169  1.00  0.00      A       
ATOM    308  CB  SER A  19      -6.061   5.555   0.423  1.00  0.00      A       
ATOM    309  HN  SER A  19      -7.864   4.403   2.063  1.00  0.00      A       
ATOM    310  HA  SER A  19      -7.748   6.421  -0.226  1.00  0.00      A       
ATOM    311  HB2 SER A  19      -5.498   4.783  -0.134  1.00  0.00      A       
ATOM    312  HB1 SER A  19      -5.762   6.517  -0.028  1.00  0.00      A       
ATOM    313  HG  SER A  19      -5.894   4.780   2.217  1.00  0.00      A       
ATOM    314  N   SER A  19      -8.295   5.116   1.426  1.00  0.00      A       
ATOM    315  O   SER A  19      -7.737   3.178  -0.778  1.00  0.00      A       
ATOM    316  OG  SER A  19      -5.633   5.614   1.789  1.00  0.00      A       
ATOM    317  C   ARG A  20      -7.245   4.661  -4.250  1.00  0.00      A       
ATOM    318  CA  ARG A  20      -8.429   4.141  -3.357  1.00  0.00      A       
ATOM    319  CB  ARG A  20      -9.810   4.009  -4.022  1.00  0.00      A       
ATOM    320  CD  ARG A  20      -9.513   1.669  -5.101  1.00  0.00      A       
ATOM    321  CG  ARG A  20      -9.914   3.147  -5.309  1.00  0.00      A       
ATOM    322  CZ  ARG A  20      -9.161   0.840  -7.433  1.00  0.00      A       
ATOM    323  HN  ARG A  20      -8.521   5.877  -2.028  1.00  0.00      A       
ATOM    324  HA  ARG A  20      -8.032   3.150  -3.176  1.00  0.00      A       
ATOM    325  HB2 ARG A  20     -10.558   3.641  -3.294  1.00  0.00      A       
ATOM    326  HB1 ARG A  20     -10.084   5.042  -4.235  1.00  0.00      A       
ATOM    327  HD2 ARG A  20      -8.424   1.591  -4.888  1.00  0.00      A       
ATOM    328  HD1 ARG A  20     -10.005   1.264  -4.191  1.00  0.00      A       
ATOM    329  HG2 ARG A  20     -10.946   3.162  -5.695  1.00  0.00      A       
ATOM    330  HG1 ARG A  20      -9.277   3.556  -6.112  1.00  0.00      A       
ATOM    331 HH11 ARG A  20      -7.781   2.085  -6.844  1.00  0.00      A       
ATOM    332 HH12 ARG A  20      -7.737   1.560  -8.610  1.00  0.00      A       
ATOM    333 HH21 ARG A  20     -10.385  -0.485  -8.081  1.00  0.00      A       
ATOM    334 HH22 ARG A  20      -9.103   0.125  -9.270  1.00  0.00      A       
ATOM    335  N   ARG A  20      -8.525   4.841  -2.046  1.00  0.00      A       
ATOM    336  NE  ARG A  20      -9.848   0.851  -6.293  1.00  0.00      A       
ATOM    337  NH1 ARG A  20      -8.096   1.552  -7.656  1.00  0.00      A       
ATOM    338  NH2 ARG A  20      -9.575   0.066  -8.369  1.00  0.00      A       
ATOM    339  O   ARG A  20      -7.442   5.401  -5.212  1.00  0.00      A       
ATOM    340  C   THR A  21      -4.736   6.550  -3.410  1.00  0.00      A       
ATOM    341  CA  THR A  21      -4.815   5.175  -4.181  1.00  0.00      A       
ATOM    342  CB  THR A  21      -4.622   5.225  -5.706  1.00  0.00      A       
ATOM    343  CG2 THR A  21      -5.311   3.995  -6.363  1.00  0.00      A       
ATOM    344  HN  THR A  21      -5.930   3.399  -3.521  1.00  0.00      A       
ATOM    345  HA  THR A  21      -4.033   4.557  -3.741  1.00  0.00      A       
ATOM    346  HB  THR A  21      -3.516   5.311  -5.779  1.00  0.00      A       
ATOM    347  HG1 THR A  21      -4.628   6.570  -7.090  1.00  0.00      A       
ATOM    348 HG21 THR A  21      -6.410   4.048  -6.368  1.00  0.00      A       
ATOM    349 HG22 THR A  21      -5.024   3.957  -7.479  1.00  0.00      A       
ATOM    350 HG23 THR A  21      -5.014   3.031  -5.953  1.00  0.00      A       
ATOM    351  N   THR A  21      -6.016   4.375  -3.821  1.00  0.00      A       
ATOM    352  O   THR A  21      -4.322   7.578  -3.937  1.00  0.00      A       
