NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type
621543 5woc 30319 cing 1-original 3 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           HN       SER   1   8.517   2.503   5.644
    2    HA   SER   1           HA       SER   1   8.445   0.913   8.139
    3    HB2  SER   1           HB2      SER   1   6.025   1.448   8.345
    4    HB3  SER   1           HB1      SER   1   7.055   2.861   8.561
    5    HG   SER   1           HG       SER   1   6.695   3.051   6.143
    6    HA   PRO   2           HA       PRO   2   7.742  -1.552   4.207
    7    HB2  PRO   2           HB2      PRO   2   9.126  -3.506   6.028
    8    HB3  PRO   2           HB1      PRO   2   9.375  -3.212   4.292
    9    HG2  PRO   2           HG2      PRO   2  11.121  -2.304   6.051
   10    HG3  PRO   2           HG1      PRO   2  10.641  -1.297   4.668
   11    HD2  PRO   2           HD2      PRO   2   9.771  -1.094   7.542
   12    HD3  PRO   2           HD1      PRO   2  10.144   0.204   6.383
   13    H    GLU   3           HN       GLU   3   7.367  -2.415   7.629
   14    HA   GLU   3           HA       GLU   3   5.480  -4.507   7.293
   15    HB2  GLU   3           HB2      GLU   3   6.058  -2.631   9.593
   16    HB3  GLU   3           HB1      GLU   3   4.937  -3.994   9.700
   17    HG2  GLU   3           HG2      GLU   3   6.671  -5.572   9.220
   18    HG3  GLU   3           HG1      GLU   3   7.801  -4.289   8.778
   19    H    GLU   4           HN       GLU   4   5.126  -0.999   7.752
   20    HA   GLU   4           HA       GLU   4   2.293  -1.047   7.975
   21    HB2  GLU   4           HB2      GLU   4   3.732   0.870   8.666
   22    HB3  GLU   4           HB1      GLU   4   4.068   1.186   6.964
   23    HG2  GLU   4           HG2      GLU   4   2.270   2.643   7.625
   24    HG3  GLU   4           HG1      GLU   4   1.578   1.391   6.602
   25    H    ARG   5           HN       ARG   5   4.552  -0.708   5.280
   26    HA   ARG   5           HA       ARG   5   2.690  -0.208   3.232
   27    HB2  ARG   5           HB2      ARG   5   4.954   0.206   2.745
   28    HB3  ARG   5           HB1      ARG   5   5.468  -1.382   3.307
   29    HG2  ARG   5           HG2      ARG   5   3.512  -1.393   1.035
   30    HG3  ARG   5           HG1      ARG   5   5.105  -0.753   0.665
   31    HD2  ARG   5           HD2      ARG   5   6.170  -2.802   1.503
   32    HD3  ARG   5           HD1      ARG   5   4.611  -3.457   1.963
   33    HE   ARG   5           HE       ARG   5   4.514  -2.810  -0.780
   34   HH11  ARG   5          HH11      ARG   5   4.757  -4.489  -2.308
   35   HH12  ARG   5          HH12      ARG   5   5.518  -5.972  -1.838
   36   HH21  ARG   5          HH21      ARG   5   6.065  -4.964   1.436
   37   HH22  ARG   5          HH22      ARG   5   6.258  -6.241   0.283
   38    H    ALA   6           HN       ALA   6   4.019  -3.254   4.509
   39    HA   ALA   6           HA       ALA   6   2.811  -4.970   2.651
   40    HB1  ALA   6           HB1      ALA   6   4.526  -5.801   4.119
   41    HB2  ALA   6           HB2      ALA   6   3.048  -6.698   4.465
   42    HB3  ALA   6           HB3      ALA   6   3.569  -5.404   5.545
   43    H    GLN   7           HN       GLN   7   1.625  -3.760   5.784
   44    HA   GLN   7           HA       GLN   7  -0.828  -5.212   5.751
   45    HB2  GLN   7           HB2      GLN   7   0.099  -4.129   7.773
   46    HB3  GLN   7           HB1      GLN   7  -0.183  -2.547   7.047
   47    HG2  GLN   7           HG2      GLN   7  -2.582  -2.954   6.973
   48    HG3  GLN   7           HG1      GLN   7  -2.350  -4.602   7.562
   49   HE21  GLN   7          HE21      GLN   7  -3.992  -2.795   9.011
   50   HE22  GLN   7          HE22      GLN   7  -3.215  -2.405  10.476
   51    H    LEU   8           HN       LEU   8   0.044  -1.949   4.618
   52    HA   LEU   8           HA       LEU   8  -2.559  -1.223   3.785
   53    HB2  LEU   8           HB2      LEU   8   0.152  -0.237   2.939
   54    HB3  LEU   8           HB1      LEU   8  -1.361   0.472   2.379
   55    HG   LEU   8           HG       LEU   8  -0.634   0.149   5.305
   56   HD11  LEU   8          HD11      LEU   8  -0.312   2.670   5.137
   57   HD12  LEU   8          HD12      LEU   8  -0.294   2.453   3.388
   58   HD13  LEU   8          HD13      LEU   8   0.937   1.680   4.384
   59   HD21  LEU   8          HD21      LEU   8  -2.454   2.124   5.281
   60   HD22  LEU   8          HD22      LEU   8  -2.941   0.436   5.330
   61   HD23  LEU   8          HD23      LEU   8  -2.969   1.314   3.802
   62    H    CYS   9           HN       CYS   9   0.115  -2.845   2.149
   63    HA   CYS   9           HA       CYS   9  -0.937  -2.851  -0.453
   64    HB2  CYS   9           HB2      CYS   9   1.095  -4.414   1.039
   65    HB3  CYS   9           HB1      CYS   9   0.431  -5.219  -0.382
   66    H    THR  10           HN       THR  10  -1.478  -5.030   2.279
   67    HA   THR  10           HA       THR  10  -3.036  -6.958   0.908
   68    HB   THR  10           HB       THR  10  -3.150  -6.034   3.768
   69    HG1  THR  10           HG1      THR  10  -1.345  -7.054   3.894
   70   HG21  THR  10          HG21      THR  10  -4.003  -8.430   4.079
   71   HG22  THR  10          HG22      THR  10  -4.325  -8.407   2.344
   72   HG23  THR  10          HG23      THR  10  -5.135  -7.257   3.408
   73    H    ALA  11           HN       ALA  11  -3.941  -3.993   2.668
   74    HA   ALA  11           HA       ALA  11  -6.728  -4.267   2.277
   75    HB1  ALA  11           HB1      ALA  11  -5.978  -2.681   3.898
   76    HB2  ALA  11           HB2      ALA  11  -6.728  -1.747   2.604
   77    HB3  ALA  11           HB3      ALA  11  -4.971  -1.848   2.713
   78    H    ALA  12           HN       ALA  12  -4.218  -2.587   0.385
   79    HA   ALA  12           HA       ALA  12  -5.985  -1.603  -1.610
   80    HB1  ALA  12           HB1      ALA  12  -4.091  -0.778  -2.639
   81    HB2  ALA  12           HB2      ALA  12  -3.149  -2.236  -2.320
   82    HB3  ALA  12           HB3      ALA  12  -3.427  -1.069  -1.033
   83    H    GLU  13           HN       GLU  13  -3.985  -4.510  -1.390
   84    HA   GLU  13           HA       GLU  13  -4.572  -5.510  -3.965
   85    HB2  GLU  13           HB2      GLU  13  -2.657  -6.268  -2.630
   86    HB3  GLU  13           HB1      GLU  13  -3.756  -6.985  -1.435
   87    HG2  GLU  13           HG2      GLU  13  -4.659  -8.496  -3.163
   88    HG3  GLU  13           HG1      GLU  13  -3.637  -7.743  -4.384
   89    H    LYS  14           HN       LYS  14  -6.010  -6.120  -0.783
   90    HA   LYS  14           HA       LYS  14  -7.932  -8.010  -1.679
   91    HB2  LYS  14           HB2      LYS  14  -7.260  -7.796   0.676
   92    HB3  LYS  14           HB1      LYS  14  -7.977  -6.188   0.745
   93    HG2  LYS  14           HG2      LYS  14 -10.193  -7.159   0.205
   94    HG3  LYS  14           HG1      LYS  14  -9.463  -8.763   0.114
   95    HD2  LYS  14           HD2      LYS  14  -8.796  -8.593   2.485
   96    HD3  LYS  14           HD1      LYS  14  -9.528  -6.990   2.574
   97    HE2  LYS  14           HE2      LYS  14 -11.097  -8.653   3.449
   98    HE3  LYS  14           HE1      LYS  14 -11.719  -7.986   1.939
   99    HZ1  LYS  14           HZ1      LYS  14 -10.017 -10.247   1.524
  100    HZ2  LYS  14           HZ2      LYS  14 -11.589  -9.954   0.948
  101    HZ3  LYS  14           HZ3      LYS  14 -11.358 -10.628   2.490
  102    H    ALA  15           HN       ALA  15  -8.008  -4.489  -1.240
  103    HA   ALA  15           HA       ALA  15 -10.740  -4.109  -1.776
  104    HB1  ALA  15           HB1      ALA  15 -10.069  -1.776  -2.336
  105    HB2  ALA  15           HB2      ALA  15  -8.381  -2.279  -2.259
  106    HB3  ALA  15           HB3      ALA  15  -9.385  -2.337  -0.811
  107    H    ASP  16           HN       ASP  16  -7.938  -4.288  -3.903
  108    HA   ASP  16           HA       ASP  16  -9.238  -3.556  -6.302
  109    HB2  ASP  16           HB2      ASP  16  -6.783  -3.662  -6.067
  110    HB3  ASP  16           HB1      ASP  16  -6.882  -5.419  -5.929
  111    H    GLU  17           HN       GLU  17  -8.773  -6.671  -4.694
  112    HA   GLU  17           HA       GLU  17  -9.858  -8.317  -6.710
  113    HB2  GLU  17           HB2      GLU  17  -9.689  -8.632  -3.708
  114    HB3  GLU  17           HB1      GLU  17 -10.271  -9.905  -4.777
  115    HG2  GLU  17           HG2      GLU  17  -8.148  -9.910  -5.987
  116    HG3  GLU  17           HG1      GLU  17  -7.562  -8.568  -5.005
  117    H    LEU  18           HN       LEU  18 -11.351  -6.583  -4.007
  118    HA   LEU  18           HA       LEU  18 -13.949  -7.652  -4.275
  119    HB2  LEU  18           HB2      LEU  18 -12.975  -5.016  -3.191
  120    HB3  LEU  18           HB1      LEU  18 -14.645  -5.565  -3.068
  121    HG   LEU  18           HG       LEU  18 -12.258  -7.123  -2.027
  122   HD11  LEU  18          HD11      LEU  18 -12.822  -6.326   0.158
  123   HD12  LEU  18          HD12      LEU  18 -14.301  -5.573  -0.435
  124   HD13  LEU  18          HD13      LEU  18 -12.734  -4.906  -0.881
  125   HD21  LEU  18          HD21      LEU  18 -15.230  -7.583  -2.087
  126   HD22  LEU  18          HD22      LEU  18 -14.341  -8.118  -0.663
  127   HD23  LEU  18          HD23      LEU  18 -13.910  -8.740  -2.249
  128    H    GLY  19           HN       GLY  19 -12.374  -4.840  -5.738
  129    HA2  GLY  19           HA2      GLY  19 -13.014  -4.393  -8.103
  130    HA3  GLY  19           HA1      GLY  19 -14.690  -4.547  -7.586
  131    H1   SER   1           HN       SER   1 -11.808  -2.771  -6.398
  132    HA   SER   1           HA       SER   1 -13.249  -0.231  -6.705
  133    HB2  SER   1           HB2      SER   1 -12.612   0.428  -4.385
  134    HB3  SER   1           HB1      SER   1 -13.787  -0.883  -4.430
  135    HG   SER   1           HG       SER   1 -11.734  -2.234  -4.407
  136    HA   PRO   2           HA       PRO   2  -8.759  -0.297  -8.081
  137    HB2  PRO   2           HB2      PRO   2 -10.057   1.623  -9.996
  138    HB3  PRO   2           HB1      PRO   2  -8.855   0.353 -10.314
  139    HG2  PRO   2           HG2      PRO   2 -11.384  -0.018 -10.979
  140    HG3  PRO   2           HG1      PRO   2 -10.446  -1.343 -10.259
  141    HD2  PRO   2           HD2      PRO   2 -12.518   0.417  -8.971
  142    HD3  PRO   2           HD1      PRO   2 -12.230  -1.326  -8.755
  143    H    GLU   3           HN       GLU   3 -11.055   2.386  -7.717
  144    HA   GLU   3           HA       GLU   3  -9.165   4.465  -7.356
  145    HB2  GLU   3           HB2      GLU   3 -12.028   4.133  -6.440
  146    HB3  GLU   3           HB1      GLU   3 -11.106   5.629  -6.247
  147    HG2  GLU   3           HG2      GLU   3 -10.814   5.858  -8.612
  148    HG3  GLU   3           HG1      GLU   3 -11.441   4.233  -8.908
  149    H    GLU   4           HN       GLU   4 -10.780   2.270  -5.072
  150    HA   GLU   4           HA       GLU   4  -9.752   3.514  -2.734
  151    HB2  GLU   4           HB2      GLU   4 -11.672   1.925  -2.756
  152    HB3  GLU   4           HB1      GLU   4 -10.547   0.621  -3.136
  153    HG2  GLU   4           HG2      GLU   4 -10.901   0.598  -0.755
  154    HG3  GLU   4           HG1      GLU   4  -9.282   1.222  -1.036
  155    H    ARG   5           HN       ARG   5  -8.624   0.902  -4.833
  156    HA   ARG   5           HA       ARG   5  -6.366   0.128  -3.348
  157    HB2  ARG   5           HB2      ARG   5  -7.071  -1.329  -5.053
  158    HB3  ARG   5           HB1      ARG   5  -7.128  -0.047  -6.260
  159    HG2  ARG   5           HG2      ARG   5  -4.443  -0.514  -5.015
  160    HG3  ARG   5           HG1      ARG   5  -5.050  -1.822  -6.022
  161    HD2  ARG   5           HD2      ARG   5  -5.397  -0.266  -7.897
  162    HD3  ARG   5           HD1      ARG   5  -4.851   1.078  -6.913
  163    HE   ARG   5           HE       ARG   5  -2.828  -0.887  -6.914
  164   HH11  ARG   5          HH11      ARG   5  -1.026  -0.600  -8.285
  165   HH12  ARG   5          HH12      ARG   5  -1.149   0.455  -9.653
  166   HH21  ARG   5          HH21      ARG   5  -4.447   1.325  -9.023
  167   HH22  ARG   5          HH22      ARG   5  -3.086   1.545 -10.071
  168    H    ALA   6           HN       ALA   6  -6.773   2.565  -5.911
  169    HA   ALA   6           HA       ALA   6  -4.074   3.274  -6.163
  170    HB1  ALA   6           HB1      ALA   6  -5.671   4.037  -7.789
  171    HB2  ALA   6           HB2      ALA   6  -4.984   5.462  -7.010
  172    HB3  ALA   6           HB3      ALA   6  -6.593   4.897  -6.556
  173    H    GLN   7           HN       GLN   7  -6.607   4.575  -4.034
  174    HA   GLN   7           HA       GLN   7  -4.980   6.570  -2.813
  175    HB2  GLN   7           HB2      GLN   7  -7.452   6.536  -2.665
  176    HB3  GLN   7           HB1      GLN   7  -7.364   5.078  -1.678
  177    HG2  GLN   7           HG2      GLN   7  -6.129   6.269   0.054
  178    HG3  GLN   7           HG1      GLN   7  -6.068   7.719  -0.950
  179   HE21  GLN   7          HE21      GLN   7  -7.276   7.770   1.642
  180   HE22  GLN   7          HE22      GLN   7  -8.951   8.010   1.446
  181    H    LEU   8           HN       LEU   8  -5.692   3.182  -1.943
  182    HA   LEU   8           HA       LEU   8  -4.218   3.213   0.479
  183    HB2  LEU   8           HB2      LEU   8  -5.048   0.960  -1.331
  184    HB3  LEU   8           HB1      LEU   8  -4.228   0.718   0.210
  185    HG   LEU   8           HG       LEU   8  -6.805   2.285  -0.096
  186   HD11  LEU   8          HD11      LEU   8  -7.780   0.202   1.005
  187   HD12  LEU   8          HD12      LEU   8  -6.274  -0.607   0.576
  188   HD13  LEU   8          HD13      LEU   8  -7.318   0.041  -0.687
  189   HD21  LEU   8          HD21      LEU   8  -6.778   1.506   2.481
  190   HD22  LEU   8          HD22      LEU   8  -5.978   2.981   1.958
  191   HD23  LEU   8          HD23      LEU   8  -5.036   1.514   2.213
  192    H    CYS   9           HN       CYS   9  -3.366   2.470  -2.859
  193    HA   CYS   9           HA       CYS   9  -0.797   1.424  -2.419
  194    HB2  CYS   9           HB2      CYS   9  -2.295   2.576  -4.685
  195    HB3  CYS   9           HB1      CYS   9  -0.549   2.753  -4.830
  196    H    THR  10           HN       THR  10  -1.930   4.760  -2.718
  197    HA   THR  10           HA       THR  10   0.605   6.023  -2.725
  198    HB   THR  10           HB       THR  10  -2.038   6.976  -1.653
  199    HG1  THR  10           HG1      THR  10  -2.516   7.049  -3.676
  200   HG21  THR  10          HG21      THR  10  -0.999   9.238  -2.243
