NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype
486980 1amb cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   ASP A   1      17.882   0.943   1.013  1.00  0.00      A       
ATOM      2  CA  ASP A   1      19.047   0.403   1.844  1.00  0.00      A       
ATOM      3  CB  ASP A   1      19.992   1.551   2.204  1.00  0.00      A       
ATOM      4  CG  ASP A   1      19.184   2.719   2.772  1.00  0.00      A       
ATOM      5  HT1 ASP A   1      19.183  -0.966   0.281  1.00  0.00      A       
ATOM      6  HT2 ASP A   1      20.651  -0.198   0.659  1.00  0.00      A       
ATOM      7  HT3 ASP A   1      20.047  -1.416   1.673  1.00  0.00      A       
ATOM      8  HA  ASP A   1      18.666  -0.047   2.749  1.00  0.00      A       
ATOM      9  HB2 ASP A   1      20.705   1.212   2.942  1.00  0.00      A       
ATOM     10  HB1 ASP A   1      20.517   1.876   1.319  1.00  0.00      A       
ATOM     11  N   ASP A   1      19.788  -0.621   1.055  1.00  0.00      A       
ATOM     12  O   ASP A   1      16.729   0.748   1.343  1.00  0.00      A       
ATOM     13  OD1 ASP A   1      18.837   2.661   3.940  1.00  0.00      A       
ATOM     14  OD2 ASP A   1      18.925   3.651   2.029  1.00  0.00      A       
ATOM     15  C   ALA A   2      16.209   1.027  -1.431  1.00  0.00      A       
ATOM     16  CA  ALA A   2      17.083   2.172  -0.915  1.00  0.00      A       
ATOM     17  CB  ALA A   2      17.697   2.919  -2.099  1.00  0.00      A       
ATOM     18  HN  ALA A   2      19.109   1.767  -0.314  1.00  0.00      A       
ATOM     19  HA  ALA A   2      16.480   2.853  -0.333  1.00  0.00      A       
ATOM     20  HB1 ALA A   2      18.768   2.779  -2.096  1.00  0.00      A       
ATOM     21  HB2 ALA A   2      17.286   2.535  -3.020  1.00  0.00      A       
ATOM     22  HB3 ALA A   2      17.472   3.972  -2.015  1.00  0.00      A       
ATOM     23  N   ALA A   2      18.173   1.620  -0.064  1.00  0.00      A       
ATOM     24  O   ALA A   2      15.036   0.942  -1.124  1.00  0.00      A       
ATOM     25  C   GLU A   3      15.295  -1.739  -1.597  1.00  0.00      A       
ATOM     26  CA  GLU A   3      15.970  -0.991  -2.747  1.00  0.00      A       
ATOM     27  CB  GLU A   3      16.876  -1.937  -3.506  1.00  0.00      A       
ATOM     28  CD  GLU A   3      18.572  -3.739  -3.164  1.00  0.00      A       
ATOM     29  CG  GLU A   3      17.986  -2.449  -2.587  1.00  0.00      A       
ATOM     30  HN  GLU A   3      17.717   0.232  -2.449  1.00  0.00      A       
ATOM     31  HA  GLU A   3      15.226  -0.622  -3.425  1.00  0.00      A       
ATOM     32  HB2 GLU A   3      16.289  -2.762  -3.870  1.00  0.00      A       
ATOM     33  HB1 GLU A   3      17.307  -1.410  -4.338  1.00  0.00      A       
ATOM     34  HG2 GLU A   3      18.763  -1.702  -2.510  1.00  0.00      A       
ATOM     35  HG1 GLU A   3      17.579  -2.648  -1.607  1.00  0.00      A       
ATOM     36  N   GLU A   3      16.770   0.146  -2.213  1.00  0.00      A       
ATOM     37  O   GLU A   3      14.219  -2.283  -1.745  1.00  0.00      A       
ATOM     38  OE1 GLU A   3      18.000  -4.256  -4.109  1.00  0.00      A       
ATOM     39  OE2 GLU A   3      19.584  -4.188  -2.650  1.00  0.00      A       
ATOM     40  C   PHE A   4      13.972  -1.841   1.065  1.00  0.00      A       
ATOM     41  CA  PHE A   4      15.312  -2.486   0.706  1.00  0.00      A       
ATOM     42  CB  PHE A   4      16.251  -2.409   1.902  1.00  0.00      A       
ATOM     43  CD1 PHE A   4      17.422  -4.587   1.444  1.00  0.00      A       
ATOM     44  CD2 PHE A   4      16.182  -4.337   3.512  1.00  0.00      A       
ATOM     45  CE1 PHE A   4      17.772  -5.892   1.810  1.00  0.00      A       
ATOM     46  CE2 PHE A   4      16.532  -5.642   3.881  1.00  0.00      A       
ATOM     47  CG  PHE A   4      16.629  -3.811   2.297  1.00  0.00      A       
ATOM     48  CZ  PHE A   4      17.328  -6.419   3.030  1.00  0.00      A       
ATOM     49  HN  PHE A   4      16.786  -1.327  -0.353  1.00  0.00      A       
ATOM     50  HA  PHE A   4      15.158  -3.524   0.452  1.00  0.00      A       
ATOM     51  HB2 PHE A   4      17.138  -1.854   1.632  1.00  0.00      A       
ATOM     52  HB1 PHE A   4      15.753  -1.923   2.726  1.00  0.00      A       
ATOM     53  HD1 PHE A   4      17.759  -4.179   0.500  1.00  0.00      A       
ATOM     54  HD2 PHE A   4      15.565  -3.736   4.164  1.00  0.00      A       