ATOM    353  OG1 THR A  21      -5.185   6.378  -6.321  1.00  0.00      A       
ATOM    354  C   GLY A  22      -3.888   7.669  -0.052  1.00  0.00      A       
ATOM    355  CA  GLY A  22      -4.966   7.647  -1.176  1.00  0.00      A       
ATOM    356  HN  GLY A  22      -5.686   5.713  -1.927  1.00  0.00      A       
ATOM    357  HA2 GLY A  22      -4.901   8.606  -1.735  1.00  0.00      A       
ATOM    358  HA1 GLY A  22      -5.957   7.731  -0.677  1.00  0.00      A       
ATOM    359  N   GLY A  22      -5.013   6.480  -2.094  1.00  0.00      A       
ATOM    360  O   GLY A  22      -4.115   8.438   0.887  1.00  0.00      A       
ATOM    361  C   PRO A  23      -1.808   4.604  -0.995  1.00  0.00      A       
ATOM    362  CA  PRO A  23      -2.170   6.117  -1.166  1.00  0.00      A       
ATOM    363  CB  PRO A  23      -0.879   6.982  -1.282  1.00  0.00      A       
ATOM    364  CD  PRO A  23      -1.662   7.206   0.972  1.00  0.00      A       
ATOM    365  CG  PRO A  23      -0.378   7.104   0.161  1.00  0.00      A       
ATOM    366  HA  PRO A  23      -2.744   6.241  -2.095  1.00  0.00      A       
ATOM    367  HB2 PRO A  23      -0.119   6.542  -1.933  1.00  0.00      A       
ATOM    368  HB1 PRO A  23      -1.121   7.966  -1.728  1.00  0.00      A       
ATOM    369  HD2 PRO A  23      -1.574   6.394   1.727  1.00  0.00      A       
ATOM    370  HD1 PRO A  23      -1.775   8.180   1.486  1.00  0.00      A       
ATOM    371  HG2 PRO A  23       0.220   6.203   0.463  1.00  0.00      A       
ATOM    372  HG1 PRO A  23       0.302   7.976   0.333  1.00  0.00      A       
ATOM    373  N   PRO A  23      -2.735   6.942  -0.039  1.00  0.00      A       
ATOM    374  O   PRO A  23      -0.778   4.316  -0.331  1.00  0.00      A       
ATOM    375  C   LEU A  24      -1.968   1.143  -2.576  1.00  0.00      A       
ATOM    376  CA  LEU A  24      -2.025   2.181  -1.424  1.00  0.00      A       
ATOM    377  CB  LEU A  24      -2.781   1.608  -0.189  1.00  0.00      A       
ATOM    378  CD1 LEU A  24      -4.379   2.804   1.414  1.00  0.00      A       
ATOM    379  CD2 LEU A  24      -2.425   1.677   2.329  1.00  0.00      A       
ATOM    380  CG  LEU A  24      -2.936   2.431   1.102  1.00  0.00      A       
ATOM    381  HN  LEU A  24      -3.408   3.844  -1.851  1.00  0.00      A       
ATOM    382  HA  LEU A  24      -0.988   2.260  -1.244  1.00  0.00      A       
ATOM    383  HB2 LEU A  24      -3.770   1.248  -0.557  1.00  0.00      A       
ATOM    384  HB1 LEU A  24      -2.412   0.548   0.003  1.00  0.00      A       
ATOM    385 HD11 LEU A  24      -4.436   3.560   2.252  1.00  0.00      A       
ATOM    386 HD12 LEU A  24      -4.919   3.246   0.574  1.00  0.00      A       
ATOM    387 HD13 LEU A  24      -5.007   2.003   1.792  1.00  0.00      A       
ATOM    388 HD21 LEU A  24      -2.997   0.752   2.515  1.00  0.00      A       
ATOM    389 HD22 LEU A  24      -1.357   1.427   2.237  1.00  0.00      A       
ATOM    390 HD23 LEU A  24      -2.515   2.290   3.265  1.00  0.00      A       
ATOM    391  HG  LEU A  24      -2.355   3.361   0.963  1.00  0.00      A       
ATOM    392  N   LEU A  24      -2.433   3.608  -1.640  1.00  0.00      A       
ATOM    393  O   LEU A  24      -2.857   1.019  -3.390  1.00  0.00      A       
ATOM    394  C   CYS A  25       1.521   0.974  -3.577  1.00  0.00      A       
ATOM    395  CA  CYS A  25       0.546   0.781  -2.396  1.00  0.00      A       
ATOM    396  CB  CYS A  25       1.089  -0.134  -1.196  1.00  0.00      A       
ATOM    397  HN  CYS A  25      -0.982  -0.165  -2.125  1.00  0.00      A       