  201   HG22  THR  10          HG22      THR  10   0.546   8.386  -2.271
  202   HG23  THR  10          HG23      THR  10  -0.404   8.445  -0.786
  203    H    ALA  11           HN       ALA  11  -1.608   5.167  -0.060
  204    HA   ALA  11           HA       ALA  11   0.012   6.227   2.000
  205    HB1  ALA  11           HB1      ALA  11  -2.267   5.671   2.496
  206    HB2  ALA  11           HB2      ALA  11  -1.252   4.595   3.457
  207    HB3  ALA  11           HB3      ALA  11  -2.030   3.998   1.990
  208    H    ALA  12           HN       ALA  12  -0.189   2.969   0.567
  209    HA   ALA  12           HA       ALA  12   1.803   1.813   2.232
  210    HB1  ALA  12           HB1      ALA  12   1.512  -0.096   0.965
  211    HB2  ALA  12           HB2      ALA  12   1.411   0.795  -0.556
  212    HB3  ALA  12           HB3      ALA  12   0.030   0.755   0.534
  213    H    GLU  13           HN       GLU  13   1.911   3.321  -0.969
  214    HA   GLU  13           HA       GLU  13   4.657   2.847  -1.465
  215    HB2  GLU  13           HB2      GLU  13   3.050   3.432  -3.231
  216    HB3  GLU  13           HB1      GLU  13   2.836   5.043  -2.520
  217    HG2  GLU  13           HG2      GLU  13   5.226   5.527  -2.892
  218    HG3  GLU  13           HG1      GLU  13   5.476   3.903  -3.526
  219    H    LYS  14           HN       LYS  14   2.912   5.612  -0.098
  220    HA   LYS  14           HA       LYS  14   5.194   7.253   0.299
  221    HB2  LYS  14           HB2      LYS  14   2.898   8.131   0.243
  222    HB3  LYS  14           HB1      LYS  14   2.518   7.259   1.726
  223    HG2  LYS  14           HG2      LYS  14   4.270   8.536   2.923
  224    HG3  LYS  14           HG1      LYS  14   4.666   9.388   1.429
  225    HD2  LYS  14           HD2      LYS  14   2.379  10.316   1.354
  226    HD3  LYS  14           HD1      LYS  14   1.986   9.463   2.848
  227    HE2  LYS  14           HE2      LYS  14   2.584  11.781   3.364
  228    HE3  LYS  14           HE1      LYS  14   3.818  10.692   4.001
  229    HZ1  LYS  14           HZ1      LYS  14   4.318  11.489   1.294
  230    HZ2  LYS  14           HZ2      LYS  14   5.348  11.532   2.646
  231    HZ3  LYS  14           HZ3      LYS  14   4.265  12.810   2.358
  232    H    ALA  15           HN       ALA  15   3.497   4.919   2.364
  233    HA   ALA  15           HA       ALA  15   4.943   5.388   4.730
  234    HB1  ALA  15           HB1      ALA  15   4.185   3.113   5.376
  235    HB2  ALA  15           HB2      ALA  15   3.636   2.853   3.722
  236    HB3  ALA  15           HB3      ALA  15   2.876   4.093   4.719
  237    H    ASP  16           HN       ASP  16   5.570   3.288   1.976
  238    HA   ASP  16           HA       ASP  16   7.792   1.913   3.054
  239    HB2  ASP  16           HB2      ASP  16   6.603   1.185   1.016
  240    HB3  ASP  16           HB1      ASP  16   7.222   2.600   0.162
  241    H    GLU  17           HN       GLU  17   7.495   4.931   1.232
  242    HA   GLU  17           HA       GLU  17  10.245   5.460   0.900
  243    HB2  GLU  17           HB2      GLU  17   7.837   7.281   1.065
  244    HB3  GLU  17           HB1      GLU  17   9.454   7.859   0.678
  245    HG2  GLU  17           HG2      GLU  17   9.558   6.374  -1.262
  246    HG3  GLU  17           HG1      GLU  17   7.977   5.703  -0.855
  247    H    LEU  18           HN       LEU  18   7.978   6.243   3.506
  248    HA   LEU  18           HA       LEU  18   9.705   7.897   5.005
  249    HB2  LEU  18           HB2      LEU  18   7.380   6.169   5.828
  250    HB3  LEU  18           HB1      LEU  18   8.197   7.287   6.917
  251    HG   LEU  18           HG       LEU  18   6.950   8.090   4.270
  252   HD11  LEU  18          HD11      LEU  18   5.095   8.941   5.535
  253   HD12  LEU  18          HD12      LEU  18   5.906   8.589   7.059
  254   HD13  LEU  18          HD13      LEU  18   5.338   7.271   6.040
  255   HD21  LEU  18          HD21      LEU  18   8.438   9.544   6.442
  256   HD22  LEU  18          HD22      LEU  18   7.100  10.383   5.658
  257   HD23  LEU  18          HD23      LEU  18   8.454   9.804   4.698
  258    H    GLY  19           HN       GLY  19   9.154   4.404   5.025
  259    HA2  GLY  19           HA2      GLY  19  11.206   3.042   5.416
  260    HA3  GLY  19           HA1      GLY  19  11.519   4.080   6.802
  261   HB11  B74 100          HB11      0AA 100   1.284  -4.857  -2.676
  262   HB12  B74 100          HB12      0AA 100  -0.136  -3.825  -2.485
  263    HG   B74 100           HG       0AA 100   0.125  -1.339  -3.124
  264    HE1  B74 100           HE1      0AA 100   2.578  -4.542  -4.608
  265    HE2  B74 100           HE2      0AA 100   2.125  -0.932  -6.913
  266    HZ   B74 100           HZ       0AA 100   3.033  -3.236  -6.675
  267   HB21  B74 100          HB21      0AA 100   0.750   0.807  -6.141
  268   HB22  B74 100          HB22      0AA 100   1.069   1.100  -4.429
  Start of MODEL    2
    1    H1   SER   1           HN       SER   1   8.417   2.545   5.660
    2    HA   SER   1           HA       SER   1   7.921   1.103   8.172
    3    HB2  SER   1           HB2      SER   1   5.667   2.416   6.651
    4    HB3  SER   1           HB1      SER   1   5.613   1.667   8.246
    5    HG   SER   1           HG       SER   1   7.351   3.389   8.655
    6    HA   PRO   2           HA       PRO   2   7.911  -1.364   4.127
    7    HB2  PRO   2           HB2      PRO   2   9.334  -3.208   6.021
    8    HB3  PRO   2           HB1      PRO   2   9.697  -2.835   4.323
    9    HG2  PRO   2           HG2      PRO   2  11.183  -1.825   6.258
   10    HG3  PRO   2           HG1      PRO   2  10.744  -0.832   4.851
   11    HD2  PRO   2           HD2      PRO   2   9.595  -0.764   7.636
   12    HD3  PRO   2           HD1      PRO   2   9.946   0.575   6.526
   13    H    GLU   3           HN       GLU   3   7.417  -2.412   7.482
   14    HA   GLU   3           HA       GLU   3   5.738  -4.613   6.863
   15    HB2  GLU   3           HB2      GLU   3   6.939  -4.383   9.013
   16    HB3  GLU   3           HB1      GLU   3   5.891  -3.020   9.427
   17    HG2  GLU   3           HG2      GLU   3   3.930  -4.414   9.349
   18    HG3  GLU   3           HG1      GLU   3   4.865  -5.767   8.705
   19    H    GLU   4           HN       GLU   4   5.094  -1.220   7.621
   20    HA   GLU   4           HA       GLU   4   2.299  -1.470   7.877
   21    HB2  GLU   4           HB2      GLU   4   3.585   0.537   8.550
   22    HB3  GLU   4           HB1      GLU   4   3.905   0.888   6.852
   23    HG2  GLU   4           HG2      GLU   4   2.033   2.238   7.559
   24    HG3  GLU   4           HG1      GLU   4   1.423   0.993   6.476
   25    H    ARG   5           HN       ARG   5   4.415  -0.953   5.105
   26    HA   ARG   5           HA       ARG   5   2.431  -0.548   3.169
   27    HB2  ARG   5           HB2      ARG   5   4.657  -0.046   2.590
   28    HB3  ARG   5           HB1      ARG   5   5.236  -1.637   3.058
   29    HG2  ARG   5           HG2      ARG   5   3.154  -1.531   0.899
   30    HG3  ARG   5           HG1      ARG   5   4.753  -0.936   0.482
   31    HD2  ARG   5           HD2      ARG   5   5.674  -3.149   1.424
   32    HD3  ARG   5           HD1      ARG   5   4.019  -3.710   1.445
   33    HE   ARG   5           HE       ARG   5   4.516  -2.696  -1.123
   34   HH11  ARG   5          HH11      ARG   5   4.996  -4.149  -2.800
   35   HH12  ARG   5          HH12      ARG   5   5.599  -5.728  -2.422
   36   HH21  ARG   5          HH21      ARG   5   5.506  -5.216   1.011
   37   HH22  ARG   5          HH22      ARG   5   5.889  -6.336  -0.253
   38    H    ALA   6           HN       ALA   6   3.965  -3.537   4.324
   39    HA   ALA   6           HA       ALA   6   2.748  -5.307   2.521
   40    HB1  ALA   6           HB1      ALA   6   3.465  -5.865   5.405
   41    HB2  ALA   6           HB2      ALA   6   4.618  -5.875   4.069
   42    HB3  ALA   6           HB3      ALA   6   3.300  -7.047   4.108
   43    H    GLN   7           HN       GLN   7   1.645  -4.191   5.717
   44    HA   GLN   7           HA       GLN   7  -0.718  -5.786   5.767
   45    HB2  GLN   7           HB2      GLN   7   0.005  -3.166   7.115
   46    HB3  GLN   7           HB1      GLN   7  -1.467  -4.071   7.466
   47    HG2  GLN   7           HG2      GLN   7  -0.130  -6.022   8.135
   48    HG3  GLN   7           HG1      GLN   7   1.353  -5.154   7.734
   49   HE21  GLN   7          HE21      GLN   7   1.515  -5.854  10.255
   50   HE22  GLN   7          HE22      GLN   7   1.044  -4.629  11.341
   51    H    LEU   8           HN       LEU   8  -0.049  -2.482   4.635
   52    HA   LEU   8           HA       LEU   8  -2.721  -1.834   3.965
   53    HB2  LEU   8           HB2      LEU   8  -0.089  -0.743   3.002
   54    HB3  LEU   8           HB1      LEU   8  -1.645  -0.082   2.505
   55    HG   LEU   8           HG       LEU   8  -0.816  -0.409   5.397
   56   HD11  LEU   8          HD11      LEU   8   0.673   1.140   4.222
   57   HD12  LEU   8          HD12      LEU   8  -0.374   2.014   5.339
   58   HD13  LEU   8          HD13      LEU   8  -0.719   2.028   3.609
   59   HD21  LEU   8          HD21      LEU   8  -3.202   0.767   3.978
   60   HD22  LEU   8          HD22      LEU   8  -2.666   1.521   5.473
   61   HD23  LEU   8          HD23      LEU   8  -3.146  -0.170   5.470
   62    H    CYS   9           HN       CYS   9  -0.102  -3.338   2.173
   63    HA   CYS   9           HA       CYS   9  -1.271  -3.344  -0.378
   64    HB2  CYS   9           HB2      CYS   9   1.107  -4.176   0.656
   65    HB3  CYS   9           HB1      CYS   9   0.332  -5.722   0.391
   66    H    THR  10           HN       THR  10  -1.583  -5.623   2.316
   67    HA   THR  10           HA       THR  10  -3.130  -7.529   0.926
   68    HB   THR  10           HB       THR  10  -3.127  -6.734   3.825
   69    HG1  THR  10           HG1      THR  10  -1.885  -8.896   3.677
   70   HG21  THR  10          HG21      THR  10  -4.269  -9.116   2.391
   71   HG22  THR  10          HG22      THR  10  -5.091  -8.002   3.487
   72   HG23  THR  10          HG23      THR  10  -3.894  -9.134   4.115
   73    H    ALA  11           HN       ALA  11  -4.078  -4.716   2.916
   74    HA   ALA  11           HA       ALA  11  -6.865  -5.100   2.554
   75    HB1  ALA  11           HB1      ALA  11  -7.132  -2.945   3.525
   76    HB2  ALA  11           HB2      ALA  11  -5.519  -2.437   3.026
   77    HB3  ALA  11           HB3      ALA  11  -5.710  -3.640   4.301
   78    H    ALA  12           HN       ALA  12  -4.495  -3.057   0.869
   79    HA   ALA  12           HA       ALA  12  -6.358  -1.922  -0.953
   80    HB1  ALA  12           HB1      ALA  12  -3.394  -2.267  -1.432
   81    HB2  ALA  12           HB2      ALA  12  -4.053  -1.028  -0.366
   82    HB3  ALA  12           HB3      ALA  12  -4.462  -1.021  -2.080
   83    H    GLU  13           HN       GLU  13  -4.165  -4.680  -1.118
   84    HA   GLU  13           HA       GLU  13  -4.647  -5.336  -3.822
   85    HB2  GLU  13           HB2      GLU  13  -2.709  -6.200  -2.626
   86    HB3  GLU  13           HB1      GLU  13  -3.757  -7.085  -1.493
   87    HG2  GLU  13           HG2      GLU  13  -3.941  -7.546  -4.482
   88    HG3  GLU  13           HG1      GLU  13  -2.717  -8.369  -3.521
   89    H    LYS  14           HN       LYS  14  -6.099  -6.497  -0.809
   90    HA   LYS  14           HA       LYS  14  -7.906  -8.314  -2.031
   91    HB2  LYS  14           HB2      LYS  14  -7.294  -8.432   0.349
   92    HB3  LYS  14           HB1      LYS  14  -8.093  -6.892   0.643
   93    HG2  LYS  14           HG2      LYS  14 -10.244  -7.870  -0.107
   94    HG3  LYS  14           HG1      LYS  14  -9.431  -9.405  -0.420
   95    HD2  LYS  14           HD2      LYS  14  -8.825  -9.567   1.968
   96    HD3  LYS  14           HD1      LYS  14  -9.649  -8.038   2.278
   97    HE2  LYS  14           HE2      LYS  14 -11.773  -9.017   1.491
   98    HE3  LYS  14           HE1      LYS  14 -10.953 -10.548   1.178
   99    HZ1  LYS  14           HZ1      LYS  14 -10.762 -11.008   3.375
  100    HZ2  LYS  14           HZ2      LYS  14 -12.177 -10.069   3.442
  101    HZ3  LYS  14           HZ3      LYS  14 -10.675  -9.378   3.840
  102    H    ALA  15           HN       ALA  15  -8.145  -4.907  -1.106
  103    HA   ALA  15           HA       ALA  15 -10.883  -4.565  -1.607
  104    HB1  ALA  15           HB1      ALA  15  -8.622  -2.577  -1.905
  105    HB2  ALA  15           HB2      ALA  15  -9.538  -2.892  -0.431
  106    HB3  ALA  15           HB3      ALA  15 -10.336  -2.167  -1.826
  107    H    ASP  16           HN       ASP  16  -8.084  -4.376  -3.739
  108    HA   ASP  16           HA       ASP  16  -9.421  -3.407  -6.021
  109    HB2  ASP  16           HB2      ASP  16  -6.960  -3.477  -5.819
  110    HB3  ASP  16           HB1      ASP  16  -7.011  -5.240  -5.881
  111    H    GLU  17           HN       GLU  17  -8.820  -6.696  -4.837
  112    HA   GLU  17           HA       GLU  17  -9.973  -8.052  -7.030
  113    HB2  GLU  17           HB2      GLU  17  -9.601  -8.841  -4.136
  114    HB3  GLU  17           HB1      GLU  17 -10.249  -9.937  -5.350
  115    HG2  GLU  17           HG2      GLU  17  -8.210  -9.650  -6.709
  116    HG3  GLU  17           HG1      GLU  17  -7.560  -8.548  -5.492
  117    H    LEU  18           HN       LEU  18 -11.348  -6.808  -4.019
  118    HA   LEU  18           HA       LEU  18 -13.923  -7.921  -4.309
  119    HB2  LEU  18           HB2      LEU  18 -12.951  -5.468  -2.870
  120    HB3  LEU  18           HB1      LEU  18 -14.614  -6.044  -2.773
  121    HG   LEU  18           HG       LEU  18 -12.181  -7.725  -2.100
  122   HD11  LEU  18          HD11      LEU  18 -13.996  -6.031  -0.393
  123   HD12  LEU  18          HD12      LEU  18 -12.236  -6.046  -0.451
  124   HD13  LEU  18          HD13      LEU  18 -13.101  -7.393   0.279
  125   HD21  LEU  18          HD21      LEU  18 -14.189  -8.942  -0.804
  126   HD22  LEU  18          HD22      LEU  18 -13.835  -9.312  -2.485
  127   HD23  LEU  18          HD23      LEU  18 -15.147  -8.204  -2.086
  128    H    GLY  19           HN       GLY  19 -12.541  -4.852  -5.400
  129    HA2  GLY  19           HA2      GLY  19 -13.442  -4.215  -7.691
  130    HA3  GLY  19           HA1      GLY  19 -15.024  -4.298  -6.929
  131    H1   SER   1           HN       SER   1 -11.842  -2.732  -6.442
  132    HA   SER   1           HA       SER   1 -13.118  -0.141  -6.194
  133    HB2  SER   1           HB2      SER   1 -11.430  -1.115  -3.888
  134    HB3  SER   1           HB1      SER   1 -12.421   0.340  -3.975