ATOM     55  HE1 PHE A   4      18.385  -6.491   1.154  1.00  0.00      A       
ATOM     56  HE2 PHE A   4      16.187  -6.048   4.820  1.00  0.00      A       
ATOM     57  HZ  PHE A   4      17.598  -7.426   3.313  1.00  0.00      A       
ATOM     58  N   PHE A   4      15.919  -1.772  -0.451  1.00  0.00      A       
ATOM     59  O   PHE A   4      12.924  -2.442   0.921  1.00  0.00      A       
ATOM     60  C   ARG A   5      11.904   0.335   0.638  1.00  0.00      A       
ATOM     61  CA  ARG A   5      12.720   0.057   1.897  1.00  0.00      A       
ATOM     62  CB  ARG A   5      13.021   1.373   2.619  1.00  0.00      A       
ATOM     63  CD  ARG A   5      14.336   2.479   4.366  1.00  0.00      A       
ATOM     64  CG  ARG A   5      14.099   1.155   3.668  1.00  0.00      A       
ATOM     65  CZ  ARG A   5      15.901   3.343   6.005  1.00  0.00      A       
ATOM     66  HN  ARG A   5      14.849  -0.153   1.639  1.00  0.00      A       
ATOM     67  HA  ARG A   5      12.156  -0.587   2.542  1.00  0.00      A       
ATOM     68  HB2 ARG A   5      13.365   2.109   1.911  1.00  0.00      A       
ATOM     69  HB1 ARG A   5      12.129   1.736   3.104  1.00  0.00      A       
ATOM     70  HD2 ARG A   5      14.711   3.190   3.647  1.00  0.00      A       
ATOM     71  HD1 ARG A   5      13.399   2.833   4.768  1.00  0.00      A       
ATOM     72  HE  ARG A   5      15.543   1.402   5.788  1.00  0.00      A       
ATOM     73  HG2 ARG A   5      13.770   0.417   4.383  1.00  0.00      A       
ATOM     74  HG1 ARG A   5      15.012   0.831   3.196  1.00  0.00      A       
ATOM     75 HH11 ARG A   5      14.952   4.672   4.844  1.00  0.00      A       
ATOM     76 HH12 ARG A   5      16.058   5.339   5.997  1.00  0.00      A       
ATOM     77 HH21 ARG A   5      16.987   2.263   7.294  1.00  0.00      A       
ATOM     78 HH22 ARG A   5      17.209   3.978   7.382  1.00  0.00      A       
ATOM     79  N   ARG A   5      13.995  -0.621   1.531  1.00  0.00      A       
ATOM     80  NE  ARG A   5      15.325   2.302   5.467  1.00  0.00      A       
ATOM     81  NH1 ARG A   5      15.614   4.545   5.582  1.00  0.00      A       
ATOM     82  NH2 ARG A   5      16.766   3.182   6.969  1.00  0.00      A       
ATOM     83  O   ARG A   5      10.762   0.746   0.700  1.00  0.00      A       
ATOM     84  C   HIS A   6      10.750  -0.805  -1.984  1.00  0.00      A       
ATOM     85  CA  HIS A   6      11.741   0.337  -1.773  1.00  0.00      A       
ATOM     86  CB  HIS A   6      12.726   0.381  -2.943  1.00  0.00      A       
ATOM     87  CD2 HIS A   6      10.959   0.666  -4.871  1.00  0.00      A       
ATOM     88  CE1 HIS A   6      11.736   2.493  -5.739  1.00  0.00      A       
ATOM     89  CG  HIS A   6      12.063   1.019  -4.133  1.00  0.00      A       
ATOM     90  HN  HIS A   6      13.392  -0.240  -0.520  1.00  0.00      A       
ATOM     91  HA  HIS A   6      11.206   1.274  -1.713  1.00  0.00      A       
ATOM     92  HB2 HIS A   6      13.594   0.958  -2.660  1.00  0.00      A       
ATOM     93  HB1 HIS A   6      13.029  -0.624  -3.196  1.00  0.00      A       
ATOM     94  HD1 HIS A   6      13.325   2.699  -4.411  1.00  0.00      A       
ATOM     95  HD2 HIS A   6      10.342  -0.203  -4.693  1.00  0.00      A       
ATOM     96  HE1 HIS A   6      11.867   3.357  -6.374  1.00  0.00      A       
ATOM     97  N   HIS A   6      12.479   0.101  -0.502  1.00  0.00      A       
ATOM     98  ND1 HIS A   6      12.542   2.188  -4.705  1.00  0.00      A       
ATOM     99  NE2 HIS A   6      10.755   1.598  -5.884  1.00  0.00      A       
ATOM    100  O   HIS A   6       9.554  -0.628  -1.876  1.00  0.00      A       
ATOM    101  C   ASP A   7       9.437  -3.299  -1.248  1.00  0.00      A       
ATOM    102  CA  ASP A   7      10.326  -3.136  -2.481  1.00  0.00      A       
ATOM    103  CB  ASP A   7      11.150  -4.408  -2.689  1.00  0.00      A       
ATOM    104  CG  ASP A   7      12.361  -4.095  -3.570  1.00  0.00      A       
ATOM    105  HN  ASP A   7      12.210  -2.101  -2.348  1.00  0.00      A       
ATOM    106  HA  ASP A   7       9.710  -2.958  -3.350  1.00  0.00      A       
ATOM    107  HB2 ASP A   7      11.487  -4.780  -1.732  1.00  0.00      A       
ATOM    108  HB1 ASP A   7      10.541  -5.157  -3.172  1.00  0.00      A       
ATOM    109  N   ASP A   7      11.240  -1.979  -2.274  1.00  0.00      A       