ATOM    398  HA  CYS A  25       0.599   1.645  -1.944  1.00  0.00      A       
ATOM    399  HB2 CYS A  25       0.188  -0.147  -0.613  1.00  0.00      A       
ATOM    400  HB1 CYS A  25       1.476  -0.468  -1.620  1.00  0.00      A       
ATOM    401  HG  CYS A  25       1.245   1.946  -0.081  1.00  0.00      A       
ATOM    402  N   CYS A  25      -0.871   0.389  -2.638  1.00  0.00      A       
ATOM    403  O   CYS A  25       2.587   1.476  -3.186  1.00  0.00      A       
ATOM    404  SG  CYS A  25       2.210   1.054  -0.211  1.00  0.00      A       
ATOM    405  C   PRO A  26       1.006   3.301  -5.717  1.00  0.00      A       
ATOM    406  CA  PRO A  26       1.808   1.968  -5.707  1.00  0.00      A       
ATOM    407  CB  PRO A  26       1.815   1.197  -7.001  1.00  0.00      A       
ATOM    408  CD  PRO A  26       0.035   0.363  -5.481  1.00  0.00      A       
ATOM    409  CG  PRO A  26       0.332   0.691  -6.960  1.00  0.00      A       
ATOM    410  HA  PRO A  26       2.786   2.247  -5.330  1.00  0.00      A       
ATOM    411  HB2 PRO A  26       1.987   1.819  -7.861  1.00  0.00      A       
ATOM    412  HB1 PRO A  26       2.503   0.368  -6.970  1.00  0.00      A       
ATOM    413  HD2 PRO A  26      -0.905   0.836  -5.130  1.00  0.00      A       
ATOM    414  HD1 PRO A  26      -0.038  -0.730  -5.373  1.00  0.00      A       
ATOM    415  HG2 PRO A  26      -0.338   1.442  -7.370  1.00  0.00      A       
ATOM    416  HG1 PRO A  26       0.287  -0.228  -7.559  1.00  0.00      A       
ATOM    417  N   PRO A  26       1.241   0.903  -4.821  1.00  0.00      A       
ATOM    418  O   PRO A  26       1.199   4.138  -6.609  1.00  0.00      A       
ATOM    419  C   ALA A  27       1.165   5.387  -3.314  1.00  0.00      A       
ATOM    420  CA  ALA A  27      -0.005   4.986  -4.286  1.00  0.00      A       
ATOM    421  CB  ALA A  27      -1.436   5.117  -3.737  1.00  0.00      A       
ATOM    422  HN  ALA A  27       0.029   2.825  -4.000  1.00  0.00      A       
ATOM    423  HA  ALA A  27       0.084   5.696  -5.134  1.00  0.00      A       
ATOM    424  HB1 ALA A  27      -2.156   4.885  -4.556  1.00  0.00      A       
ATOM    425  HB2 ALA A  27      -1.607   4.320  -2.972  1.00  0.00      A       
ATOM    426  HB3 ALA A  27      -1.641   6.065  -3.322  1.00  0.00      A       
ATOM    427  N   ALA A  27       0.149   3.565  -4.733  1.00  0.00      A       
ATOM    428  O   ALA A  27       1.280   6.550  -2.924  1.00  0.00      A       
ATOM    429  C   CYS A  28       4.034   5.845  -1.803  1.00  0.00      A       
ATOM    430  CA  CYS A  28       2.958   4.703  -1.770  1.00  0.00      A       
ATOM    431  CB  CYS A  28       3.456   3.355  -1.217  1.00  0.00      A       
ATOM    432  HN  CYS A  28       1.984   3.565  -3.445  1.00  0.00      A       
ATOM    433  HA  CYS A  28       2.254   5.019  -0.971  1.00  0.00      A       
ATOM    434  HB2 CYS A  28       3.133   3.185  -0.157  1.00  0.00      A       
ATOM    435  HB1 CYS A  28       2.926   2.534  -1.736  1.00  0.00      A       
ATOM    436  HG  CYS A  28       5.588   3.641  -0.143  1.00  0.00      A       
ATOM    437  N   CYS A  28       2.162   4.508  -3.013  1.00  0.00      A       
ATOM    438  O   CYS A  28       4.835   5.926  -2.736  1.00  0.00      A       
ATOM    439  SG  CYS A  28       5.268   3.159  -1.342  1.00  0.00      A       
ATOM    440  C   MET A  29       5.943   7.332   0.660  1.00  0.00      A       
ATOM    441  CA  MET A  29       5.095   7.739  -0.598  1.00  0.00      A       
ATOM    442  CB  MET A  29       4.486   9.169  -0.586  1.00  0.00      A       