  135    HG   SER   1           HG       SER   1 -14.152  -1.398  -4.421
  136    HA   PRO   2           HA       PRO   2  -8.843  -0.524  -8.196
  137    HB2  PRO   2           HB2      PRO   2 -10.270   1.365 -10.043
  138    HB3  PRO   2           HB1      PRO   2  -9.183   0.014 -10.430
  139    HG2  PRO   2           HG2      PRO   2 -11.789  -0.226 -10.785
  140    HG3  PRO   2           HG1      PRO   2 -10.844  -1.578 -10.123
  141    HD2  PRO   2           HD2      PRO   2 -12.654   0.341  -8.670
  142    HD3  PRO   2           HD1      PRO   2 -12.430  -1.403  -8.423
  143    H    GLU   3           HN       GLU   3 -10.966   2.298  -7.809
  144    HA   GLU   3           HA       GLU   3  -8.893   4.228  -7.699
  145    HB2  GLU   3           HB2      GLU   3 -11.250   4.790  -8.195
  146    HB3  GLU   3           HB1      GLU   3 -11.678   4.380  -6.530
  147    HG2  GLU   3           HG2      GLU   3 -10.256   6.112  -5.659
  148    HG3  GLU   3           HG1      GLU   3  -9.583   6.428  -7.262
  149    H    GLU   4           HN       GLU   4 -10.571   2.358  -5.206
  150    HA   GLU   4           HA       GLU   4  -9.499   3.719  -2.990
  151    HB2  GLU   4           HB2      GLU   4 -11.365   2.101  -2.859
  152    HB3  GLU   4           HB1      GLU   4 -10.246   0.793  -3.234
  153    HG2  GLU   4           HG2      GLU   4 -10.551   0.858  -0.840
  154    HG3  GLU   4           HG1      GLU   4  -8.927   1.431  -1.189
  155    H    ARG   5           HN       ARG   5  -8.312   1.040  -4.944
  156    HA   ARG   5           HA       ARG   5  -6.053   0.412  -3.410
  157    HB2  ARG   5           HB2      ARG   5  -6.709  -1.115  -5.078
  158    HB3  ARG   5           HB1      ARG   5  -6.720   0.115  -6.334
  159    HG2  ARG   5           HG2      ARG   5  -4.128  -0.356  -4.918
  160    HG3  ARG   5           HG1      ARG   5  -4.674  -1.632  -5.992
  161    HD2  ARG   5           HD2      ARG   5  -4.967   0.192  -7.786
  162    HD3  ARG   5           HD1      ARG   5  -4.082   1.249  -6.711
  163    HE   ARG   5           HE       ARG   5  -2.561  -1.090  -6.994
  164   HH11  ARG   5          HH11      ARG   5  -0.825  -1.106  -8.469
  165   HH12  ARG   5          HH12      ARG   5  -0.783   0.050  -9.758
  166   HH21  ARG   5          HH21      ARG   5  -3.763   1.570  -8.831
  167   HH22  ARG   5          HH22      ARG   5  -2.453   1.572  -9.964
  168    H    ALA   6           HN       ALA   6  -6.477   2.713  -6.083
  169    HA   ALA   6           HA       ALA   6  -3.801   3.512  -6.336
  170    HB1  ALA   6           HB1      ALA   6  -6.266   5.212  -6.746
  171    HB2  ALA   6           HB2      ALA   6  -5.615   4.079  -7.932
  172    HB3  ALA   6           HB3      ALA   6  -4.672   5.488  -7.443
  173    H    GLN   7           HN       GLN   7  -6.397   4.844  -4.304
  174    HA   GLN   7           HA       GLN   7  -4.834   6.948  -3.190
  175    HB2  GLN   7           HB2      GLN   7  -7.270   5.459  -2.160
  176    HB3  GLN   7           HB1      GLN   7  -6.587   6.879  -1.369
  177    HG2  GLN   7           HG2      GLN   7  -6.927   8.204  -3.411
  178    HG3  GLN   7           HG1      GLN   7  -7.564   6.781  -4.238
  179   HE21  GLN   7          HE21      GLN   7  -9.418   8.631  -4.326
  180   HE22  GLN   7          HE22      GLN   7 -10.590   8.492  -3.098
  181    H    LEU   8           HN       LEU   8  -5.442   3.585  -2.180
  182    HA   LEU   8           HA       LEU   8  -4.043   3.773   0.281
  183    HB2  LEU   8           HB2      LEU   8  -4.760   1.432  -1.463
  184    HB3  LEU   8           HB1      LEU   8  -3.944   1.256   0.090
  185    HG   LEU   8           HG       LEU   8  -6.561   2.747  -0.276
  186   HD11  LEU   8          HD11      LEU   8  -6.832   0.393  -0.866
  187   HD12  LEU   8          HD12      LEU   8  -7.616   0.728   0.676
  188   HD13  LEU   8          HD13      LEU   8  -6.055  -0.091   0.639
  189   HD21  LEU   8          HD21      LEU   8  -4.843   2.008   2.087
  190   HD22  LEU   8          HD22      LEU   8  -6.590   2.039   2.303
  191   HD23  LEU   8          HD23      LEU   8  -5.745   3.492   1.788
  192    H    CYS   9           HN       CYS   9  -3.078   2.934  -2.994
  193    HA   CYS   9           HA       CYS   9  -0.503   1.992  -2.453
  194    HB2  CYS   9           HB2      CYS   9  -2.029   2.466  -4.740
  195    HB3  CYS   9           HB1      CYS   9  -0.658   3.541  -4.930
  196    H    THR  10           HN       THR  10  -1.670   5.283  -2.957
  197    HA   THR  10           HA       THR  10   0.852   6.537  -2.920
  198    HB   THR  10           HB       THR  10  -1.839   7.510  -2.000
  199    HG1  THR  10           HG1      THR  10  -1.446   8.578  -4.203
  200   HG21  THR  10          HG21      THR  10   0.730   8.953  -2.593
  201   HG22  THR  10          HG22      THR  10  -0.242   9.015  -1.120
  202   HG23  THR  10          HG23      THR  10  -0.840   9.755  -2.604
  203    H    ALA  11           HN       ALA  11  -1.467   5.877  -0.281
  204    HA   ALA  11           HA       ALA  11   0.156   7.008   1.748
  205    HB1  ALA  11           HB1      ALA  11  -1.364   6.034   3.291
  206    HB2  ALA  11           HB2      ALA  11  -1.824   4.766   2.154
  207    HB3  ALA  11           HB3      ALA  11  -2.330   6.432   1.870
  208    H    ALA  12           HN       ALA  12  -0.253   3.666   0.599
  209    HA   ALA  12           HA       ALA  12   1.594   2.533   2.442
  210    HB1  ALA  12           HB1      ALA  12   0.749   1.458  -0.257
  211    HB2  ALA  12           HB2      ALA  12  -0.168   1.244   1.235
  212    HB3  ALA  12           HB3      ALA  12   1.439   0.536   1.079
  213    H    GLU  13           HN       GLU  13   1.867   3.660  -0.892
  214    HA   GLU  13           HA       GLU  13   4.541   2.856  -1.304
  215    HB2  GLU  13           HB2      GLU  13   3.069   3.428  -3.163
  216    HB3  GLU  13           HB1      GLU  13   2.943   5.107  -2.589
  217    HG2  GLU  13           HG2      GLU  13   5.633   3.850  -3.204
  218    HG3  GLU  13           HG1      GLU  13   4.655   4.554  -4.486
  219    H    LYS  14           HN       LYS  14   3.127   5.916  -0.223
  220    HA   LYS  14           HA       LYS  14   5.591   7.290   0.077
  221    HB2  LYS  14           HB2      LYS  14   3.418   8.440  -0.087
  222    HB3  LYS  14           HB1      LYS  14   2.930   7.757   1.460
  223    HG2  LYS  14           HG2      LYS  14   4.835   8.902   2.558
  224    HG3  LYS  14           HG1      LYS  14   5.327   9.567   0.999
  225    HD2  LYS  14           HD2      LYS  14   3.169  10.755   0.829
  226    HD3  LYS  14           HD1      LYS  14   2.684  10.097   2.393
  227    HE2  LYS  14           HE2      LYS  14   4.610  11.211   3.463
  228    HE3  LYS  14           HE1      LYS  14   5.094  11.874   1.902
  229    HZ1  LYS  14           HZ1      LYS  14   3.395  13.347   1.888
  230    HZ2  LYS  14           HZ2      LYS  14   3.564  13.199   3.572
  231    HZ3  LYS  14           HZ3      LYS  14   2.346  12.338   2.759
  232    H    ALA  15           HN       ALA  15   3.623   5.336   2.269
  233    HA   ALA  15           HA       ALA  15   5.059   5.825   4.633
  234    HB1  ALA  15           HB1      ALA  15   3.582   3.319   3.792
  235    HB2  ALA  15           HB2      ALA  15   2.861   4.718   4.589
  236    HB3  ALA  15           HB3      ALA  15   4.049   3.733   5.443
  237    H    ASP  16           HN       ASP  16   5.544   3.495   2.043
  238    HA   ASP  16           HA       ASP  16   7.595   2.003   3.272
  239    HB2  ASP  16           HB2      ASP  16   6.409   1.254   1.238
  240    HB3  ASP  16           HB1      ASP  16   7.171   2.558   0.323
  241    H    GLU  17           HN       GLU  17   7.652   4.895   1.220
  242    HA   GLU  17           HA       GLU  17  10.464   5.141   1.072
  243    HB2  GLU  17           HB2      GLU  17   8.236   7.167   0.801
  244    HB3  GLU  17           HB1      GLU  17   9.930   7.572   0.551
  245    HG2  GLU  17           HG2      GLU  17  10.096   5.843  -1.198
  246    HG3  GLU  17           HG1      GLU  17   8.400   5.427  -0.944
  247    H    LEU  18           HN       LEU  18   8.078   6.380   3.371
  248    HA   LEU  18           HA       LEU  18   9.820   8.040   4.842
  249    HB2  LEU  18           HB2      LEU  18   7.287   6.614   5.605
  250    HB3  LEU  18           HB1      LEU  18   8.126   7.722   6.688
  251    HG   LEU  18           HG       LEU  18   7.210   8.439   3.888
  252   HD11  LEU  18          HD11      LEU  18   5.904   8.773   6.585
  253   HD12  LEU  18          HD12      LEU  18   5.227   8.090   5.108
  254   HD13  LEU  18          HD13      LEU  18   5.505   9.823   5.227
  255   HD21  LEU  18          HD21      LEU  18   7.450  10.808   5.139
  256   HD22  LEU  18          HD22      LEU  18   8.819  10.051   4.340
  257   HD23  LEU  18          HD23      LEU  18   8.632   9.909   6.088
  258    H    GLY  19           HN       GLY  19   8.964   4.620   5.198
  259    HA2  GLY  19           HA2      GLY  19  10.991   3.261   5.900
  260    HA3  GLY  19           HA1      GLY  19  11.068   4.355   7.274
  261   HB11  B74 100          HB11      0AA 100   2.451  -3.182  -0.827
  262   HB12  B74 100          HB12      0AA 100   2.450  -3.176  -2.584
  263    HG   B74 100           HG       0AA 100   0.934  -1.872  -3.847
  264    HE1  B74 100           HE1      0AA 100   0.682  -1.868   0.423
  265    HE2  B74 100           HE2      0AA 100  -2.170   0.357  -1.909
  266    HZ   B74 100           HZ       0AA 100  -1.398  -0.526   0.281
  267   HB21  B74 100          HB21      0AA 100  -2.054   0.268  -4.288
  268   HB22  B74 100          HB22      0AA 100  -1.024  -0.910  -5.091
  Start of MODEL    3
    1    H1   SER   1           HN       SER   1   8.053   1.750   6.201
    2    HA   SER   1           HA       SER   1   8.049   0.201   8.715
    3    HB2  SER   1           HB2      SER   1   6.645   2.207   9.063
    4    HB3  SER   1           HB1      SER   1   5.694   1.777   7.645
    5    HG   SER   1           HG       SER   1   5.781  -0.383   9.068
    6    HA   PRO   2           HA       PRO   2   7.323  -2.372   4.878
    7    HB2  PRO   2           HB2      PRO   2   8.572  -4.301   6.812
    8    HB3  PRO   2           HB1      PRO   2   8.881  -4.084   5.076
    9    HG2  PRO   2           HG2      PRO   2  10.608  -3.183   6.861
   10    HG3  PRO   2           HG1      PRO   2  10.225  -2.223   5.416
   11    HD2  PRO   2           HD2      PRO   2   9.283  -1.821   8.245
   12    HD3  PRO   2           HD1      PRO   2   9.716  -0.607   7.019
   13    H    GLU   3           HN       GLU   3   6.768  -3.086   8.318
   14    HA   GLU   3           HA       GLU   3   4.844  -5.135   7.975
   15    HB2  GLU   3           HB2      GLU   3   5.328  -3.147  10.211
   16    HB3  GLU   3           HB1      GLU   3   4.185  -4.489  10.327
   17    HG2  GLU   3           HG2      GLU   3   5.927  -6.108  10.027
   18    HG3  GLU   3           HG1      GLU   3   7.095  -4.853   9.598
   19    H    GLU   4           HN       GLU   4   4.523  -1.609   8.338
   20    HA   GLU   4           HA       GLU   4   1.680  -1.625   8.272
   21    HB2  GLU   4           HB2      GLU   4   3.721   0.523   7.680
   22    HB3  GLU   4           HB1      GLU   4   1.983   0.816   7.635
   23    HG2  GLU   4           HG2      GLU   4   1.758   0.163   9.959
   24    HG3  GLU   4           HG1      GLU   4   3.452  -0.321  10.032
   25    H    ARG   5           HN       ARG   5   4.188  -1.331   5.820
   26    HA   ARG   5           HA       ARG   5   2.525  -0.763   3.639
   27    HB2  ARG   5           HB2      ARG   5   4.838  -0.482   3.307
   28    HB3  ARG   5           HB1      ARG   5   5.211  -2.095   3.903
   29    HG2  ARG   5           HG2      ARG   5   3.423  -2.011   1.508
   30    HG3  ARG   5           HG1      ARG   5   5.052  -1.446   1.237
   31    HD2  ARG   5           HD2      ARG   5   5.981  -3.525   2.141
   32    HD3  ARG   5           HD1      ARG   5   4.370  -4.109   2.510
   33    HE   ARG   5           HE       ARG   5   4.505  -3.453  -0.244
   34   HH11  ARG   5          HH11      ARG   5   4.706  -5.143  -1.739
   35   HH12  ARG   5          HH12      ARG   5   5.286  -6.690  -1.218
   36   HH21  ARG   5          HH21      ARG   5   5.669  -5.717   2.091
   37   HH22  ARG   5          HH22      ARG   5   5.833  -7.016   0.957
   38    H    ALA   6           HN       ALA   6   3.575  -3.879   5.009
   39    HA   ALA   6           HA       ALA   6   2.471  -5.514   3.034
   40    HB1  ALA   6           HB1      ALA   6   2.684  -6.053   6.006
   41    HB2  ALA   6           HB2      ALA   6   3.971  -6.307   4.827
   42    HB3  ALA   6           HB3      ALA   6   2.496  -7.271   4.746
   43    H    GLN   7           HN       GLN   7   1.006  -4.291   6.046
   44    HA   GLN   7           HA       GLN   7  -1.526  -5.544   5.572
   45    HB2  GLN   7           HB2      GLN   7  -0.720  -4.749   7.805
   46    HB3  GLN   7           HB1      GLN   7  -0.927  -3.090   7.251
   47    HG2  GLN   7           HG2      GLN   7  -2.898  -3.773   8.517
   48    HG3  GLN   7           HG1      GLN   7  -3.338  -3.571   6.821
   49   HE21  GLN   7          HE21      GLN   7  -4.805  -5.202   6.300
   50   HE22  GLN   7          HE22      GLN   7  -4.643  -6.835   6.756
   51    H    LEU   8           HN       LEU   8  -0.260  -2.288   4.927
   52    HA   LEU   8           HA       LEU   8  -2.689  -1.212   3.929
   53    HB2  LEU   8           HB2      LEU   8   0.171  -0.396   3.928
   54    HB3  LEU   8           HB1      LEU   8  -0.865   0.350   2.717
   55    HG   LEU   8           HG       LEU   8  -2.450   1.028   4.513
   56   HD11  LEU   8          HD11      LEU   8  -1.721  -0.814   6.128
   57   HD12  LEU   8          HD12      LEU   8  -1.945   0.781   6.829
   58   HD13  LEU   8          HD13      LEU   8  -0.322   0.192   6.491
   59   HD21  LEU   8          HD21      LEU   8  -1.194   2.888   5.220
   60   HD22  LEU   8          HD22      LEU   8  -0.421   2.405   3.712
   61   HD23  LEU   8          HD23      LEU   8   0.312   1.972   5.257
   62    H    CYS   9           HN       CYS   9   0.003  -2.879   2.392
   63    HA   CYS   9           HA       CYS   9  -0.726  -2.441  -0.279
   64    HB2  CYS   9           HB2      CYS   9   1.432  -3.464   0.600
   65    HB3  CYS   9           HB1      CYS   9   0.537  -4.969   0.777
   66    H    THR  10           HN       THR  10  -1.703  -4.899   2.068
   67    HA   THR  10           HA       THR  10  -3.275  -6.496   0.340
   68    HB   THR  10           HB       THR  10  -3.603  -5.945   3.283