ATOM    110  O   ASP A   7       8.255  -3.559  -1.354  1.00  0.00      A       
ATOM    111  OD1 ASP A   7      12.171  -3.483  -4.608  1.00  0.00      A       
ATOM    112  OD2 ASP A   7      13.458  -4.472  -3.192  1.00  0.00      A       
ATOM    113  C   SER A   8       7.972  -2.343   1.073  1.00  0.00      A       
ATOM    114  CA  SER A   8       9.175  -3.284   1.159  1.00  0.00      A       
ATOM    115  CB  SER A   8      10.022  -2.920   2.378  1.00  0.00      A       
ATOM    116  HN  SER A   8      10.950  -2.929  -0.011  1.00  0.00      A       
ATOM    117  HA  SER A   8       8.830  -4.303   1.249  1.00  0.00      A       
ATOM    118  HB2 SER A   8      11.005  -3.349   2.278  1.00  0.00      A       
ATOM    119  HB1 SER A   8      10.107  -1.843   2.448  1.00  0.00      A       
ATOM    120  HG  SER A   8      10.029  -4.024   3.981  1.00  0.00      A       
ATOM    121  N   SER A   8       9.994  -3.143  -0.077  1.00  0.00      A       
ATOM    122  O   SER A   8       6.834  -2.772   1.051  1.00  0.00      A       
ATOM    123  OG  SER A   8       9.404  -3.436   3.550  1.00  0.00      A       
ATOM    124  C   GLY A   9       6.416  -0.223  -0.446  1.00  0.00      A       
ATOM    125  CA  GLY A   9       7.085  -0.094   0.924  1.00  0.00      A       
ATOM    126  HN  GLY A   9       9.139  -0.735   1.029  1.00  0.00      A       
ATOM    127  HA2 GLY A   9       6.364  -0.308   1.700  1.00  0.00      A       
ATOM    128  HA1 GLY A   9       7.459   0.911   1.045  1.00  0.00      A       
ATOM    129  N   GLY A   9       8.214  -1.061   1.016  1.00  0.00      A       
ATOM    130  O   GLY A   9       5.398   0.384  -0.710  1.00  0.00      A       
ATOM    131  C   TYR A  10       5.119  -2.015  -2.578  1.00  0.00      A       
ATOM    132  CA  TYR A  10       6.392  -1.176  -2.672  1.00  0.00      A       
ATOM    133  CB  TYR A  10       7.398  -1.900  -3.559  1.00  0.00      A       
ATOM    134  CD1 TYR A  10       7.347  -0.383  -5.550  1.00  0.00      A       
ATOM    135  CD2 TYR A  10       6.476  -2.633  -5.772  1.00  0.00      A       
ATOM    136  CE1 TYR A  10       7.039  -0.128  -6.890  1.00  0.00      A       
ATOM    137  CE2 TYR A  10       6.168  -2.383  -7.114  1.00  0.00      A       
ATOM    138  CG  TYR A  10       7.065  -1.633  -4.996  1.00  0.00      A       
ATOM    139  CZ  TYR A  10       6.449  -1.129  -7.674  1.00  0.00      A       
ATOM    140  HN  TYR A  10       7.804  -1.483  -1.097  1.00  0.00      A       
ATOM    141  HA  TYR A  10       6.165  -0.211  -3.096  1.00  0.00      A       
ATOM    142  HB2 TYR A  10       8.393  -1.541  -3.347  1.00  0.00      A       
ATOM    143  HB1 TYR A  10       7.349  -2.962  -3.370  1.00  0.00      A       
ATOM    144  HD1 TYR A  10       7.799   0.386  -4.938  1.00  0.00      A       
ATOM    145  HD2 TYR A  10       6.259  -3.599  -5.333  1.00  0.00      A       
ATOM    146  HE1 TYR A  10       7.257   0.839  -7.320  1.00  0.00      A       
ATOM    147  HE2 TYR A  10       5.713  -3.154  -7.717  1.00  0.00      A       
ATOM    148  HH  TYR A  10       5.780  -1.684  -9.374  1.00  0.00      A       
ATOM    149  N   TYR A  10       6.984  -1.006  -1.323  1.00  0.00      A       
ATOM    150  O   TYR A  10       4.038  -1.574  -2.930  1.00  0.00      A       
ATOM    151  OH  TYR A  10       6.146  -0.880  -8.997  1.00  0.00      A       
ATOM    152  C   GLU A  11       3.185  -3.538  -0.846  1.00  0.00      A       
ATOM    153  CA  GLU A  11       4.033  -4.077  -1.985  1.00  0.00      A       
ATOM    154  CB  GLU A  11       4.449  -5.519  -1.686  1.00  0.00      A       
ATOM    155  CD  GLU A  11       4.775  -7.794  -2.668  1.00  0.00      A       
ATOM    156  CG  GLU A  11       4.374  -6.348  -2.970  1.00  0.00      A       
ATOM    157  HN  GLU A  11       6.105  -3.556  -1.807  1.00  0.00      A       
ATOM    158  HA  GLU A  11       3.477  -4.038  -2.910  1.00  0.00      A       
ATOM    159  HB2 GLU A  11       5.460  -5.531  -1.307  1.00  0.00      A       
ATOM    160  HB1 GLU A  11       3.782  -5.941  -0.949  1.00  0.00      A       
ATOM    161  HG2 GLU A  11       3.365  -6.326  -3.355  1.00  0.00      A       
ATOM    162  HG1 GLU A  11       5.049  -5.936  -3.705  1.00  0.00      A       
ATOM    163  N   GLU A  11       5.234  -3.221  -2.100  1.00  0.00      A       
ATOM    164  O   GLU A  11       1.978  -3.467  -0.924  1.00  0.00      A       