ATOM    443  CE  MET A  29       3.140  12.313  -1.708  1.00  0.00      A       
ATOM    444  CG  MET A  29       3.922   9.659  -1.939  1.00  0.00      A       
ATOM    445  HN  MET A  29       3.002   7.050  -0.639  1.00  0.00      A       
ATOM    446  HA  MET A  29       5.809   7.710  -1.451  1.00  0.00      A       
ATOM    447  HB2 MET A  29       3.668   9.229   0.159  1.00  0.00      A       
ATOM    448  HB1 MET A  29       5.248   9.891  -0.232  1.00  0.00      A       
ATOM    449  HE1 MET A  29       2.407  13.058  -2.065  1.00  0.00      A       
ATOM    450  HE2 MET A  29       3.459  12.598  -0.689  1.00  0.00      A       
ATOM    451  HE3 MET A  29       4.025  12.357  -2.369  1.00  0.00      A       
ATOM    452  HG2 MET A  29       4.681  10.242  -2.493  1.00  0.00      A       
ATOM    453  HG1 MET A  29       3.675   8.802  -2.594  1.00  0.00      A       
ATOM    454  N   MET A  29       3.969   6.810  -0.883  1.00  0.00      A       
ATOM    455  O   MET A  29       6.102   8.083   1.620  1.00  0.00      A       
ATOM    456  SD  MET A  29       2.432  10.657  -1.717  1.00  0.00      A       
ATOM    457  C   LYS A  30       8.671   4.932   1.320  1.00  0.00      A       
ATOM    458  CA  LYS A  30       7.260   5.477   1.725  1.00  0.00      A       
ATOM    459  CB  LYS A  30       6.304   4.411   2.358  1.00  0.00      A       
ATOM    460  CD  LYS A  30       3.853   4.956   1.587  1.00  0.00      A       
ATOM    461  CE  LYS A  30       2.355   4.873   1.962  1.00  0.00      A       
ATOM    462  CG  LYS A  30       4.873   4.875   2.755  1.00  0.00      A       
ATOM    463  HN  LYS A  30       6.222   5.595  -0.176  1.00  0.00      A       
ATOM    464  HA  LYS A  30       7.426   6.262   2.456  1.00  0.00      A       
ATOM    465  HB2 LYS A  30       6.251   3.511   1.718  1.00  0.00      A       
ATOM    466  HB1 LYS A  30       6.787   4.058   3.288  1.00  0.00      A       
ATOM    467  HD2 LYS A  30       4.007   5.886   1.016  1.00  0.00      A       
ATOM    468  HD1 LYS A  30       4.094   4.167   0.850  1.00  0.00      A       
ATOM    469  HE2 LYS A  30       2.082   5.727   2.609  1.00  0.00      A       
ATOM    470  HE1 LYS A  30       1.679   4.988   1.089  1.00  0.00      A       
ATOM    471  HG2 LYS A  30       4.460   4.191   3.521  1.00  0.00      A       
ATOM    472  HG1 LYS A  30       4.947   5.853   3.270  1.00  0.00      A       
ATOM    473  HZ1 LYS A  30       1.776   2.883   2.065  1.00  0.00      A       
ATOM    474  HZ2 LYS A  30       1.208   3.762   3.289  1.00  0.00      A       
ATOM    475  N   LYS A  30       6.612   6.171   0.575  1.00  0.00      A       
ATOM    476  NZ  LYS A  30       2.049   3.637   2.713  1.00  0.00      A       
ATOM    477  O   LYS A  30       8.792   4.171   0.354  1.00  0.00      A       
ATOM    478  C   ALA A  31      11.551   5.616   0.130  1.00  0.00      A       
ATOM    479  CA  ALA A  31      11.138   5.036   1.522  1.00  0.00      A       
ATOM    480  CB  ALA A  31      11.201   3.498   1.601  1.00  0.00      A       
ATOM    481  HN  ALA A  31       9.559   5.611   2.923  1.00  0.00      A       
ATOM    482  HA  ALA A  31      11.887   5.439   2.235  1.00  0.00      A       
ATOM    483  HB1 ALA A  31      12.242   3.125   1.333  1.00  0.00      A       
ATOM    484  HB2 ALA A  31      11.016   3.099   2.607  1.00  0.00      A       
ATOM    485  HB3 ALA A  31      10.535   2.979   0.895  1.00  0.00      A       
ATOM    486  N   ALA A  31       9.757   5.407   1.936  1.00  0.00      A       
ATOM    487  OT1 ALA A  31      12.080   6.712  -0.052  1.00  0.00      A       
END


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