   69    HG1  THR  10           HG1      THR  10  -2.013  -7.275   3.539
   70   HG21  THR  10          HG21      THR  10  -4.682  -8.126   1.502
   71   HG22  THR  10          HG22      THR  10  -5.610  -6.949   2.434
   72   HG23  THR  10          HG23      THR  10  -4.689  -8.203   3.265
   73    H    ALA  11           HN       ALA  11  -4.063  -3.640   2.298
   74    HA   ALA  11           HA       ALA  11  -6.826  -3.634   1.795
   75    HB1  ALA  11           HB1      ALA  11  -6.767  -1.293   2.425
   76    HB2  ALA  11           HB2      ALA  11  -5.035  -1.210   2.106
   77    HB3  ALA  11           HB3      ALA  11  -5.638  -2.174   3.454
   78    H    ALA  12           HN       ALA  12  -4.133  -2.134  -0.009
   79    HA   ALA  12           HA       ALA  12  -5.749  -0.924  -1.997
   80    HB1  ALA  12           HB1      ALA  12  -3.721  -0.568  -3.205
   81    HB2  ALA  12           HB2      ALA  12  -2.917  -1.906  -2.385
   82    HB3  ALA  12           HB3      ALA  12  -3.306  -0.433  -1.497
   83    H    GLU  13           HN       GLU  13  -4.092  -4.056  -1.842
   84    HA   GLU  13           HA       GLU  13  -4.804  -4.923  -4.444
   85    HB2  GLU  13           HB2      GLU  13  -2.988  -5.945  -3.130
   86    HB3  GLU  13           HB1      GLU  13  -4.167  -6.574  -1.967
   87    HG2  GLU  13           HG2      GLU  13  -4.381  -7.190  -4.931
   88    HG3  GLU  13           HG1      GLU  13  -3.347  -8.150  -3.880
   89    H    LYS  14           HN       LYS  14  -6.281  -5.395  -1.281
   90    HA   LYS  14           HA       LYS  14  -8.397  -7.061  -2.111
   91    HB2  LYS  14           HB2      LYS  14  -7.749  -6.838   0.235
   92    HB3  LYS  14           HB1      LYS  14  -8.236  -5.147   0.237
   93    HG2  LYS  14           HG2      LYS  14 -10.567  -5.831  -0.292
   94    HG3  LYS  14           HG1      LYS  14 -10.061  -7.520  -0.317
   95    HD2  LYS  14           HD2      LYS  14  -9.396  -7.349   2.056
   96    HD3  LYS  14           HD1      LYS  14  -9.916  -5.662   2.077
   97    HE2  LYS  14           HE2      LYS  14 -12.214  -6.353   1.511
   98    HE3  LYS  14           HE1      LYS  14 -11.701  -8.041   1.470
   99    HZ1  LYS  14           HZ1      LYS  14 -12.738  -7.271   3.601
  100    HZ2  LYS  14           HZ2      LYS  14 -11.358  -6.312   3.850
  101    HZ3  LYS  14           HZ3      LYS  14 -11.217  -8.002   3.760
  102    H    ALA  15           HN       ALA  15  -8.053  -3.550  -1.931
  103    HA   ALA  15           HA       ALA  15 -10.718  -2.864  -2.451
  104    HB1  ALA  15           HB1      ALA  15  -8.198  -1.402  -3.278
  105    HB2  ALA  15           HB2      ALA  15  -9.010  -1.244  -1.720
  106    HB3  ALA  15           HB3      ALA  15  -9.815  -0.701  -3.192
  107    H    ASP  16           HN       ASP  16  -8.053  -3.643  -4.624
  108    HA   ASP  16           HA       ASP  16  -9.361  -3.028  -7.050
  109    HB2  ASP  16           HB2      ASP  16  -7.125  -4.942  -6.362
  110    HB3  ASP  16           HB1      ASP  16  -7.715  -4.737  -8.014
  111    H    GLU  17           HN       GLU  17  -9.246  -5.961  -5.079
  112    HA   GLU  17           HA       GLU  17 -10.657  -7.632  -6.874
  113    HB2  GLU  17           HB2      GLU  17 -10.402  -7.684  -3.857
  114    HB3  GLU  17           HB1      GLU  17 -11.174  -8.962  -4.791
  115    HG2  GLU  17           HG2      GLU  17  -8.346  -8.007  -5.287
  116    HG3  GLU  17           HG1      GLU  17  -8.744  -9.388  -4.264
  117    H    LEU  18           HN       LEU  18 -11.727  -5.447  -4.308
  118    HA   LEU  18           HA       LEU  18 -14.467  -6.129  -4.372
  119    HB2  LEU  18           HB2      LEU  18 -13.058  -3.597  -3.548
  120    HB3  LEU  18           HB1      LEU  18 -14.787  -3.865  -3.329
  121    HG   LEU  18           HG       LEU  18 -12.620  -5.690  -2.249
  122   HD11  LEU  18          HD11      LEU  18 -12.460  -3.588  -1.113
  123   HD12  LEU  18          HD12      LEU  18 -13.306  -4.696  -0.040
  124   HD13  LEU  18          HD13      LEU  18 -14.208  -3.479  -0.942
  125   HD21  LEU  18          HD21      LEU  18 -14.488  -7.066  -2.268
  126   HD22  LEU  18          HD22      LEU  18 -15.620  -5.718  -2.175
  127   HD23  LEU  18          HD23      LEU  18 -14.764  -6.253  -0.732
  128    H    GLY  19           HN       GLY  19 -12.573  -3.737  -6.145
  129    HA2  GLY  19           HA2      GLY  19 -13.135  -3.238  -8.451
  130    HA3  GLY  19           HA1      GLY  19 -14.836  -3.395  -8.029
  131    H1   SER   1           HN       SER   1 -12.048  -1.561  -6.719
  132    HA   SER   1           HA       SER   1 -13.517   0.949  -7.143
  133    HB2  SER   1           HB2      SER   1 -14.041   0.234  -4.838
  134    HB3  SER   1           HB1      SER   1 -12.320   0.110  -4.488
  135    HG   SER   1           HG       SER   1 -12.536   2.448  -5.487
  136    HA   PRO   2           HA       PRO   2  -9.033   0.975  -8.492
  137    HB2  PRO   2           HB2      PRO   2 -10.349   2.969 -10.314
  138    HB3  PRO   2           HB1      PRO   2  -9.138   1.724 -10.689
  139    HG2  PRO   2           HG2      PRO   2 -11.671   1.374 -11.366
  140    HG3  PRO   2           HG1      PRO   2 -10.714   0.019 -10.728
  141    HD2  PRO   2           HD2      PRO   2 -12.816   1.658  -9.335
  142    HD3  PRO   2           HD1      PRO   2 -12.464  -0.080  -9.193
  143    H    GLU   3           HN       GLU   3 -11.332   3.633  -7.960
  144    HA   GLU   3           HA       GLU   3  -9.447   5.704  -7.563
  145    HB2  GLU   3           HB2      GLU   3 -12.269   5.297  -6.531
  146    HB3  GLU   3           HB1      GLU   3 -11.360   6.799  -6.330
  147    HG2  GLU   3           HG2      GLU   3 -11.189   7.108  -8.704
  148    HG3  GLU   3           HG1      GLU   3 -11.827   5.489  -9.015
  149    H    GLU   4           HN       GLU   4 -11.012   3.455  -5.293
  150    HA   GLU   4           HA       GLU   4  -9.787   4.558  -2.979
  151    HB2  GLU   4           HB2      GLU   4 -10.979   1.841  -3.555
  152    HB3  GLU   4           HB1      GLU   4 -10.344   2.295  -1.972
  153    HG2  GLU   4           HG2      GLU   4 -11.906   4.136  -1.808
  154    HG3  GLU   4           HG1      GLU   4 -12.463   3.872  -3.460
  155    H    ARG   5           HN       ARG   5  -8.900   1.980  -5.213
  156    HA   ARG   5           HA       ARG   5  -6.654   1.036  -3.837
  157    HB2  ARG   5           HB2      ARG   5  -7.435  -0.287  -5.612
  158    HB3  ARG   5           HB1      ARG   5  -7.454   1.066  -6.737
  159    HG2  ARG   5           HG2      ARG   5  -4.778   0.416  -5.576
  160    HG3  ARG   5           HG1      ARG   5  -5.449  -0.803  -6.637
  161    HD2  ARG   5           HD2      ARG   5  -5.769   0.857  -8.416
  162    HD3  ARG   5           HD1      ARG   5  -5.159   2.124  -7.370
  163    HE   ARG   5           HE       ARG   5  -3.226   0.057  -7.538
  164   HH11  ARG   5          HH11      ARG   5  -1.426   0.375  -8.879
  165   HH12  ARG   5          HH12      ARG   5  -1.488   1.566 -10.135
  166   HH21  ARG   5          HH21      ARG   5  -4.730   2.555  -9.388
  167   HH22  ARG   5          HH22      ARG   5  -3.364   2.804 -10.423
  168    H    ALA   6           HN       ALA   6  -6.987   3.651  -6.223
  169    HA   ALA   6           HA       ALA   6  -4.266   4.211  -6.529
  170    HB1  ALA   6           HB1      ALA   6  -6.580   6.160  -6.566
  171    HB2  ALA   6           HB2      ALA   6  -6.057   5.172  -7.931
  172    HB3  ALA   6           HB3      ALA   6  -4.991   6.419  -7.286
  173    H    GLN   7           HN       GLN   7  -6.618   5.546  -4.223
  174    HA   GLN   7           HA       GLN   7  -4.695   7.213  -2.901
  175    HB2  GLN   7           HB2      GLN   7  -7.175   7.569  -2.822
  176    HB3  GLN   7           HB1      GLN   7  -7.314   6.131  -1.815
  177    HG2  GLN   7           HG2      GLN   7  -7.268   8.117  -0.394
  178    HG3  GLN   7           HG1      GLN   7  -5.789   7.189  -0.148
  179   HE21  GLN   7          HE21      GLN   7  -4.091   8.649   0.092
  180   HE22  GLN   7          HE22      GLN   7  -3.858  10.034  -0.872
  181    H    LEU   8           HN       LEU   8  -5.953   3.941  -2.289
  182    HA   LEU   8           HA       LEU   8  -4.615   3.605   0.205
  183    HB2  LEU   8           HB2      LEU   8  -6.122   1.882  -1.688
  184    HB3  LEU   8           HB1      LEU   8  -4.985   1.053  -0.632
  185    HG   LEU   8           HG       LEU   8  -6.040   2.163   1.338
  186   HD11  LEU   8          HD11      LEU   8  -6.952   4.121  -0.032
  187   HD12  LEU   8          HD12      LEU   8  -8.060   3.422   1.141
  188   HD13  LEU   8          HD13      LEU   8  -8.227   3.028  -0.567
  189   HD21  LEU   8          HD21      LEU   8  -7.900   0.703   1.434
  190   HD22  LEU   8          HD22      LEU   8  -6.771  -0.089   0.338
  191   HD23  LEU   8          HD23      LEU   8  -8.161   0.784  -0.307
  192    H    CYS   9           HN       CYS   9  -3.770   2.898  -3.131
  193    HA   CYS   9           HA       CYS   9  -1.468   1.371  -2.666
  194    HB2  CYS   9           HB2      CYS   9  -2.620   1.717  -4.884
  195    HB3  CYS   9           HB1      CYS   9  -1.874   3.311  -4.950
  196    H    THR  10           HN       THR  10  -1.964   4.857  -2.875
  197    HA   THR  10           HA       THR  10   0.741   5.660  -2.716
  198    HB   THR  10           HB       THR  10  -1.737   7.062  -1.728
  199    HG1  THR  10           HG1      THR  10  -2.071   7.542  -3.733
  200   HG21  THR  10          HG21      THR  10   1.040   8.068  -2.346
  201   HG22  THR  10          HG22      THR  10   0.225   8.090  -0.781
  202   HG23  THR  10          HG23      THR  10  -0.360   9.112  -2.094
  203    H    ALA  11           HN       ALA  11  -1.676   4.950  -0.221
  204    HA   ALA  11           HA       ALA  11  -0.140   5.781   1.982
  205    HB1  ALA  11           HB1      ALA  11  -1.614   4.396   3.315
  206    HB2  ALA  11           HB2      ALA  11  -2.093   3.469   1.893
  207    HB3  ALA  11           HB3      ALA  11  -2.568   5.161   2.044
  208    H    ALA  12           HN       ALA  12  -0.358   2.620   0.344
  209    HA   ALA  12           HA       ALA  12   1.459   1.279   2.053
  210    HB1  ALA  12           HB1      ALA  12   1.473  -0.458   0.413
  211    HB2  ALA  12           HB2      ALA  12   0.997   0.656  -0.869
  212    HB3  ALA  12           HB3      ALA  12  -0.154   0.222   0.394
  213    H    GLU  13           HN       GLU  13   1.881   3.004  -1.015
  214    HA   GLU  13           HA       GLU  13   4.652   2.487  -1.294
  215    HB2  GLU  13           HB2      GLU  13   3.216   3.245  -3.151
  216    HB3  GLU  13           HB1      GLU  13   3.015   4.820  -2.364
  217    HG2  GLU  13           HG2      GLU  13   5.764   3.694  -2.977
  218    HG3  GLU  13           HG1      GLU  13   4.856   4.576  -4.199
  219    H    LYS  14           HN       LYS  14   2.849   5.158   0.125
  220    HA   LYS  14           HA       LYS  14   5.060   6.762   0.820
  221    HB2  LYS  14           HB2      LYS  14   2.778   7.637   0.747
  222    HB3  LYS  14           HB1      LYS  14   2.308   6.594   2.085
  223    HG2  LYS  14           HG2      LYS  14   3.965   7.728   3.543
  224    HG3  LYS  14           HG1      LYS  14   4.458   8.744   2.188
  225    HD2  LYS  14           HD2      LYS  14   2.173   9.676   2.066
  226    HD3  LYS  14           HD1      LYS  14   1.692   8.668   3.432
  227    HE2  LYS  14           HE2      LYS  14   3.376   9.775   4.853
  228    HE3  LYS  14           HE1      LYS  14   3.877  10.775   3.488
  229    HZ1  LYS  14           HZ1      LYS  14   2.247  11.817   5.061
  230    HZ2  LYS  14           HZ2      LYS  14   1.092  10.707   4.496
  231    HZ3  LYS  14           HZ3      LYS  14   1.790  11.830   3.429
  232    H    ALA  15           HN       ALA  15   3.389   4.145   2.503
  233    HA   ALA  15           HA       ALA  15   4.644   4.408   4.996
  234    HB1  ALA  15           HB1      ALA  15   3.672   1.906   3.596
  235    HB2  ALA  15           HB2      ALA  15   2.705   2.953   4.635
  236    HB3  ALA  15           HB3      ALA  15   4.045   2.029   5.315
  237    H    ASP  16           HN       ASP  16   5.637   2.748   2.053
  238    HA   ASP  16           HA       ASP  16   7.923   1.463   3.105
  239    HB2  ASP  16           HB2      ASP  16   7.197   2.374   0.317
  240    HB3  ASP  16           HB1      ASP  16   8.706   1.530   0.673
  241    H    GLU  17           HN       GLU  17   7.410   4.658   1.688
  242    HA   GLU  17           HA       GLU  17  10.123   5.461   1.658
  243    HB2  GLU  17           HB2      GLU  17   7.562   7.061   1.878
  244    HB3  GLU  17           HB1      GLU  17   9.151   7.785   1.650
  245    HG2  GLU  17           HG2      GLU  17   7.987   5.689  -0.199
  246    HG3  GLU  17           HG1      GLU  17   7.857   7.425  -0.486
  247    H    LEU  18           HN       LEU  18   7.590   5.699   4.114
  248    HA   LEU  18           HA       LEU  18   9.040   7.240   5.984
  249    HB2  LEU  18           HB2      LEU  18   6.771   5.292   6.331
  250    HB3  LEU  18           HB1      LEU  18   7.409   6.284   7.642
  251    HG   LEU  18           HG       LEU  18   6.378   7.387   5.012
  252   HD11  LEU  18          HD11      LEU  18   4.528   6.405   6.165
  253   HD12  LEU  18          HD12      LEU  18   4.441   8.141   6.441
  254   HD13  LEU  18          HD13      LEU  18   5.052   7.075   7.706
  255   HD21  LEU  18          HD21      LEU  18   7.714   9.105   5.830
  256   HD22  LEU  18          HD22      LEU  18   7.515   8.610   7.510
  257   HD23  LEU  18          HD23      LEU  18   6.220   9.472   6.684
  258    H    GLY  19           HN       GLY  19   8.748   3.762   5.486
  259    HA2  GLY  19           HA2      GLY  19  10.674   2.341   5.883
  260    HA3  GLY  19           HA1      GLY  19  11.084   3.351   7.265
  261   HB11  B74 100          HB11      0AA 100   1.566  -2.131  -1.257
  262   HB12  B74 100          HB12      0AA 100   2.884  -3.171  -1.807
  263    HG   B74 100           HG       0AA 100  -0.083  -1.243  -2.801
  264    HE1  B74 100           HE1      0AA 100   3.334  -3.467  -4.146
  265    HE2  B74 100           HE2      0AA 100   1.191  -0.930  -6.889
  266    HZ   B74 100           HZ       0AA 100   3.092  -2.461  -6.408
  267   HB21  B74 100          HB21      0AA 100  -1.556  -0.281  -4.437
  268   HB22  B74 100          HB22      0AA 100  -1.212  -0.405  -6.166
  Start of MODEL    4
    1    H1   SER   1           HN       SER   1   8.184   1.779   6.000
    2    HA   SER   1           HA       SER   1   8.014   0.267   8.536