ATOM    165  OE1 GLU A  11       5.963  -8.069  -2.658  1.00  0.00      A       
ATOM    166  OE2 GLU A  11       3.886  -8.601  -2.452  1.00  0.00      A       
ATOM    167  C   VAL A  12       2.280  -1.364   0.840  1.00  0.00      A       
ATOM    168  CA  VAL A  12       3.045  -2.566   1.344  1.00  0.00      A       
ATOM    169  CB  VAL A  12       4.002  -2.189   2.446  1.00  0.00      A       
ATOM    170  CG1 VAL A  12       3.355  -1.179   3.401  1.00  0.00      A       
ATOM    171  CG2 VAL A  12       4.310  -3.472   3.177  1.00  0.00      A       
ATOM    172  HN  VAL A  12       4.800  -3.170   0.245  1.00  0.00      A       
ATOM    173  HA  VAL A  12       2.355  -3.310   1.715  1.00  0.00      A       
ATOM    174  HB  VAL A  12       4.908  -1.780   2.025  1.00  0.00      A       
ATOM    175 HG11 VAL A  12       2.288  -1.161   3.236  1.00  0.00      A       
ATOM    176 HG12 VAL A  12       3.557  -1.469   4.421  1.00  0.00      A       
ATOM    177 HG13 VAL A  12       3.765  -0.197   3.217  1.00  0.00      A       
ATOM    178 HG21 VAL A  12       4.741  -4.176   2.478  1.00  0.00      A       
ATOM    179 HG22 VAL A  12       4.997  -3.277   3.975  1.00  0.00      A       
ATOM    180 HG23 VAL A  12       3.389  -3.879   3.571  1.00  0.00      A       
ATOM    181  N   VAL A  12       3.816  -3.127   0.210  1.00  0.00      A       
ATOM    182  O   VAL A  12       1.152  -1.120   1.217  1.00  0.00      A       
ATOM    183  C   HIS A  13       0.852  -0.040  -1.191  1.00  0.00      A       
ATOM    184  CA  HIS A  13       2.153   0.516  -0.641  1.00  0.00      A       
ATOM    185  CB  HIS A  13       2.960   1.108  -1.792  1.00  0.00      A       
ATOM    186  CD2 HIS A  13       0.946   1.966  -3.242  1.00  0.00      A       
ATOM    187  CE1 HIS A  13       1.467   4.067  -3.301  1.00  0.00      A       
ATOM    188  CG  HIS A  13       2.110   2.106  -2.528  1.00  0.00      A       
ATOM    189  HN  HIS A  13       3.769  -0.883  -0.362  1.00  0.00      A       
ATOM    190  HA  HIS A  13       1.957   1.264   0.113  1.00  0.00      A       
ATOM    191  HB2 HIS A  13       3.839   1.593  -1.405  1.00  0.00      A       
ATOM    192  HB1 HIS A  13       3.249   0.316  -2.469  1.00  0.00      A       
ATOM    193  HD1 HIS A  13       3.202   3.885  -2.165  1.00  0.00      A       
ATOM    194  HD2 HIS A  13       0.421   1.034  -3.399  1.00  0.00      A       
ATOM    195  HE1 HIS A  13       1.448   5.127  -3.508  1.00  0.00      A       
ATOM    196  N   HIS A  13       2.872  -0.639  -0.054  1.00  0.00      A       
ATOM    197  ND1 HIS A  13       2.425   3.455  -2.579  1.00  0.00      A       
ATOM    198  NE2 HIS A  13       0.542   3.205  -3.729  1.00  0.00      A       
ATOM    199  O   HIS A  13      -0.230   0.364  -0.817  1.00  0.00      A       
ATOM    200  C   HIS A  14      -1.175  -2.036  -1.489  1.00  0.00      A       
ATOM    201  CA  HIS A  14      -0.247  -1.638  -2.641  1.00  0.00      A       
ATOM    202  CB  HIS A  14       0.165  -2.875  -3.473  1.00  0.00      A       
ATOM    203  CD2 HIS A  14      -1.253  -4.731  -2.246  1.00  0.00      A       
ATOM    204  CE1 HIS A  14       0.377  -6.047  -1.690  1.00  0.00      A       
ATOM    205  CG  HIS A  14      -0.098  -4.162  -2.725  1.00  0.00      A       
ATOM    206  HN  HIS A  14       1.865  -1.312  -2.329  1.00  0.00      A       
ATOM    207  HA  HIS A  14      -0.756  -0.927  -3.276  1.00  0.00      A       
ATOM    208  HB2 HIS A  14      -0.389  -2.884  -4.399  1.00  0.00      A       
ATOM    209  HB1 HIS A  14       1.220  -2.810  -3.692  1.00  0.00      A       
ATOM    210  HD1 HIS A  14       1.876  -4.906  -2.562  1.00  0.00      A       
ATOM    211  HD2 HIS A  14      -2.245  -4.318  -2.359  1.00  0.00      A       
ATOM    212  HE1 HIS A  14       0.947  -6.853  -1.248  1.00  0.00      A       
ATOM    213  N   HIS A  14       0.969  -1.001  -2.065  1.00  0.00      A       
ATOM    214  ND1 HIS A  14       0.925  -5.023  -2.362  1.00  0.00      A       
ATOM    215  NE2 HIS A  14      -0.950  -5.923  -1.592  1.00  0.00      A       
ATOM    216  O   HIS A  14      -2.378  -2.069  -1.632  1.00  0.00      A       
ATOM    217  C   GLN A  15      -2.331  -1.569   1.238  1.00  0.00      A       
ATOM    218  CA  GLN A  15      -1.456  -2.743   0.810  1.00  0.00      A       
ATOM    219  CB  GLN A  15      -0.551  -3.140   1.974  1.00  0.00      A       