    3    HB2  SER   1           HB2      SER   1   5.759   1.007   8.850
    4    HB3  SER   1           HB1      SER   1   6.836   2.397   8.774
    5    HG   SER   1           HG       SER   1   5.799   1.520   6.365
    6    HA   PRO   2           HA       PRO   2   7.028  -2.253   4.702
    7    HB2  PRO   2           HB2      PRO   2   8.117  -4.592   5.795
    8    HB3  PRO   2           HB1      PRO   2   9.008  -3.443   4.776
    9    HG2  PRO   2           HG2      PRO   2   8.944  -3.677   7.754
   10    HG3  PRO   2           HG1      PRO   2  10.320  -3.362   6.681
   11    HD2  PRO   2           HD2      PRO   2   9.190  -1.397   8.062
   12    HD3  PRO   2           HD1      PRO   2   9.763  -1.111   6.407
   13    H    GLU   3           HN       GLU   3   6.602  -2.939   8.150
   14    HA   GLU   3           HA       GLU   3   4.593  -4.945   7.857
   15    HB2  GLU   3           HB2      GLU   3   5.292  -3.048  10.121
   16    HB3  GLU   3           HB1      GLU   3   4.099  -4.343  10.262
   17    HG2  GLU   3           HG2      GLU   3   5.744  -6.027   9.826
   18    HG3  GLU   3           HG1      GLU   3   6.947  -4.818   9.361
   19    H    GLU   4           HN       GLU   4   4.487  -1.414   8.278
   20    HA   GLU   4           HA       GLU   4   1.632  -1.259   8.380
   21    HB2  GLU   4           HB2      GLU   4   3.753   0.784   7.717
   22    HB3  GLU   4           HB1      GLU   4   2.035   1.165   7.831
   23    HG2  GLU   4           HG2      GLU   4   1.978   0.388  10.147
   24    HG3  GLU   4           HG1      GLU   4   3.668  -0.102  10.051
   25    H    ARG   5           HN       ARG   5   4.048  -1.052   5.816
   26    HA   ARG   5           HA       ARG   5   2.287  -0.336   3.741
   27    HB2  ARG   5           HB2      ARG   5   4.582  -0.080   3.282
   28    HB3  ARG   5           HB1      ARG   5   4.964  -1.708   3.829
   29    HG2  ARG   5           HG2      ARG   5   3.065  -1.571   1.516
   30    HG3  ARG   5           HG1      ARG   5   4.711  -1.029   1.184
   31    HD2  ARG   5           HD2      ARG   5   5.620  -3.136   2.038
   32    HD3  ARG   5           HD1      ARG   5   4.006  -3.699   2.452
   33    HE   ARG   5           HE       ARG   5   4.174  -2.981  -0.311
   34   HH11  ARG   5          HH11      ARG   5   4.170  -4.682  -1.805
   35   HH12  ARG   5          HH12      ARG   5   4.522  -6.293  -1.275
   36   HH21  ARG   5          HH21      ARG   5   4.975  -5.383   2.040
   37   HH22  ARG   5          HH22      ARG   5   4.979  -6.692   0.905
   38    H    ALA   6           HN       ALA   6   3.324  -3.494   5.016
   39    HA   ALA   6           HA       ALA   6   2.174  -5.104   3.060
   40    HB1  ALA   6           HB1      ALA   6   2.166  -6.868   4.803
   41    HB2  ALA   6           HB2      ALA   6   2.463  -5.632   6.026
   42    HB3  ALA   6           HB3      ALA   6   3.681  -5.962   4.794
   43    H    GLN   7           HN       GLN   7   0.762  -3.879   6.090
   44    HA   GLN   7           HA       GLN   7  -1.772  -5.147   5.715
   45    HB2  GLN   7           HB2      GLN   7  -0.936  -4.206   7.884
   46    HB3  GLN   7           HB1      GLN   7  -1.167  -2.587   7.228
   47    HG2  GLN   7           HG2      GLN   7  -3.110  -3.202   8.572
   48    HG3  GLN   7           HG1      GLN   7  -3.578  -3.106   6.873
   49   HE21  GLN   7          HE21      GLN   7  -5.034  -4.774   6.464
   50   HE22  GLN   7          HE22      GLN   7  -4.853  -6.376   7.009
   51    H    LEU   8           HN       LEU   8  -0.582  -1.908   4.901
   52    HA   LEU   8           HA       LEU   8  -3.031  -0.981   3.800
   53    HB2  LEU   8           HB2      LEU   8  -0.191  -0.056   3.784
   54    HB3  LEU   8           HB1      LEU   8  -1.275   0.644   2.589
   55    HG   LEU   8           HG       LEU   8  -1.083   1.903   4.802
   56   HD11  LEU   8          HD11      LEU   8  -3.943   1.044   4.358
   57   HD12  LEU   8          HD12      LEU   8  -3.084   1.917   3.091
   58   HD13  LEU   8          HD13      LEU   8  -3.299   2.652   4.674
   59   HD21  LEU   8          HD21      LEU   8  -1.230  -0.371   6.114
   60   HD22  LEU   8          HD22      LEU   8  -2.968  -0.173   5.939
   61   HD23  LEU   8          HD23      LEU   8  -2.024   1.050   6.784
   62    H    CYS   9           HN       CYS   9  -0.266  -2.594   2.438
   63    HA   CYS   9           HA       CYS   9  -0.918  -2.312  -0.265
   64    HB2  CYS   9           HB2      CYS   9   1.235  -3.261   0.721
   65    HB3  CYS   9           HB1      CYS   9   0.348  -4.762   0.972
   66    H    THR  10           HN       THR  10  -1.900  -4.682   2.160
   67    HA   THR  10           HA       THR  10  -3.382  -6.404   0.470
   68    HB   THR  10           HB       THR  10  -3.773  -5.737   3.377
   69    HG1  THR  10           HG1      THR  10  -2.707  -8.067   3.143
   70   HG21  THR  10          HG21      THR  10  -4.776  -8.067   3.392
   71   HG22  THR  10          HG22      THR  10  -4.831  -7.944   1.631
   72   HG23  THR  10          HG23      THR  10  -5.744  -6.809   2.625
   73    H    ALA  11           HN       ALA  11  -4.318  -3.501   2.304
   74    HA   ALA  11           HA       ALA  11  -7.073  -3.617   1.738
   75    HB1  ALA  11           HB1      ALA  11  -6.341  -2.070   3.396
   76    HB2  ALA  11           HB2      ALA  11  -6.927  -1.080   2.057
   77    HB3  ALA  11           HB3      ALA  11  -5.196  -1.320   2.287
   78    H    ALA  12           HN       ALA  12  -4.383  -2.077  -0.034
   79    HA   ALA  12           HA       ALA  12  -5.990  -0.971  -2.104
   80    HB1  ALA  12           HB1      ALA  12  -3.739  -1.039  -3.380
   81    HB2  ALA  12           HB2      ALA  12  -3.063  -1.657  -1.874
   82    HB3  ALA  12           HB3      ALA  12  -3.814  -0.067  -1.913
   83    H    GLU  13           HN       GLU  13  -4.184  -4.023  -1.808
   84    HA   GLU  13           HA       GLU  13  -4.755  -4.980  -4.412
   85    HB2  GLU  13           HB2      GLU  13  -2.953  -5.894  -3.008
   86    HB3  GLU  13           HB1      GLU  13  -4.149  -6.539  -1.870
   87    HG2  GLU  13           HG2      GLU  13  -5.092  -7.956  -3.670
   88    HG3  GLU  13           HG1      GLU  13  -3.949  -7.270  -4.824
   89    H    LYS  14           HN       LYS  14  -6.331  -5.509  -1.287
   90    HA   LYS  14           HA       LYS  14  -8.319  -7.281  -2.219
   91    HB2  LYS  14           HB2      LYS  14  -7.753  -7.073   0.150
   92    HB3  LYS  14           HB1      LYS  14  -8.362  -5.418   0.169
   93    HG2  LYS  14           HG2      LYS  14 -10.625  -6.256  -0.456
   94    HG3  LYS  14           HG1      LYS  14  -9.995  -7.903  -0.495
   95    HD2  LYS  14           HD2      LYS  14  -9.413  -7.734   1.893
   96    HD3  LYS  14           HD1      LYS  14 -10.055  -6.090   1.928
   97    HE2  LYS  14           HE2      LYS  14 -12.278  -6.937   1.281
   98    HE3  LYS  14           HE1      LYS  14 -11.642  -8.582   1.236
   99    HZ1  LYS  14           HZ1      LYS  14 -12.320  -6.919   3.510
  100    HZ2  LYS  14           HZ2      LYS  14 -10.873  -7.797   3.664
  101    HZ3  LYS  14           HZ3      LYS  14 -12.334  -8.607   3.357
  102    H    ALA  15           HN       ALA  15  -8.263  -3.763  -1.797
  103    HA   ALA  15           HA       ALA  15 -10.944  -3.282  -2.477
  104    HB1  ALA  15           HB1      ALA  15 -10.263  -0.973  -2.823
  105    HB2  ALA  15           HB2      ALA  15  -8.572  -1.462  -2.936
  106    HB3  ALA  15           HB3      ALA  15  -9.436  -1.619  -1.406
  107    H    ASP  16           HN       ASP  16  -8.047  -3.543  -4.442
  108    HA   ASP  16           HA       ASP  16  -9.144  -2.707  -6.895
  109    HB2  ASP  16           HB2      ASP  16  -6.724  -2.970  -6.529
  110    HB3  ASP  16           HB1      ASP  16  -6.934  -4.718  -6.401
  111    H    GLU  17           HN       GLU  17  -8.984  -5.913  -5.363
  112    HA   GLU  17           HA       GLU  17 -10.041  -7.386  -7.512
  113    HB2  GLU  17           HB2      GLU  17  -8.895  -8.393  -5.552
  114    HB3  GLU  17           HB1      GLU  17 -10.272  -7.945  -4.542
  115    HG2  GLU  17           HG2      GLU  17 -11.754  -9.311  -5.931
  116    HG3  GLU  17           HG1      GLU  17 -10.402  -9.749  -6.974
  117    H    LEU  18           HN       LEU  18 -11.558  -5.683  -4.804
  118    HA   LEU  18           HA       LEU  18 -14.193  -6.582  -5.221
  119    HB2  LEU  18           HB2      LEU  18 -13.138  -4.033  -4.005
  120    HB3  LEU  18           HB1      LEU  18 -14.840  -4.505  -3.975
  121    HG   LEU  18           HG       LEU  18 -12.570  -6.200  -2.890
  122   HD11  LEU  18          HD11      LEU  18 -12.961  -4.059  -1.645
  123   HD12  LEU  18          HD12      LEU  18 -13.266  -5.508  -0.690
  124   HD13  LEU  18          HD13      LEU  18 -14.615  -4.593  -1.358
  125   HD21  LEU  18          HD21      LEU  18 -14.748  -7.186  -1.666
  126   HD22  LEU  18          HD22      LEU  18 -14.251  -7.757  -3.253
  127   HD23  LEU  18          HD23      LEU  18 -15.546  -6.569  -3.117
  128    H    GLY  19           HN       GLY  19 -12.422  -3.829  -6.526
  129    HA2  GLY  19           HA2      GLY  19 -12.902  -3.222  -8.872
  130    HA3  GLY  19           HA1      GLY  19 -14.614  -3.409  -8.494
  131    H1   SER   1           HN       SER   1 -11.908  -1.729  -6.834
  132    HA   SER   1           HA       SER   1 -13.362   0.819  -7.106
  133    HB2  SER   1           HB2      SER   1 -12.997   1.348  -4.795
  134    HB3  SER   1           HB1      SER   1 -13.935  -0.134  -4.930
  135    HG   SER   1           HG       SER   1 -11.198  -0.464  -4.900
  136    HA   PRO   2           HA       PRO   2  -8.803   0.933  -8.218
  137    HB2  PRO   2           HB2      PRO   2  -9.213   2.826 -10.246
  138    HB3  PRO   2           HB1      PRO   2  -9.192   1.067 -10.492
  139    HG2  PRO   2           HG2      PRO   2 -11.525   2.901 -10.145
  140    HG3  PRO   2           HG1      PRO   2 -11.325   1.536 -11.260
  141    HD2  PRO   2           HD2      PRO   2 -12.783   1.296  -9.059
  142    HD3  PRO   2           HD1      PRO   2 -11.761  -0.049  -9.601
  143    H    GLU   3           HN       GLU   3 -11.178   3.522  -7.779
  144    HA   GLU   3           HA       GLU   3  -9.322   5.620  -7.261
  145    HB2  GLU   3           HB2      GLU   3 -12.218   5.205  -6.471
  146    HB3  GLU   3           HB1      GLU   3 -11.330   6.701  -6.171
  147    HG2  GLU   3           HG2      GLU   3 -10.956   7.042  -8.519
  148    HG3  GLU   3           HG1      GLU   3 -11.587   5.437  -8.907
  149    H    GLU   4           HN       GLU   4 -11.026   3.304  -5.170
  150    HA   GLU   4           HA       GLU   4  -9.998   4.380  -2.727
  151    HB2  GLU   4           HB2      GLU   4 -11.145   1.679  -3.434
  152    HB3  GLU   4           HB1      GLU   4 -10.675   2.137  -1.797
  153    HG2  GLU   4           HG2      GLU   4 -12.236   4.019  -1.839
  154    HG3  GLU   4           HG1      GLU   4 -12.669   3.651  -3.508
  155    H    ARG   5           HN       ARG   5  -8.958   1.850  -4.961
  156    HA   ARG   5           HA       ARG   5  -6.829   0.877  -3.396
  157    HB2  ARG   5           HB2      ARG   5  -7.487  -0.484  -5.198
  158    HB3  ARG   5           HB1      ARG   5  -7.451   0.854  -6.341
  159    HG2  ARG   5           HG2      ARG   5  -4.822   0.243  -5.031
  160    HG3  ARG   5           HG1      ARG   5  -5.440  -1.001  -6.125
  161    HD2  ARG   5           HD2      ARG   5  -5.694   0.646  -7.926
  162    HD3  ARG   5           HD1      ARG   5  -5.138   1.934  -6.863
  163    HE   ARG   5           HE       ARG   5  -3.233  -0.203  -7.008
  164   HH11  ARG   5          HH11      ARG   5  -1.329   0.216  -8.157
  165   HH12  ARG   5          HH12      ARG   5  -1.261   1.559  -9.249
  166   HH21  ARG   5          HH21      ARG   5  -4.522   2.564  -8.628
  167   HH22  ARG   5          HH22      ARG   5  -3.071   2.891  -9.516
  168    H    ALA   6           HN       ALA   6  -7.033   3.482  -5.808
  169    HA   ALA   6           HA       ALA   6  -4.313   4.030  -6.040
  170    HB1  ALA   6           HB1      ALA   6  -5.032   6.291  -6.755
  171    HB2  ALA   6           HB2      ALA   6  -6.650   5.952  -6.140
  172    HB3  ALA   6           HB3      ALA   6  -6.012   5.027  -7.499
  173    H    GLN   7           HN       GLN   7  -6.704   5.406  -3.800
  174    HA   GLN   7           HA       GLN   7  -4.846   7.098  -2.445
  175    HB2  GLN   7           HB2      GLN   7  -7.348   7.315  -2.328
  176    HB3  GLN   7           HB1      GLN   7  -7.387   5.858  -1.338
  177    HG2  GLN   7           HG2      GLN   7  -7.436   7.832   0.105
  178    HG3  GLN   7           HG1      GLN   7  -5.909   6.973   0.325
  179   HE21  GLN   7          HE21      GLN   7  -4.265   8.489   0.539
  180   HE22  GLN   7          HE22      GLN   7  -4.109   9.896  -0.405
  181    H    LEU   8           HN       LEU   8  -5.966   3.788  -1.812
  182    HA   LEU   8           HA       LEU   8  -4.480   3.497   0.601
  183    HB2  LEU   8           HB2      LEU   8  -6.022   1.702  -1.224
  184    HB3  LEU   8           HB1      LEU   8  -4.869   0.929  -0.144
  185    HG   LEU   8           HG       LEU   8  -7.233   1.155   0.757
  186   HD11  LEU   8          HD11      LEU   8  -5.330   2.675   2.540
  187   HD12  LEU   8          HD12      LEU   8  -4.995   0.994   2.129
  188   HD13  LEU   8          HD13      LEU   8  -6.486   1.417   2.961
  189   HD21  LEU   8          HD21      LEU   8  -7.338   3.618  -0.196
  190   HD22  LEU   8          HD22      LEU   8  -6.583   4.048   1.334
  191   HD23  LEU   8          HD23      LEU   8  -8.148   3.239   1.321
  192    H    CYS   9           HN       CYS   9  -3.812   2.838  -2.746
  193    HA   CYS   9           HA       CYS   9  -1.455   1.359  -2.410
  194    HB2  CYS   9           HB2      CYS   9  -2.740   1.704  -4.570
  195    HB3  CYS   9           HB1      CYS   9  -2.012   3.307  -4.653
  196    H    THR  10           HN       THR  10  -2.063   4.840  -2.586
  197    HA   THR  10           HA       THR  10   0.636   5.714  -2.568
  198    HB   THR  10           HB       THR  10  -1.835   7.043  -1.484
  199    HG1  THR  10           HG1      THR  10  -1.175   8.200  -3.653
  200   HG21  THR  10          HG21      THR  10  -0.490   9.132  -1.896
  201   HG22  THR  10          HG22      THR  10   0.922   8.090  -2.082
  202   HG23  THR  10          HG23      THR  10   0.056   8.137  -0.547
  203    H    ALA  11           HN       ALA  11  -1.638   4.982   0.060
  204    HA   ALA  11           HA       ALA  11  -0.003   5.854   2.180
  205    HB1  ALA  11           HB1      ALA  11  -2.290   5.352   2.649
  206    HB2  ALA  11           HB2      ALA  11  -1.346   4.135   3.511
  207    HB3  ALA  11           HB3      ALA  11  -2.135   3.726   1.989
  208    H    ALA  12           HN       ALA  12  -0.270   2.677   0.578
  209    HA   ALA  12           HA       ALA  12   1.642   1.362   2.220
  210    HB1  ALA  12           HB1      ALA  12   1.781  -0.193   0.157
  211    HB2  ALA  12           HB2      ALA  12   0.514   0.821  -0.522
  212    HB3  ALA  12           HB3      ALA  12   0.228  -0.060   0.976
  213    H    GLU  13           HN       GLU  13   1.871   3.049  -0.901
  214    HA   GLU  13           HA       GLU  13   4.623   2.524  -1.339
  215    HB2  GLU  13           HB2      GLU  13   3.090   3.251  -3.122
  216    HB3  GLU  13           HB1      GLU  13   2.915   4.832  -2.341
  217    HG2  GLU  13           HG2      GLU  13   5.341   5.236  -2.614
  218    HG3  GLU  13           HG1      GLU  13   5.541   3.635  -3.326
  219    H    LYS  14           HN       LYS  14   2.917   5.264   0.112
  220    HA   LYS  14           HA       LYS  14   5.207   6.834   0.630
  221    HB2  LYS  14           HB2      LYS  14   2.943   7.769   0.610
  222    HB3  LYS  14           HB1      LYS  14   2.523   6.822   2.036
  223    HG2  LYS  14           HG2      LYS  14   4.307   7.993   3.324
  224    HG3  LYS  14           HG1      LYS  14   4.729   8.918   1.882
  225    HD2  LYS  14           HD2      LYS  14   2.463   9.884   1.842
  226    HD3  LYS  14           HD1      LYS  14   2.048   8.968   3.291
  227    HE2  LYS  14           HE2      LYS  14   3.853  10.122   4.532
  228    HE3  LYS  14           HE1      LYS  14   4.247  11.047   3.083
  229    HZ1  LYS  14           HZ1      LYS  14   2.019  11.335   4.913
  230    HZ2  LYS  14           HZ2      LYS  14   1.633  11.497   3.266
  231    HZ3  LYS  14           HZ3      LYS  14   2.807  12.504   3.970
  232    H    ALA  15           HN       ALA  15   3.443   4.452   2.569
  233    HA   ALA  15           HA       ALA  15   4.903   4.779   4.950
  234    HB1  ALA  15           HB1      ALA  15   3.972   2.635   5.605
  235    HB2  ALA  15           HB2      ALA  15   3.589   2.252   3.929
  236    HB3  ALA  15           HB3      ALA  15   2.735   3.557   4.753
  237    H    ASP  16           HN       ASP  16   5.429   2.757   2.129
  238    HA   ASP  16           HA       ASP  16   7.555   1.207   3.127
  239    HB2  ASP  16           HB2      ASP  16   6.351   0.670   1.039
  240    HB3  ASP  16           HB1      ASP  16   7.058   2.095   0.276
  241    H    GLU  17           HN       GLU  17   7.511   4.342   1.446
  242    HA   GLU  17           HA       GLU  17  10.294   4.652   1.198
  243    HB2  GLU  17           HB2      GLU  17   8.630   6.025  -0.023
  244    HB3  GLU  17           HB1      GLU  17   8.167   6.791   1.499
  245    HG2  GLU  17           HG2      GLU  17  10.444   7.631   1.792
  246    HG3  GLU  17           HG1      GLU  17  10.951   6.838   0.301
  247    H    LEU  18           HN       LEU  18   8.018   5.508   3.770
  248    HA   LEU  18           HA       LEU  18   9.802   6.973   5.378
  249    HB2  LEU  18           HB2      LEU  18   7.355   5.366   6.087
  250    HB3  LEU  18           HB1      LEU  18   8.222   6.385   7.239
  251    HG   LEU  18           HG       LEU  18   7.079   7.364   4.604
  252   HD11  LEU  18          HD11      LEU  18   5.371   6.618   6.293
  253   HD12  LEU  18          HD12      LEU  18   5.279   8.326   5.872
  254   HD13  LEU  18          HD13      LEU  18   6.019   7.831   7.391
  255   HD21  LEU  18          HD21      LEU  18   7.366   9.607   6.048
  256   HD22  LEU  18          HD22      LEU  18   8.696   8.955   5.101
  257   HD23  LEU  18          HD23      LEU  18   8.629   8.655   6.837
  258    H    GLY  19           HN       GLY  19   9.046   3.533   5.268
  259    HA2  GLY  19           HA2      GLY  19  10.940   1.992   5.656
  260    HA3  GLY  19           HA1      GLY  19  11.394   3.010   7.022
  261   HB11  B74 100          HB11      0AA 100   1.447  -2.062  -1.191
  262   HB12  B74 100          HB12      0AA 100   2.750  -3.127  -1.727
  263    HG   B74 100           HG       0AA 100  -0.214  -1.188  -2.697
  264    HE1  B74 100           HE1      0AA 100   3.122  -3.531  -4.063
  265    HE2  B74 100           HE2      0AA 100   0.985  -0.992  -6.816
  266    HZ   B74 100           HZ       0AA 100   2.856  -2.565  -6.343
  267   HB21  B74 100          HB21      0AA 100  -1.720  -0.299  -4.369
  268   HB22  B74 100          HB22      0AA 100  -1.322  -0.335  -6.090
  Start of MODEL    5
    1    H1   SER   1           HN       SER   1   8.233   2.614   5.467
    2    HA   SER   1           HA       SER   1   8.242   1.147   8.029
    3    HB2  SER   1           HB2      SER   1   5.850   1.578   8.272
    4    HB3  SER   1           HB1      SER   1   6.757   3.085   8.267
    5    HG   SER   1           HG       SER   1   4.817   2.939   6.882
    6    HA   PRO   2           HA       PRO   2   7.585  -1.461   4.151
    7    HB2  PRO   2           HB2      PRO   2   8.984  -3.654   5.181
    8    HB3  PRO   2           HB1      PRO   2   9.697  -2.386   4.160
    9    HG2  PRO   2           HG2      PRO   2   9.732  -2.663   7.136
   10    HG3  PRO   2           HG1      PRO   2  11.034  -2.170   6.034
   11    HD2  PRO   2           HD2      PRO   2   9.703  -0.354   7.465
   12    HD3  PRO   2           HD1      PRO   2  10.184   0.001   5.793
   13    H    GLU   3           HN       GLU   3   7.309  -2.237   7.590
   14    HA   GLU   3           HA       GLU   3   5.554  -4.467   7.297
   15    HB2  GLU   3           HB2      GLU   3   6.072  -2.542   9.573
   16    HB3  GLU   3           HB1      GLU   3   5.030  -3.965   9.711
   17    HG2  GLU   3           HG2      GLU   3   6.843  -5.443   9.172
   18    HG3  GLU   3           HG1      GLU   3   7.895  -4.089   8.751
   19    H    GLU   4           HN       GLU   4   5.053  -0.984   7.740
   20    HA   GLU   4           HA       GLU   4   2.222  -1.145   7.950
   21    HB2  GLU   4           HB2      GLU   4   3.516   0.830   8.679
   22    HB3  GLU   4           HB1      GLU   4   3.951   1.153   7.000
   23    HG2  GLU   4           HG2      GLU   4   1.619   1.456   6.403
   24    HG3  GLU   4           HG1      GLU   4   1.109   1.017   8.033
   25    H    ARG   5           HN       ARG   5   4.471  -0.671   5.273
   26    HA   ARG   5           HA       ARG   5   2.583  -0.253   3.236
   27    HB2  ARG   5           HB2      ARG   5   4.809   0.299   2.725
   28    HB3  ARG   5           HB1      ARG   5   5.422  -1.251   3.290
   29    HG2  ARG   5           HG2      ARG   5   3.471  -1.405   1.024
   30    HG3  ARG   5           HG1      ARG   5   5.005  -0.659   0.643
   31    HD2  ARG   5           HD2      ARG   5   6.216  -2.618   1.511
   32    HD3  ARG   5           HD1      ARG   5   4.695  -3.387   1.931
   33    HE   ARG   5           HE       ARG   5   4.705  -2.673  -0.826
   34   HH11  ARG   5          HH11      ARG   5   4.984  -4.354  -2.343
   35   HH12  ARG   5          HH12      ARG   5   5.644  -5.871  -1.828
   36   HH21  ARG   5          HH21      ARG   5   6.006  -4.897   1.480
   37   HH22  ARG   5          HH22      ARG   5   6.222  -6.177   0.334
   38    H    ALA   6           HN       ALA   6   4.072  -3.239   4.487
   39    HA   ALA   6           HA       ALA   6   3.028  -4.991   2.576
   40    HB1  ALA   6           HB1      ALA   6   4.702  -5.800   4.067
   41    HB2  ALA   6           HB2      ALA   6   3.240  -6.711   4.441
   42    HB3  ALA   6           HB3      ALA   6   3.740  -5.382   5.485
   43    H    GLN   7           HN       GLN   7   1.641  -3.910   5.674
   44    HA   GLN   7           HA       GLN   7  -0.736  -5.491   5.455
   45    HB2  GLN   7           HB2      GLN   7  -0.150  -2.915   6.953
   46    HB3  GLN   7           HB1      GLN   7  -1.623  -3.864   7.155
   47    HG2  GLN   7           HG2      GLN   7   1.185  -4.918   7.603
   48    HG3  GLN   7           HG1      GLN   7   0.098  -4.386   8.885
   49   HE21  GLN   7          HE21      GLN   7   1.191  -7.163   7.503
   50   HE22  GLN   7          HE22      GLN   7  -0.181  -8.152   7.700
   51    H    LEU   8           HN       LEU   8   0.064  -2.161   4.501
   52    HA   LEU   8           HA       LEU   8  -2.531  -1.481   3.584
   53    HB2  LEU   8           HB2      LEU   8   0.179  -0.358   2.928
   54    HB3  LEU   8           HB1      LEU   8  -1.328   0.322   2.319
   55    HG   LEU   8           HG       LEU   8  -0.742  -0.108   5.264
   56   HD11  LEU   8          HD11      LEU   8  -0.592   2.424   3.619
   57   HD12  LEU   8          HD12      LEU   8   0.801   1.518   4.208
   58   HD13  LEU   8          HD13      LEU   8  -0.298   2.293   5.351
   59   HD21  LEU   8          HD21      LEU   8  -3.033   1.058   3.691
   60   HD22  LEU   8          HD22      LEU   8  -2.633   1.794   5.241
   61   HD23  LEU   8          HD23      LEU   8  -3.066   0.091   5.163
   62    H    CYS   9           HN       CYS   9   0.279  -2.918   2.002
   63    HA   CYS   9           HA       CYS   9  -0.603  -2.796  -0.652
   64    HB2  CYS   9           HB2      CYS   9   1.486  -4.132   0.841
   65    HB3  CYS   9           HB1      CYS   9   0.816  -5.249  -0.334
   66    H    THR  10           HN       THR  10  -1.206  -5.186   1.882
   67    HA   THR  10           HA       THR  10  -2.679  -7.033   0.323
   68    HB   THR  10           HB       THR  10  -2.866  -6.357   3.249
   69    HG1  THR  10           HG1      THR  10  -1.382  -8.252   1.776
   70   HG21  THR  10          HG21      THR  10  -4.839  -7.563   2.667
   71   HG22  THR  10          HG22      THR  10  -3.736  -8.724   3.400
   72   HG23  THR  10          HG23      THR  10  -3.931  -8.678   1.647
   73    H    ALA  11           HN       ALA  11  -3.679  -4.219   2.269
   74    HA   ALA  11           HA       ALA  11  -6.450  -4.532   1.841
   75    HB1  ALA  11           HB1      ALA  11  -5.020  -1.884   2.120
   76    HB2  ALA  11           HB2      ALA  11  -5.310  -2.959   3.487
   77    HB3  ALA  11           HB3      ALA  11  -6.672  -2.278   2.598
   78    H    ALA  12           HN       ALA  12  -3.976  -2.706   0.032
   79    HA   ALA  12           HA       ALA  12  -5.763  -1.681  -1.923
   80    HB1  ALA  12           HB1      ALA  12  -3.871  -0.853  -3.000
   81    HB2  ALA  12           HB2      ALA  12  -2.883  -2.250  -2.567
   82    HB3  ALA  12           HB3      ALA  12  -3.271  -1.036  -1.352
   83    H    GLU  13           HN       GLU  13  -3.666  -4.535  -1.846
   84    HA   GLU  13           HA       GLU  13  -4.258  -5.457  -4.451
   85    HB2  GLU  13           HB2      GLU  13  -2.295  -6.201  -3.161
   86    HB3  GLU  13           HB1      GLU  13  -3.359  -7.024  -2.006
   87    HG2  GLU  13           HG2      GLU  13  -4.208  -8.472  -3.808
   88    HG3  GLU  13           HG1      GLU  13  -3.229  -7.611  -4.993
   89    H    LYS  14           HN       LYS  14  -5.613  -6.233  -1.284
   90    HA   LYS  14           HA       LYS  14  -7.415  -8.201  -2.178
   91    HB2  LYS  14           HB2      LYS  14  -6.706  -7.928   0.181
   92    HB3  LYS  14           HB1      LYS  14  -7.589  -6.410   0.261
   93    HG2  LYS  14           HG2      LYS  14  -9.025  -8.077   1.229
   94    HG3  LYS  14           HG1      LYS  14  -9.684  -7.752  -0.373
   95    HD2  LYS  14           HD2      LYS  14  -8.664  -9.759  -1.273
   96    HD3  LYS  14           HD1      LYS  14  -7.759 -10.024   0.215
   97    HE2  LYS  14           HE2      LYS  14  -9.924 -10.307   1.415
   98    HE3  LYS  14           HE1      LYS  14 -10.765 -10.136  -0.128
   99    HZ1  LYS  14           HZ1      LYS  14  -9.982 -12.127  -0.887
  100    HZ2  LYS  14           HZ2      LYS  14 -10.097 -12.478   0.771
  101    HZ3  LYS  14           HZ3      LYS  14  -8.591 -12.091   0.085
  102    H    ALA  15           HN       ALA  15  -7.702  -4.710  -1.711
  103    HA   ALA  15           HA       ALA  15 -10.464  -4.477  -2.154
  104    HB1  ALA  15           HB1      ALA  15  -9.919  -2.110  -2.758
  105    HB2  ALA  15           HB2      ALA  15  -8.211  -2.534  -2.721
  106    HB3  ALA  15           HB3      ALA  15  -9.175  -2.626  -1.247
  107    H    ASP  16           HN       ASP  16  -7.734  -4.506  -4.387
  108    HA   ASP  16           HA       ASP  16  -9.179  -3.891  -6.739
  109    HB2  ASP  16           HB2      ASP  16  -6.722  -3.832  -6.602
  110    HB3  ASP  16           HB1      ASP  16  -6.689  -5.585  -6.439
  111    H    GLU  17           HN       GLU  17  -8.415  -6.940  -5.122
  112    HA   GLU  17           HA       GLU  17  -9.461  -8.681  -7.078
  113    HB2  GLU  17           HB2      GLU  17  -9.139  -8.971  -4.085
  114    HB3  GLU  17           HB1      GLU  17  -9.660 -10.289  -5.134
  115    HG2  GLU  17           HG2      GLU  17  -7.590 -10.106  -6.435
  116    HG3  GLU  17           HG1      GLU  17  -7.074  -8.740  -5.448
  117    H    LEU  18           HN       LEU  18 -10.956  -7.064  -4.305
  118    HA   LEU  18           HA       LEU  18 -13.473  -8.333  -4.461
  119    HB2  LEU  18           HB2      LEU  18 -12.666  -5.636  -3.390
  120    HB3  LEU  18           HB1      LEU  18 -14.278  -6.323  -3.203
  121    HG   LEU  18           HG       LEU  18 -11.727  -7.683  -2.287
  122   HD11  LEU  18          HD11      LEU  18 -12.518  -7.047  -0.012
  123   HD12  LEU  18          HD12      LEU  18 -13.794  -6.090  -0.763
  124   HD13  LEU  18          HD13      LEU  18 -12.107  -5.652  -1.007
  125   HD21  LEU  18          HD21      LEU  18 -13.237  -9.437  -2.449
  126   HD22  LEU  18          HD22      LEU  18 -14.645  -8.399  -2.234
  127   HD23  LEU  18          HD23      LEU  18 -13.664  -8.856  -0.844
  128    H    GLY  19           HN       GLY  19 -12.196  -5.397  -5.968
  129    HA2  GLY  19           HA2      GLY  19 -12.977  -4.987  -8.297
  130    HA3  GLY  19           HA1      GLY  19 -14.608  -5.287  -7.706
  131    H1   SER   1           HN       SER   1 -11.893  -3.326  -6.434
  132    HA   SER   1           HA       SER   1 -13.536  -0.895  -6.711
  133    HB2  SER   1           HB2      SER   1 -12.950  -0.220  -4.436
  134    HB3  SER   1           HB1      SER   1 -13.861  -1.725  -4.428
  135    HG   SER   1           HG       SER   1 -11.890  -1.627  -3.101
  136    HA   PRO   2           HA       PRO   2  -9.058  -0.589  -8.163
  137    HB2  PRO   2           HB2      PRO   2  -9.674   1.136 -10.278
  138    HB3  PRO   2           HB1      PRO   2  -9.566  -0.632 -10.411