ATOM    220  CD  GLN A  15      -0.216  -5.603   2.062  1.00  0.00      A       
ATOM    221  CG  GLN A  15      -1.057  -4.441   2.584  1.00  0.00      A       
ATOM    222  HN  GLN A  15       0.363  -2.321  -0.258  1.00  0.00      A       
ATOM    223  HA  GLN A  15      -2.081  -3.578   0.536  1.00  0.00      A       
ATOM    224  HB2 GLN A  15       0.459  -3.276   1.615  1.00  0.00      A       
ATOM    225  HB1 GLN A  15      -0.566  -2.363   2.724  1.00  0.00      A       
ATOM    226 HE21 GLN A  15       0.276  -4.665   0.382  1.00  0.00      A       
ATOM    227 HE22 GLN A  15       0.925  -6.226   0.564  1.00  0.00      A       
ATOM    228  HG2 GLN A  15      -0.976  -4.390   3.658  1.00  0.00      A       
ATOM    229  HG1 GLN A  15      -2.089  -4.588   2.303  1.00  0.00      A       
ATOM    230  N   GLN A  15      -0.615  -2.345  -0.350  1.00  0.00      A       
ATOM    231  NE2 GLN A  15       0.376  -5.490   0.907  1.00  0.00      A       
ATOM    232  O   GLN A  15      -3.518  -1.708   1.441  1.00  0.00      A       
ATOM    233  OE1 GLN A  15      -0.096  -6.624   2.711  1.00  0.00      A       
ATOM    234  C   LYS A  16      -3.563   1.133   0.743  1.00  0.00      A       
ATOM    235  CA  LYS A  16      -2.530   0.774   1.814  1.00  0.00      A       
ATOM    236  CB  LYS A  16      -1.583   1.957   2.018  1.00  0.00      A       
ATOM    237  CD  LYS A  16      -2.821   4.027   1.375  1.00  0.00      A       
ATOM    238  CE  LYS A  16      -1.611   4.422   0.527  1.00  0.00      A       
ATOM    239  CG  LYS A  16      -2.374   3.160   2.539  1.00  0.00      A       
ATOM    240  HN  LYS A  16      -0.782  -0.342   1.228  1.00  0.00      A       
ATOM    241  HA  LYS A  16      -3.038   0.556   2.743  1.00  0.00      A       
ATOM    242  HB2 LYS A  16      -0.821   1.687   2.734  1.00  0.00      A       
ATOM    243  HB1 LYS A  16      -1.120   2.212   1.078  1.00  0.00      A       
ATOM    244  HD2 LYS A  16      -3.523   3.474   0.774  1.00  0.00      A       
ATOM    245  HD1 LYS A  16      -3.294   4.915   1.762  1.00  0.00      A       
ATOM    246  HE2 LYS A  16      -0.709   4.308   1.110  1.00  0.00      A       
ATOM    247  HE1 LYS A  16      -1.559   3.786  -0.345  1.00  0.00      A       
ATOM    248  HG2 LYS A  16      -3.245   2.815   3.073  1.00  0.00      A       
ATOM    249  HG1 LYS A  16      -1.753   3.745   3.196  1.00  0.00      A       
ATOM    250  HZ1 LYS A  16      -2.376   6.345   0.758  1.00  0.00      A       
ATOM    251  HZ2 LYS A  16      -0.812   6.296   0.095  1.00  0.00      A       
ATOM    252  HZ3 LYS A  16      -2.150   5.879  -0.860  1.00  0.00      A       
ATOM    253  N   LYS A  16      -1.745  -0.419   1.388  1.00  0.00      A       
ATOM    254  NZ  LYS A  16      -1.747   5.843   0.098  1.00  0.00      A       
ATOM    255  O   LYS A  16      -4.710   1.396   1.041  1.00  0.00      A       
ATOM    256  C   LEU A  17      -5.226   0.454  -1.661  1.00  0.00      A       
ATOM    257  CA  LEU A  17      -4.120   1.509  -1.579  1.00  0.00      A       
ATOM    258  CB  LEU A  17      -3.354   1.558  -2.896  1.00  0.00      A       
ATOM    259  CD1 LEU A  17      -5.181   3.097  -3.629  1.00  0.00      A       
ATOM    260  CD2 LEU A  17      -2.979   4.024  -2.900  1.00  0.00      A       
ATOM    261  CG  LEU A  17      -3.669   2.866  -3.623  1.00  0.00      A       
ATOM    262  HN  LEU A  17      -2.237   0.949  -0.729  1.00  0.00      A       
ATOM    263  HA  LEU A  17      -4.555   2.476  -1.378  1.00  0.00      A       
ATOM    264  HB2 LEU A  17      -2.292   1.506  -2.689  1.00  0.00      A       
ATOM    265  HB1 LEU A  17      -3.642   0.722  -3.511  1.00  0.00      A       
ATOM    266 HD11 LEU A  17      -5.690   2.145  -3.655  1.00  0.00      A       
ATOM    267 HD12 LEU A  17      -5.466   3.633  -2.736  1.00  0.00      A       
ATOM    268 HD13 LEU A  17      -5.454   3.675  -4.499  1.00  0.00      A       
ATOM    269 HD21 LEU A  17      -2.000   3.710  -2.569  1.00  0.00      A       
ATOM    270 HD22 LEU A  17      -2.879   4.862  -3.573  1.00  0.00      A       
ATOM    271 HD23 LEU A  17      -3.570   4.318  -2.045  1.00  0.00      A       
ATOM    272  HG  LEU A  17      -3.309   2.808  -4.641  1.00  0.00      A       
ATOM    273  N   LEU A  17      -3.166   1.157  -0.500  1.00  0.00      A       
ATOM    274  O   LEU A  17      -6.351   0.745  -2.021  1.00  0.00      A       