  139    HG2  PRO   2           HG2      PRO   2 -11.977   1.096 -10.069
  140    HG3  PRO   2           HG1      PRO   2 -11.751  -0.332 -11.098
  141    HD2  PRO   2           HD2      PRO   2 -13.096  -0.504  -8.795
  142    HD3  PRO   2           HD1      PRO   2 -12.030  -1.825  -9.315
  143    H    GLU   3           HN       GLU   3 -11.553   1.881  -7.736
  144    HA   GLU   3           HA       GLU   3  -9.790   4.101  -7.438
  145    HB2  GLU   3           HB2      GLU   3 -12.620   3.582  -6.498
  146    HB3  GLU   3           HB1      GLU   3 -11.798   5.138  -6.321
  147    HG2  GLU   3           HG2      GLU   3 -11.519   5.348  -8.697
  148    HG3  GLU   3           HG1      GLU   3 -12.082   3.697  -8.966
  149    H    GLU   4           HN       GLU   4 -11.242   1.794  -5.171
  150    HA   GLU   4           HA       GLU   4 -10.241   3.058  -2.829
  151    HB2  GLU   4           HB2      GLU   4 -12.090   1.421  -2.784
  152    HB3  GLU   4           HB1      GLU   4 -10.966   0.154  -3.282
  153    HG2  GLU   4           HG2      GLU   4  -9.648   0.465  -1.269
  154    HG3  GLU   4           HG1      GLU   4 -10.657   1.825  -0.776
  155    H    ARG   5           HN       ARG   5  -9.046   0.500  -4.950
  156    HA   ARG   5           HA       ARG   5  -6.737  -0.171  -3.498
  157    HB2  ARG   5           HB2      ARG   5  -7.394  -1.679  -5.176
  158    HB3  ARG   5           HB1      ARG   5  -7.545  -0.409  -6.387
  159    HG2  ARG   5           HG2      ARG   5  -4.809  -0.728  -5.217
  160    HG3  ARG   5           HG1      ARG   5  -5.369  -2.070  -6.192
  161    HD2  ARG   5           HD2      ARG   5  -5.864  -0.545  -8.065
  162    HD3  ARG   5           HD1      ARG   5  -5.327   0.824  -7.105
  163    HE   ARG   5           HE       ARG   5  -3.283  -1.157  -7.230
  164   HH11  ARG   5          HH11      ARG   5  -1.488  -0.718  -8.564
  165   HH12  ARG   5          HH12      ARG   5  -1.615   0.487  -9.802
  166   HH21  ARG   5          HH21      ARG   5  -4.909   1.280  -9.066
  167   HH22  ARG   5          HH22      ARG   5  -3.551   1.616 -10.086
  168    H    ALA   6           HN       ALA   6  -7.296   2.246  -6.050
  169    HA   ALA   6           HA       ALA   6  -4.635   3.025  -6.417
  170    HB1  ALA   6           HB1      ALA   6  -6.278   3.802  -7.963
  171    HB2  ALA   6           HB2      ALA   6  -5.668   5.236  -7.136
  172    HB3  ALA   6           HB3      ALA   6  -7.227   4.553  -6.679
  173    H    GLN   7           HN       GLN   7  -7.077   4.259  -4.147
  174    HA   GLN   7           HA       GLN   7  -5.375   6.246  -2.981
  175    HB2  GLN   7           HB2      GLN   7  -7.817   4.796  -1.910
  176    HB3  GLN   7           HB1      GLN   7  -7.054   6.169  -1.112
  177    HG2  GLN   7           HG2      GLN   7  -8.155   6.207  -3.937
  178    HG3  GLN   7           HG1      GLN   7  -8.998   6.842  -2.524
  179   HE21  GLN   7          HE21      GLN   7  -7.257   7.911  -5.095
  180   HE22  GLN   7          HE22      GLN   7  -6.510   9.275  -4.401
  181    H    LEU   8           HN       LEU   8  -6.095   2.862  -2.156
  182    HA   LEU   8           HA       LEU   8  -4.564   2.831   0.238
  183    HB2  LEU   8           HB2      LEU   8  -5.493   0.622  -1.580
  184    HB3  LEU   8           HB1      LEU   8  -4.633   0.339  -0.068
  185    HG   LEU   8           HG       LEU   8  -7.191   1.953  -0.274
  186   HD11  LEU   8          HD11      LEU   8  -6.784  -0.909   0.607
  187   HD12  LEU   8          HD12      LEU   8  -7.498  -0.418  -0.926
  188   HD13  LEU   8          HD13      LEU   8  -8.314  -0.035   0.590
  189   HD21  LEU   8          HD21      LEU   8  -5.379   1.097   1.977
  190   HD22  LEU   8          HD22      LEU   8  -7.114   1.149   2.287
  191   HD23  LEU   8          HD23      LEU   8  -6.270   2.603   1.769
  192    H    CYS   9           HN       CYS   9  -3.817   2.145  -3.135
  193    HA   CYS   9           HA       CYS   9  -1.297   0.963  -2.801
  194    HB2  CYS   9           HB2      CYS   9  -2.768   1.346  -4.951
  195    HB3  CYS   9           HB1      CYS   9  -1.835   2.829  -5.095
  196    H    THR  10           HN       THR  10  -2.268   4.353  -3.049
  197    HA   THR  10           HA       THR  10   0.312   5.514  -3.027
  198    HB   THR  10           HB       THR  10  -2.319   6.566  -2.017
  199    HG1  THR  10           HG1      THR  10  -0.963   6.753  -4.486
  200   HG21  THR  10          HG21      THR  10  -0.617   7.924  -1.062
  201   HG22  THR  10          HG22      THR  10  -1.214   8.799  -2.470
  202   HG23  THR  10          HG23      THR  10   0.317   7.924  -2.559
  203    H    ALA  11           HN       ALA  11  -1.956   4.696  -0.403
  204    HA   ALA  11           HA       ALA  11  -0.370   5.733   1.688
  205    HB1  ALA  11           HB1      ALA  11  -2.167   3.309   1.886
  206    HB2  ALA  11           HB2      ALA  11  -2.786   4.960   1.841
  207    HB3  ALA  11           HB3      ALA  11  -1.743   4.445   3.167
  208    H    ALA  12           HN       ALA  12  -0.527   2.482   0.226
  209    HA   ALA  12           HA       ALA  12   1.449   1.327   1.907
  210    HB1  ALA  12           HB1      ALA  12   1.297  -0.555   0.537
  211    HB2  ALA  12           HB2      ALA  12   1.027   0.400  -0.923
  212    HB3  ALA  12           HB3      ALA  12  -0.267   0.208   0.255
  213    H    GLU  13           HN       GLU  13   1.586   2.824  -1.299
  214    HA   GLU  13           HA       GLU  13   4.351   2.409  -1.737
  215    HB2  GLU  13           HB2      GLU  13   2.751   2.932  -3.538
  216    HB3  GLU  13           HB1      GLU  13   2.515   4.555  -2.862
  217    HG2  GLU  13           HG2      GLU  13   4.910   5.049  -3.206
  218    HG3  GLU  13           HG1      GLU  13   5.177   3.418  -3.814
  219    H    LYS  14           HN       LYS  14   2.519   5.130  -0.431
  220    HA   LYS  14           HA       LYS  14   4.710   6.862  -0.073
  221    HB2  LYS  14           HB2      LYS  14   2.342   7.595  -0.114
  222    HB3  LYS  14           HB1      LYS  14   2.073   6.779   1.419
  223    HG2  LYS  14           HG2      LYS  14   2.440   9.095   1.945
  224    HG3  LYS  14           HG1      LYS  14   3.931   8.263   2.383
  225    HD2  LYS  14           HD2      LYS  14   5.016   8.992   0.340
  226    HD3  LYS  14           HD1      LYS  14   3.502   9.627  -0.294
  227    HE2  LYS  14           HE2      LYS  14   3.456  11.255   1.590
  228    HE3  LYS  14           HE1      LYS  14   5.024  10.640   2.119
  229    HZ1  LYS  14           HZ1      LYS  14   6.085  11.511   0.311
  230    HZ2  LYS  14           HZ2      LYS  14   4.868  12.677   0.519
  231    HZ3  LYS  14           HZ3      LYS  14   4.703  11.476  -0.673
  232    H    ALA  15           HN       ALA  15   3.148   4.489   2.027
  233    HA   ALA  15           HA       ALA  15   4.532   5.080   4.397
  234    HB1  ALA  15           HB1      ALA  15   3.950   2.727   5.029
  235    HB2  ALA  15           HB2      ALA  15   3.399   2.462   3.379
  236    HB3  ALA  15           HB3      ALA  15   2.576   3.635   4.405
  237    H    ASP  16           HN       ASP  16   5.342   2.975   1.684
  238    HA   ASP  16           HA       ASP  16   7.669   1.820   2.807
  239    HB2  ASP  16           HB2      ASP  16   6.561   0.950   0.788
  240    HB3  ASP  16           HB1      ASP  16   7.055   2.385  -0.102
  241    H    GLU  17           HN       GLU  17   7.119   4.743   0.895
  242    HA   GLU  17           HA       GLU  17   9.816   5.487   0.549
  243    HB2  GLU  17           HB2      GLU  17   7.273   7.119   0.657
  244    HB3  GLU  17           HB1      GLU  17   8.844   7.803   0.241
  245    HG2  GLU  17           HG2      GLU  17   9.053   6.247  -1.641
  246    HG3  GLU  17           HG1      GLU  17   7.518   5.493  -1.207
  247    H    LEU  18           HN       LEU  18   7.481   6.184   3.119
  248    HA   LEU  18           HA       LEU  18   9.072   8.013   4.566
  249    HB2  LEU  18           HB2      LEU  18   6.864   6.162   5.445
  250    HB3  LEU  18           HB1      LEU  18   7.595   7.380   6.487
  251    HG   LEU  18           HG       LEU  18   6.313   7.979   3.803
  252   HD11  LEU  18          HD11      LEU  18   4.471   8.921   5.181
  253   HD12  LEU  18          HD12      LEU  18   5.259   8.277   6.620
  254   HD13  LEU  18          HD13      LEU  18   4.647   7.179   5.387
  255   HD21  LEU  18          HD21      LEU  18   7.693   9.812   4.163
  256   HD22  LEU  18          HD22      LEU  18   7.677   9.627   5.916
  257   HD23  LEU  18          HD23      LEU  18   6.290  10.333   5.090
  258    H    GLY  19           HN       GLY  19   8.769   4.491   4.721
  259    HA2  GLY  19           HA2      GLY  19  10.893   3.277   5.181
  260    HA3  GLY  19           HA1      GLY  19  11.145   4.406   6.508
  261   HB11  B74 100          HB11      0AA 100   1.904  -5.142  -2.961
  262   HB12  B74 100          HB12      0AA 100   0.244  -4.705  -2.544
  263    HG   B74 100           HG       0AA 100  -0.055  -1.886  -3.108
  264    HE1  B74 100           HE1      0AA 100   2.503  -4.635  -5.187
  265    HE2  B74 100           HE2      0AA 100   0.139  -1.793  -7.393
  266    HZ   B74 100           HZ       0AA 100   1.856  -3.591  -7.347
  267   HB21  B74 100          HB21      0AA 100  -1.832  -0.790  -4.402
  268   HB22  B74 100          HB22      0AA 100  -1.856  -0.887  -6.166
  Start of MODEL    6
    1    H1   SER   1           HN       SER   1   9.209   1.168   6.979
    2    HA   SER   1           HA       SER   1   9.135  -0.716   9.257
    3    HB2  SER   1           HB2      SER   1   6.908   1.178   8.471
    4    HB3  SER   1           HB1      SER   1   6.793  -0.091   9.688
    5    HG   SER   1           HG       SER   1   8.976   1.431  10.101
    6    HA   PRO   2           HA       PRO   2   8.154  -2.669   5.117
    7    HB2  PRO   2           HB2      PRO   2   9.417  -4.911   6.663
    8    HB3  PRO   2           HB1      PRO   2   9.664  -4.429   4.972
    9    HG2  PRO   2           HG2      PRO   2  11.492  -3.879   6.807
   10    HG3  PRO   2           HG1      PRO   2  11.102  -2.700   5.537
   11    HD2  PRO   2           HD2      PRO   2  10.281  -2.695   8.430
   12    HD3  PRO   2           HD1      PRO   2  10.722  -1.327   7.381
   13    H    GLU   3           HN       GLU   3   7.773  -3.870   8.443
   14    HA   GLU   3           HA       GLU   3   5.724  -5.754   7.903
   15    HB2  GLU   3           HB2      GLU   3   6.500  -4.247  10.413
   16    HB3  GLU   3           HB1      GLU   3   5.260  -5.506  10.380
   17    HG2  GLU   3           HG2      GLU   3   6.830  -7.161   9.670
   18    HG3  GLU   3           HG1      GLU   3   8.065  -5.942   9.340
   19    H    GLU   4           HN       GLU   4   5.671  -2.326   8.810
   20    HA   GLU   4           HA       GLU   4   2.857  -2.120   9.074
   21    HB2  GLU   4           HB2      GLU   4   4.411  -0.428   9.970
   22    HB3  GLU   4           HB1      GLU   4   4.872   0.017   8.326
   23    HG2  GLU   4           HG2      GLU   4   2.597   0.706   7.829
   24    HG3  GLU   4           HG1      GLU   4   2.046   0.161   9.412
   25    H    ARG   5           HN       ARG   5   5.082  -1.698   6.367
   26    HA   ARG   5           HA       ARG   5   3.193  -0.785   4.492
   27    HB2  ARG   5           HB2      ARG   5   5.455  -0.515   3.906
   28    HB3  ARG   5           HB1      ARG   5   5.844  -2.193   4.267
   29    HG2  ARG   5           HG2      ARG   5   3.786  -1.821   2.134
   30    HG3  ARG   5           HG1      ARG   5   5.379  -1.233   1.727
   31    HD2  ARG   5           HD2      ARG   5   6.371  -3.408   2.279
   32    HD3  ARG   5           HD1      ARG   5   4.804  -4.018   2.772
   33    HE   ARG   5           HE       ARG   5   4.221  -4.255   0.527
   34   HH11  ARG   5          HH11      ARG   5   4.712  -4.233  -1.683
   35   HH12  ARG   5          HH12      ARG   5   6.120  -3.396  -2.244
   36   HH21  ARG   5          HH21      ARG   5   7.069  -2.341   0.922
   37   HH22  ARG   5          HH22      ARG   5   7.458  -2.321  -0.766
   38    H    ALA   6           HN       ALA   6   4.314  -4.061   5.305
   39    HA   ALA   6           HA       ALA   6   2.870  -5.423   3.324
   40    HB1  ALA   6           HB1      ALA   6   3.803  -6.270   6.070
   41    HB2  ALA   6           HB2      ALA   6   4.584  -6.584   4.521
   42    HB3  ALA   6           HB3      ALA   6   3.063  -7.383   4.918
   43    H    GLN   7           HN       GLN   7   1.979  -4.514   6.626
   44    HA   GLN   7           HA       GLN   7  -0.530  -5.813   6.655
   45    HB2  GLN   7           HB2      GLN   7   0.792  -4.792   8.627
   46    HB3  GLN   7           HB1      GLN   7   0.068  -3.258   8.149
   47    HG2  GLN   7           HG2      GLN   7  -1.548  -5.760   8.720
   48    HG3  GLN   7           HG1      GLN   7  -1.214  -4.516   9.922
   49   HE21  GLN   7          HE21      GLN   7  -3.836  -5.336   8.592
   50   HE22  GLN   7          HE22      GLN   7  -4.454  -3.883   7.952
   51    H    LEU   8           HN       LEU   8   0.487  -2.594   5.613
   52    HA   LEU   8           HA       LEU   8  -2.219  -1.768   4.999
   53    HB2  LEU   8           HB2      LEU   8   0.497  -0.539   4.820
   54    HB3  LEU   8           HB1      LEU   8  -0.758   0.116   3.770
   55    HG   LEU   8           HG       LEU   8  -2.222   0.293   5.873
   56   HD11  LEU   8          HD11      LEU   8  -0.701  -1.253   7.198
   57   HD12  LEU   8          HD12      LEU   8  -1.144   0.242   8.010
   58   HD13  LEU   8          HD13      LEU   8   0.447   0.073   7.274
   59   HD21  LEU   8          HD21      LEU   8  -1.200   2.235   4.834
   60   HD22  LEU   8          HD22      LEU   8   0.326   1.909   5.654
   61   HD23  LEU   8          HD23      LEU   8  -1.093   2.384   6.587
   62    H    CYS   9           HN       CYS   9   0.357  -3.396   3.391
   63    HA   CYS   9           HA       CYS   9  -0.237  -2.775   0.717
   64    HB2  CYS   9           HB2      CYS   9   1.811  -3.975   1.552
   65    HB3  CYS   9           HB1      CYS   9   0.815  -5.417   1.739
   66    H    THR  10           HN       THR  10  -1.418  -5.429   2.789
   67    HA   THR  10           HA       THR  10  -3.034  -6.670   0.820
   68    HB   THR  10           HB       THR  10  -2.356  -7.562   3.133
   69    HG1  THR  10           HG1      THR  10  -3.739  -8.742   1.895
   70   HG21  THR  10          HG21      THR  10  -4.938  -6.288   4.023
   71   HG22  THR  10          HG22      THR  10  -3.404  -5.454   4.230
   72   HG23  THR  10          HG23      THR  10  -3.666  -7.009   5.012