ATOM    275  C   VAL A  18      -6.847  -1.712  -0.143  1.00  0.00      A       
ATOM    276  CA  VAL A  18      -5.952  -1.836  -1.376  1.00  0.00      A       
ATOM    277  CB  VAL A  18      -5.254  -3.198  -1.383  1.00  0.00      A       
ATOM    278  CG1 VAL A  18      -6.247  -4.298  -1.000  1.00  0.00      A       
ATOM    279  CG2 VAL A  18      -4.702  -3.477  -2.783  1.00  0.00      A       
ATOM    280  HN  VAL A  18      -4.012  -0.984  -1.028  1.00  0.00      A       
ATOM    281  HA  VAL A  18      -6.546  -1.726  -2.271  1.00  0.00      A       
ATOM    282  HB  VAL A  18      -4.439  -3.181  -0.673  1.00  0.00      A       
ATOM    283 HG11 VAL A  18      -7.091  -4.271  -1.673  1.00  0.00      A       
ATOM    284 HG12 VAL A  18      -5.762  -5.260  -1.068  1.00  0.00      A       
ATOM    285 HG13 VAL A  18      -6.588  -4.138   0.012  1.00  0.00      A       
ATOM    286 HG21 VAL A  18      -4.017  -2.691  -3.064  1.00  0.00      A       
ATOM    287 HG22 VAL A  18      -4.183  -4.424  -2.783  1.00  0.00      A       
ATOM    288 HG23 VAL A  18      -5.518  -3.514  -3.490  1.00  0.00      A       
ATOM    289  N   VAL A  18      -4.920  -0.768  -1.324  1.00  0.00      A       
ATOM    290  O   VAL A  18      -8.014  -2.045  -0.170  1.00  0.00      A       
ATOM    291  C   PHE A  19      -8.073   0.104   1.985  1.00  0.00      A       
ATOM    292  CA  PHE A  19      -7.106  -1.060   2.173  1.00  0.00      A       
ATOM    293  CB  PHE A  19      -6.171  -0.756   3.343  1.00  0.00      A       
ATOM    294  CD1 PHE A  19      -7.504  -1.344   5.393  1.00  0.00      A       
ATOM    295  CD2 PHE A  19      -5.765  -2.863   4.654  1.00  0.00      A       
ATOM    296  CE1 PHE A  19      -7.799  -2.200   6.461  1.00  0.00      A       
ATOM    297  CE2 PHE A  19      -6.059  -3.721   5.721  1.00  0.00      A       
ATOM    298  CG  PHE A  19      -6.488  -1.677   4.492  1.00  0.00      A       
ATOM    299  CZ  PHE A  19      -7.077  -3.389   6.625  1.00  0.00      A       
ATOM    300  HN  PHE A  19      -5.363  -0.952   0.925  1.00  0.00      A       
ATOM    301  HA  PHE A  19      -7.659  -1.966   2.373  1.00  0.00      A       
ATOM    302  HB2 PHE A  19      -5.147  -0.905   3.033  1.00  0.00      A       
ATOM    303  HB1 PHE A  19      -6.307   0.269   3.656  1.00  0.00      A       
ATOM    304  HD1 PHE A  19      -8.060  -0.426   5.264  1.00  0.00      A       
ATOM    305  HD2 PHE A  19      -4.981  -3.117   3.954  1.00  0.00      A       
ATOM    306  HE1 PHE A  19      -8.584  -1.944   7.157  1.00  0.00      A       
ATOM    307  HE2 PHE A  19      -5.502  -4.637   5.847  1.00  0.00      A       
ATOM    308  HZ  PHE A  19      -7.304  -4.050   7.448  1.00  0.00      A       
ATOM    309  N   PHE A  19      -6.303  -1.222   0.934  1.00  0.00      A       
ATOM    310  O   PHE A  19      -9.173   0.107   2.501  1.00  0.00      A       
ATOM    311  C   PHE A  20      -9.646   1.878   0.024  1.00  0.00      A       
ATOM    312  CA  PHE A  20      -8.549   2.265   1.014  1.00  0.00      A       
ATOM    313  CB  PHE A  20      -7.715   3.421   0.447  1.00  0.00      A       
ATOM    314  CD1 PHE A  20      -9.250   4.273  -1.368  1.00  0.00      A       
ATOM    315  CD2 PHE A  20      -8.825   5.684   0.558  1.00  0.00      A       
ATOM    316  CE1 PHE A  20     -10.084   5.260  -1.907  1.00  0.00      A       
ATOM    317  CE2 PHE A  20      -9.658   6.671   0.018  1.00  0.00      A       
ATOM    318  CG  PHE A  20      -8.621   4.484  -0.134  1.00  0.00      A       
ATOM    319  CZ  PHE A  20     -10.288   6.459  -1.214  1.00  0.00      A       
ATOM    320  HN  PHE A  20      -6.773   1.069   0.841  1.00  0.00      A       
ATOM    321  HA  PHE A  20      -8.998   2.565   1.952  1.00  0.00      A       
ATOM    322  HB2 PHE A  20      -7.119   3.854   1.238  1.00  0.00      A       
ATOM    323  HB1 PHE A  20      -7.063   3.045  -0.327  1.00  0.00      A       
ATOM    324  HD1 PHE A  20      -9.093   3.348  -1.904  1.00  0.00      A       
ATOM    325  HD2 PHE A  20      -8.341   5.847   1.509  1.00  0.00      A       
ATOM    326  HE1 PHE A  20     -10.569   5.097  -2.858  1.00  0.00      A       
ATOM    327  HE2 PHE A  20      -9.815   7.596   0.553  1.00  0.00      A       
ATOM    328  HZ  PHE A  20     -10.930   7.221  -1.630  1.00  0.00      A       
ATOM    329  N   PHE A  20      -7.665   1.095   1.245  1.00  0.00      A       
ATOM    330  O   PHE A  20     -10.787   2.240   0.184  1.00  0.00      A       
ATOM    331  C   ALA A  21     -11.292  -0.288  -1.353  1.00  0.00      A       
ATOM    332  CA  ALA A  21     -10.361   0.753  -1.983  1.00  0.00      A       
ATOM    333  CB  ALA A  21      -9.689   0.156  -3.218  1.00  0.00      A       
ATOM    334  HN  ALA A  21      -8.388   0.857  -1.127  1.00  0.00      A       
ATOM    335  HA  ALA A  21     -10.935   1.626  -2.267  1.00  0.00      A       
ATOM    336  HB1 ALA A  21      -8.622   0.319  -3.160  1.00  0.00      A       
ATOM    337  HB2 ALA A  21      -9.889  -0.904  -3.259  1.00  0.00      A       
ATOM    338  HB3 ALA A  21     -10.078   0.632  -4.105  1.00  0.00      A       
ATOM    339  N   ALA A  21      -9.317   1.146  -1.001  1.00  0.00      A       
ATOM    340  O   ALA A  21     -12.435  -0.421  -1.734  1.00  0.00      A       
ATOM    341  C   GLU A  22     -12.649  -1.339   1.200  1.00  0.00      A       
ATOM    342  CA  GLU A  22     -11.680  -2.046   0.262  1.00  0.00      A       
ATOM    343  CB  GLU A  22     -10.816  -3.028   1.054  1.00  0.00      A       
ATOM    344  CD  GLU A  22     -10.467  -5.411   0.409  1.00  0.00      A       
ATOM    345  CG  GLU A  22     -10.098  -3.961   0.091  1.00  0.00      A       
ATOM    346  HN  GLU A  22      -9.900  -0.903  -0.087  1.00  0.00      A       
ATOM    347  HA  GLU A  22     -12.235  -2.576  -0.495  1.00  0.00      A       
ATOM    348  HB2 GLU A  22     -10.088  -2.483   1.631  1.00  0.00      A       
ATOM    349  HB1 GLU A  22     -11.440  -3.608   1.710  1.00  0.00      A       
ATOM    350  HG2 GLU A  22     -10.400  -3.723  -0.910  1.00  0.00      A       
ATOM    351  HG1 GLU A  22      -9.032  -3.831   0.188  1.00  0.00      A       
ATOM    352  N   GLU A  22     -10.816  -1.025  -0.387  1.00  0.00      A       
ATOM    353  O   GLU A  22     -13.823  -1.635   1.229  1.00  0.00      A       
ATOM    354  OE1 GLU A  22      -9.808  -5.998   1.252  1.00  0.00      A       
ATOM    355  OE2 GLU A  22     -11.402  -5.911  -0.195  1.00  0.00      A       
ATOM    356  C   ASP A  23     -13.788   1.418   2.034  1.00  0.00      A       
ATOM    357  CA  ASP A  23     -13.075   0.359   2.862  1.00  0.00      A       
ATOM    358  CB  ASP A  23     -12.254   1.042   3.950  1.00  0.00      A       
ATOM    359  CG  ASP A  23     -12.579   0.420   5.309  1.00  0.00      A       
ATOM    360  HN  ASP A  23     -11.221  -0.153   1.899  1.00  0.00      A       
ATOM    361  HA  ASP A  23     -13.789  -0.311   3.307  1.00  0.00      A       
ATOM    362  HB2 ASP A  23     -11.211   0.912   3.732  1.00  0.00      A       
ATOM    363  HB1 ASP A  23     -12.486   2.096   3.971  1.00  0.00      A       
ATOM    364  N   ASP A  23     -12.171  -0.389   1.951  1.00  0.00      A       
ATOM    365  O   ASP A  23     -14.985   1.376   1.831  1.00  0.00      A       
ATOM    366  OD1 ASP A  23     -13.674  -0.098   5.454  1.00  0.00      A       
ATOM    367  OD2 ASP A  23     -11.728   0.473   6.181  1.00  0.00      A       
ATOM    368  C   VAL A  24     -14.442   2.822  -0.426  1.00  0.00      A       
ATOM    369  CA  VAL A  24     -13.632   3.437   0.708  1.00  0.00      A       
ATOM    370  CB  VAL A  24     -12.510   4.290   0.118  1.00  0.00      A       
ATOM    371  CG1 VAL A  24     -13.099   5.520  -0.564  1.00  0.00      A       
ATOM    372  CG2 VAL A  24     -11.566   4.724   1.239  1.00  0.00      A       
ATOM    373  HN  VAL A  24     -12.078   2.361   1.726  1.00  0.00      A       
ATOM    374  HA  VAL A  24     -14.266   4.045   1.313  1.00  0.00      A       
ATOM    375  HB  VAL A  24     -11.966   3.711  -0.611  1.00  0.00      A       
ATOM    376 HG11 VAL A  24     -14.157   5.372  -0.721  1.00  0.00      A       
ATOM    377 HG12 VAL A  24     -12.944   6.386   0.060  1.00  0.00      A       
ATOM    378 HG13 VAL A  24     -12.611   5.669  -1.516  1.00  0.00      A       
ATOM    379 HG21 VAL A  24     -11.974   4.417   2.191  1.00  0.00      A       
ATOM    380 HG22 VAL A  24     -10.601   4.262   1.096  1.00  0.00      A       
ATOM    381 HG23 VAL A  24     -11.459   5.798   1.224  1.00  0.00      A       
ATOM    382  N   VAL A  24     -13.040   2.363   1.544  1.00  0.00      A       
ATOM    383  O   VAL A  24     -15.552   3.230  -0.707  1.00  0.00      A       
ATOM    384  C   GLY A  25     -15.805   0.414  -1.633  1.00  0.00      A       
ATOM    385  CA  GLY A  25     -14.625   1.194  -2.199  1.00  0.00      A       
ATOM    386  HN  GLY A  25     -13.003   1.531  -0.830  1.00  0.00      A       
ATOM    387  HA2 GLY A  25     -14.983   1.952  -2.882  1.00  0.00      A       
ATOM    388  HA1 GLY A  25     -13.966   0.521  -2.719  1.00  0.00      A       
ATOM    389  N   GLY A  25     -13.894   1.842  -1.079  1.00  0.00      A       
ATOM    390  O   GLY A  25     -16.905   0.478  -2.144  1.00  0.00      A       
ATOM    391  C   SER A  26     -17.957  -0.200   0.093  1.00  0.00      A       
ATOM    392  CA  SER A  26     -16.718  -1.095   0.020  1.00  0.00      A       
ATOM    393  CB  SER A  26     -16.348  -1.555   1.430  1.00  0.00      A       
ATOM    394  HN  SER A  26     -14.689  -0.359  -0.174  1.00  0.00      A       
ATOM    395  HA  SER A  26     -16.929  -1.954  -0.597  1.00  0.00      A       
ATOM    396  HB2 SER A  26     -15.781  -2.470   1.376  1.00  0.00      A       
ATOM    397  HB1 SER A  26     -15.750  -0.792   1.911  1.00  0.00      A       
ATOM    398  HG  SER A  26     -18.040  -2.468   1.729  1.00  0.00      A       
ATOM    399  N   SER A  26     -15.590  -0.320  -0.575  1.00  0.00      A       
ATOM    400  O   SER A  26     -19.029  -0.568  -0.345  1.00  0.00      A       
ATOM    401  OG  SER A  26     -17.536  -1.784   2.176  1.00  0.00      A       
ATOM    402  C   ASN A  27     -18.800   3.059  -0.230  1.00  0.00      A       
ATOM    403  CA  ASN A  27     -18.981   1.898   0.751  1.00  0.00      A       
ATOM    404  CB  ASN A  27     -19.064   2.449   2.176  1.00  0.00      A       
ATOM    405  CG  ASN A  27     -17.895   3.384   2.431  1.00  0.00      A       
ATOM    406  HN  ASN A  27     -16.942   1.249   0.994  1.00  0.00      A       
ATOM    407  HA  ASN A  27     -19.889   1.364   0.517  1.00  0.00      A       
ATOM    408  HB2 ASN A  27     -19.986   2.995   2.302  1.00  0.00      A       
ATOM    409  HB1 ASN A  27     -19.025   1.636   2.884  1.00  0.00      A       
ATOM    410 HD21 ASN A  27     -18.504   3.836   4.260  1.00  0.00      A       
ATOM    411 HD22 ASN A  27     -17.077   4.587   3.758  1.00  0.00      A       
ATOM    412  N   ASN A  27     -17.816   0.974   0.646  1.00  0.00      A       
ATOM    413  ND2 ASN A  27     -17.817   3.987   3.578  1.00  0.00      A       
ATOM    414  O   ASN A  27     -18.899   4.214   0.136  1.00  0.00      A       
ATOM    415  OD1 ASN A  27     -17.045   3.568   1.583  1.00  0.00      A       
ATOM    416  C   LYS A  28     -19.548   3.892  -3.417  1.00  0.00      A       
ATOM    417  CA  LYS A  28     -18.345   3.852  -2.473  1.00  0.00      A       
ATOM    418  CB  LYS A  28     -17.071   3.587  -3.280  1.00  0.00      A       
ATOM    419  CD  LYS A  28     -15.677   5.527  -4.015  1.00  0.00      A       
ATOM    420  CE  LYS A  28     -14.172   5.532  -4.289  1.00  0.00      A       
ATOM    421  CG  LYS A  28     -15.982   4.576  -2.856  1.00  0.00      A       
ATOM    422  HN  LYS A  28     -18.456   1.827  -1.747  1.00  0.00      A       
ATOM    423  HA  LYS A  28     -18.256   4.799  -1.962  1.00  0.00      A       
ATOM    424  HB2 LYS A  28     -16.733   2.578  -3.097  1.00  0.00      A       
ATOM    425  HB1 LYS A  28     -17.279   3.713  -4.332  1.00  0.00      A       
ATOM    426  HD2 LYS A  28     -16.204   5.198  -4.898  1.00  0.00      A       
ATOM    427  HD1 LYS A  28     -15.997   6.525  -3.755  1.00  0.00      A       
ATOM    428  HE2 LYS A  28     -13.672   6.135  -3.546  1.00  0.00      A       
ATOM    429  HE1 LYS A  28     -13.795   4.521  -4.246  1.00  0.00      A       
ATOM    430  HG2 LYS A  28     -16.324   5.144  -2.003  1.00  0.00      A       
ATOM    431  HG1 LYS A  28     -15.085   4.034  -2.592  1.00  0.00      A       
ATOM    432  HZ1 LYS A  28     -14.754   6.630  -5.960  1.00  0.00      A       
ATOM    433  HZ2 LYS A  28     -13.097   6.739  -5.602  1.00  0.00      A       
ATOM    434  HZ3 LYS A  28     -13.719   5.329  -6.312  1.00  0.00      A       
ATOM    435  N   LYS A  28     -18.534   2.764  -1.472  1.00  0.00      A       
ATOM    436  NZ  LYS A  28     -13.916   6.100  -5.643  1.00  0.00      A       
ATOM    437  OT1 LYS A  28     -19.636   3.025  -4.270  1.00  0.00      A       
ATOM    438  OT2 LYS A  28     -20.361   4.790  -3.271  1.00  0.00      A       
END


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