   73    H    ALA  11           HN       ALA  11  -3.654  -4.019   3.065
   74    HA   ALA  11           HA       ALA  11  -6.433  -3.818   2.654
   75    HB1  ALA  11           HB1      ALA  11  -4.557  -1.498   3.141
   76    HB2  ALA  11           HB2      ALA  11  -5.049  -2.620   4.409
   77    HB3  ALA  11           HB3      ALA  11  -6.256  -1.624   3.598
   78    H    ALA  12           HN       ALA  12  -3.707  -2.288   0.948
   79    HA   ALA  12           HA       ALA  12  -5.326  -0.801  -0.862
   80    HB1  ALA  12           HB1      ALA  12  -2.837  -0.475  -0.273
   81    HB2  ALA  12           HB2      ALA  12  -3.310  -0.250  -1.956
   82    HB3  ALA  12           HB3      ALA  12  -2.526  -1.747  -1.454
   83    H    GLU  13           HN       GLU  13  -3.651  -3.925  -1.117
   84    HA   GLU  13           HA       GLU  13  -4.420  -4.462  -3.795
   85    HB2  GLU  13           HB2      GLU  13  -2.543  -5.609  -2.671
   86    HB3  GLU  13           HB1      GLU  13  -3.689  -6.420  -1.597
   87    HG2  GLU  13           HG2      GLU  13  -4.767  -7.490  -3.529
   88    HG3  GLU  13           HG1      GLU  13  -3.679  -6.641  -4.625
   89    H    LYS  14           HN       LYS  14  -5.819  -5.320  -0.673
   90    HA   LYS  14           HA       LYS  14  -7.890  -6.973  -1.635
   91    HB2  LYS  14           HB2      LYS  14  -7.214  -6.912   0.730
   92    HB3  LYS  14           HB1      LYS  14  -7.813  -5.262   0.868
   93    HG2  LYS  14           HG2      LYS  14 -10.092  -6.037   0.294
   94    HG3  LYS  14           HG1      LYS  14  -9.488  -7.685   0.119
   95    HD2  LYS  14           HD2      LYS  14  -8.802  -7.681   2.489
   96    HD3  LYS  14           HD1      LYS  14  -9.417  -6.037   2.663
   97    HE2  LYS  14           HE2      LYS  14 -11.678  -6.811   2.060
   98    HE3  LYS  14           HE1      LYS  14 -11.069  -8.456   1.874
   99    HZ1  LYS  14           HZ1      LYS  14 -10.182  -7.790   4.321
  100    HZ2  LYS  14           HZ2      LYS  14 -11.615  -8.652   4.017
  101    HZ3  LYS  14           HZ3      LYS  14 -11.668  -6.973   4.274
  102    H    ALA  15           HN       ALA  15  -7.688  -3.479  -1.093
  103    HA   ALA  15           HA       ALA  15 -10.388  -2.862  -1.530
  104    HB1  ALA  15           HB1      ALA  15  -8.030  -1.138  -2.308
  105    HB2  ALA  15           HB2      ALA  15  -8.604  -1.307  -0.649
  106    HB3  ALA  15           HB3      ALA  15  -9.654  -0.600  -1.876
  107    H    ASP  16           HN       ASP  16  -7.687  -3.219  -3.772
  108    HA   ASP  16           HA       ASP  16  -9.046  -2.397  -6.114
  109    HB2  ASP  16           HB2      ASP  16  -6.605  -2.655  -6.001
  110    HB3  ASP  16           HB1      ASP  16  -6.791  -4.400  -5.848
  111    H    GLU  17           HN       GLU  17  -8.742  -5.536  -4.522
  112    HA   GLU  17           HA       GLU  17  -9.979  -7.107  -6.511
  113    HB2  GLU  17           HB2      GLU  17  -9.779  -7.456  -3.512
  114    HB3  GLU  17           HB1      GLU  17 -10.445  -8.681  -4.590
  115    HG2  GLU  17           HG2      GLU  17  -8.339  -8.782  -5.831
  116    HG3  GLU  17           HG1      GLU  17  -7.666  -7.497  -4.826
  117    H    LEU  18           HN       LEU  18 -11.286  -5.246  -3.806
  118    HA   LEU  18           HA       LEU  18 -13.947  -6.157  -3.957
  119    HB2  LEU  18           HB2      LEU  18 -12.777  -3.552  -3.006
  120    HB3  LEU  18           HB1      LEU  18 -14.483  -3.962  -2.837
  121    HG   LEU  18           HG       LEU  18 -12.211  -5.675  -1.785
  122   HD11  LEU  18          HD11      LEU  18 -12.491  -3.371  -0.714
  123   HD12  LEU  18          HD12      LEU  18 -12.590  -4.754   0.369
  124   HD13  LEU  18          HD13      LEU  18 -14.061  -3.937  -0.157
  125   HD21  LEU  18          HD21      LEU  18 -15.208  -5.885  -1.759
  126   HD22  LEU  18          HD22      LEU  18 -14.336  -6.435  -0.331
  127   HD23  LEU  18          HD23      LEU  18 -13.995  -7.158  -1.897
  128    H    GLY  19           HN       GLY  19 -12.275  -3.498  -5.577
  129    HA2  GLY  19           HA2      GLY  19 -13.019  -3.184  -7.959
  130    HA3  GLY  19           HA1      GLY  19 -14.656  -3.110  -7.314
  131    H1   SER   1           HN       SER   1 -11.700  -1.668  -5.957
  132    HA   SER   1           HA       SER   1 -12.714   1.023  -6.613
  133    HB2  SER   1           HB2      SER   1 -11.841   0.124  -3.857
  134    HB3  SER   1           HB1      SER   1 -12.261   1.772  -4.317
  135    HG   SER   1           HG       SER   1 -14.177   0.043  -5.092
  136    HA   PRO   2           HA       PRO   2  -8.182   0.290  -7.600
  137    HB2  PRO   2           HB2      PRO   2  -9.066   2.238  -9.708
  138    HB3  PRO   2           HB1      PRO   2  -8.023   0.809  -9.860
  139    HG2  PRO   2           HG2      PRO   2 -10.530   0.746 -10.717
  140    HG3  PRO   2           HG1      PRO   2  -9.817  -0.659  -9.897
  141    HD2  PRO   2           HD2      PRO   2 -11.769   1.358  -8.827
  142    HD3  PRO   2           HD1      PRO   2 -11.662  -0.389  -8.504
  143    H    GLU   3           HN       GLU   3 -10.150   3.252  -7.536
  144    HA   GLU   3           HA       GLU   3  -8.029   5.081  -7.114
  145    HB2  GLU   3           HB2      GLU   3 -10.983   5.199  -6.458
  146    HB3  GLU   3           HB1      GLU   3  -9.883   6.562  -6.226
  147    HG2  GLU   3           HG2      GLU   3  -9.357   6.653  -8.554
  148    HG3  GLU   3           HG1      GLU   3 -10.149   5.104  -8.862
  149    H    GLU   4           HN       GLU   4 -10.105   3.254  -4.897
  150    HA   GLU   4           HA       GLU   4  -9.107   4.417  -2.513
  151    HB2  GLU   4           HB2      GLU   4 -11.215   3.152  -2.583
  152    HB3  GLU   4           HB1      GLU   4 -10.322   1.676  -2.952
  153    HG2  GLU   4           HG2      GLU   4  -9.156   1.789  -0.831
  154    HG3  GLU   4           HG1      GLU   4  -9.886   3.351  -0.464
  155    H    ARG   5           HN       ARG   5  -8.154   1.612  -4.433
  156    HA   ARG   5           HA       ARG   5  -6.181   0.637  -2.678
  157    HB2  ARG   5           HB2      ARG   5  -6.864  -0.827  -4.387
  158    HB3  ARG   5           HB1      ARG   5  -6.652   0.390  -5.641
  159    HG2  ARG   5           HG2      ARG   5  -4.167  -0.285  -4.128
  160    HG3  ARG   5           HG1      ARG   5  -4.817  -1.589  -5.091
  161    HD2  ARG   5           HD2      ARG   5  -4.831  -0.168  -7.089
  162    HD3  ARG   5           HD1      ARG   5  -4.261   1.195  -6.147
  163    HE   ARG   5           HE       ARG   5  -2.118   0.277  -6.167
  164   HH11  ARG   5          HH11      ARG   5  -0.597  -1.245  -6.872
  165   HH12  ARG   5          HH12      ARG   5  -1.131  -2.741  -7.563
  166   HH21  ARG   5          HH21      ARG   5  -4.501  -1.999  -7.205
  167   HH22  ARG   5          HH22      ARG   5  -3.347  -3.169  -7.752
  168    H    ALA   6           HN       ALA   6  -6.010   2.926  -5.392
  169    HA   ALA   6           HA       ALA   6  -3.230   3.293  -5.367
  170    HB1  ALA   6           HB1      ALA   6  -5.478   5.132  -6.197
  171    HB2  ALA   6           HB2      ALA   6  -4.498   4.094  -7.232
  172    HB3  ALA   6           HB3      ALA   6  -3.774   5.504  -6.459
  173    H    GLN   7           HN       GLN   7  -5.807   4.971  -3.619
  174    HA   GLN   7           HA       GLN   7  -4.152   6.923  -2.413
  175    HB2  GLN   7           HB2      GLN   7  -6.728   6.854  -2.558
  176    HB3  GLN   7           HB1      GLN   7  -6.651   5.801  -1.147
  177    HG2  GLN   7           HG2      GLN   7  -5.332   8.529  -1.263
  178    HG3  GLN   7           HG1      GLN   7  -6.948   8.254  -0.619
  179   HE21  GLN   7          HE21      GLN   7  -4.353   9.080   0.774
  180   HE22  GLN   7          HE22      GLN   7  -4.180   7.950   2.036
  181    H    LEU   8           HN       LEU   8  -5.055   3.642  -1.484
  182    HA   LEU   8           HA       LEU   8  -3.700   3.845   1.079
  183    HB2  LEU   8           HB2      LEU   8  -5.314   1.778  -0.353
  184    HB3  LEU   8           HB1      LEU   8  -4.179   1.207   0.869
  185    HG   LEU   8           HG       LEU   8  -5.235   2.961   2.436
  186   HD11  LEU   8          HD11      LEU   8  -6.362   4.159   0.503
  187   HD12  LEU   8          HD12      LEU   8  -7.411   3.793   1.868
  188   HD13  LEU   8          HD13      LEU   8  -7.475   2.802   0.412
  189   HD21  LEU   8          HD21      LEU   8  -5.654   0.581   2.672
  190   HD22  LEU   8          HD22      LEU   8  -6.871   0.637   1.397
  191   HD23  LEU   8          HD23      LEU   8  -7.156   1.467   2.927
  192    H    CYS   9           HN       CYS   9  -2.926   2.964  -2.158
  193    HA   CYS   9           HA       CYS   9  -0.816   1.160  -1.706
  194    HB2  CYS   9           HB2      CYS   9  -1.903   1.692  -3.922
  195    HB3  CYS   9           HB1      CYS   9  -0.968   3.186  -3.942
  196    H    THR  10           HN       THR  10  -0.789   4.705  -2.086
  197    HA   THR  10           HA       THR  10   1.987   5.080  -1.804
  198    HB   THR  10           HB       THR  10   0.183   6.772  -2.522
  199    HG1  THR  10           HG1      THR  10   2.273   7.437  -2.321
  200   HG21  THR  10          HG21      THR  10   0.144   7.446   0.419
  201   HG22  THR  10          HG22      THR  10  -1.067   6.385  -0.291
  202   HG23  THR  10          HG23      THR  10  -0.915   8.046  -0.858
  203    H    ALA  11           HN       ALA  11  -0.597   4.819   0.590
  204    HA   ALA  11           HA       ALA  11   0.915   5.572   2.845
  205    HB1  ALA  11           HB1      ALA  11  -1.268   3.482   2.834
  206    HB2  ALA  11           HB2      ALA  11  -1.601   5.210   2.708
  207    HB3  ALA  11           HB3      ALA  11  -0.814   4.566   4.149
  208    H    ALA  12           HN       ALA  12   0.385   2.382   1.349
  209    HA   ALA  12           HA       ALA  12   1.948   0.936   3.237
  210    HB1  ALA  12           HB1      ALA  12   0.210   0.052   1.545
  211    HB2  ALA  12           HB2      ALA  12   1.657  -0.918   1.812
  212    HB3  ALA  12           HB3      ALA  12   1.528   0.095   0.374
  213    H    GLU  13           HN       GLU  13   2.657   2.262   0.019
  214    HA   GLU  13           HA       GLU  13   5.342   1.358  -0.095
  215    HB2  GLU  13           HB2      GLU  13   4.068   2.041  -2.093
  216    HB3  GLU  13           HB1      GLU  13   4.063   3.712  -1.516
  217    HG2  GLU  13           HG2      GLU  13   6.520   3.760  -1.590
  218    HG3  GLU  13           HG1      GLU  13   6.552   2.073  -2.101
  219    H    LYS  14           HN       LYS  14   3.865   4.375   0.975
  220    HA   LYS  14           HA       LYS  14   6.247   5.800   1.471
  221    HB2  LYS  14           HB2      LYS  14   4.038   6.878   1.335
  222    HB3  LYS  14           HB1      LYS  14   3.546   6.068   2.820
  223    HG2  LYS  14           HG2      LYS  14   5.358   7.206   4.054
  224    HG3  LYS  14           HG1      LYS  14   5.891   7.983   2.562
  225    HD2  LYS  14           HD2      LYS  14   3.705   9.114   2.374
  226    HD3  LYS  14           HD1      LYS  14   3.180   8.343   3.871
  227    HE2  LYS  14           HE2      LYS  14   5.002   9.454   5.097
  228    HE3  LYS  14           HE1      LYS  14   5.557  10.210   3.603
  229    HZ1  LYS  14           HZ1      LYS  14   2.948  10.862   3.644
  230    HZ2  LYS  14           HZ2      LYS  14   4.202  11.862   4.208
  231    HZ3  LYS  14           HZ3      LYS  14   3.326  10.896   5.298
  232    H    ALA  15           HN       ALA  15   4.316   3.617   3.481
  233    HA   ALA  15           HA       ALA  15   5.658   4.034   5.911
  234    HB1  ALA  15           HB1      ALA  15   4.474   1.418   4.962
  235    HB2  ALA  15           HB2      ALA  15   3.504   2.760   5.570
  236    HB3  ALA  15           HB3      ALA  15   4.667   1.963   6.629
  237    H    ASP  16           HN       ASP  16   6.326   1.855   3.219
  238    HA   ASP  16           HA       ASP  16   8.464   0.440   4.420
  239    HB2  ASP  16           HB2      ASP  16   7.355  -0.310   2.361
  240    HB3  ASP  16           HB1      ASP  16   8.026   1.066   1.491
  241    H    GLU  17           HN       GLU  17   8.339   3.436   2.552
  242    HA   GLU  17           HA       GLU  17  11.117   3.851   2.294
  243    HB2  GLU  17           HB2      GLU  17   8.793   5.786   2.366
  244    HB3  GLU  17           HB1      GLU  17  10.449   6.276   2.013
  245    HG2  GLU  17           HG2      GLU  17  10.528   4.748   0.104
  246    HG3  GLU  17           HG1      GLU  17   8.902   4.170   0.476
  247    H    LEU  18           HN       LEU  18   8.818   4.713   4.833
  248    HA   LEU  18           HA       LEU  18  10.529   6.344   6.366
  249    HB2  LEU  18           HB2      LEU  18   8.169   4.641   7.135
  250    HB3  LEU  18           HB1      LEU  18   8.991   5.715   8.266
  251    HG   LEU  18           HG       LEU  18   7.825   6.611   5.612
  252   HD11  LEU  18          HD11      LEU  18   6.162   5.776   7.364
  253   HD12  LEU  18          HD12      LEU  18   5.929   7.423   6.788
  254   HD13  LEU  18          HD13      LEU  18   6.684   7.135   8.354
  255   HD21  LEU  18          HD21      LEU  18   9.276   7.981   7.858
  256   HD22  LEU  18          HD22      LEU  18   7.979   8.867   7.061
  257   HD23  LEU  18          HD23      LEU  18   9.348   8.288   6.122
  258    H    GLY  19           HN       GLY  19   9.957   2.859   6.385
  259    HA2  GLY  19           HA2      GLY  19  12.060   1.543   6.809
  260    HA3  GLY  19           HA1      GLY  19  12.245   2.533   8.252
  261   HB11  B74 100          HB11      0AA 100   1.856  -2.602  -0.328
  262   HB12  B74 100          HB12      0AA 100   3.174  -3.632  -0.897
  263    HG   B74 100           HG       0AA 100   0.195  -1.689  -1.868
  264    HE1  B74 100           HE1      0AA 100   3.441  -4.150  -3.267
  265    HE2  B74 100           HE2      0AA 100   1.523  -1.380  -5.952
  266    HZ   B74 100           HZ       0AA 100   3.240  -3.130  -5.528
  267   HB21  B74 100          HB21      0AA 100  -1.058  -0.417  -3.423
  268   HB22  B74 100          HB22      0AA 100  -0.781  -0.574  -5.160
  Start of MODEL    7
    1    H1   SER   1           HN       SER   1   9.065   1.054   6.658
    2    HA   SER   1           HA       SER   1   8.720  -0.558   9.115
    3    HB2  SER   1           HB2      SER   1   6.478   0.297   9.336
    4    HB3  SER   1           HB1      SER   1   7.605   1.650   9.309
    5    HG   SER   1           HG       SER   1   7.110   1.952   7.130
    6    HA   PRO   2           HA       PRO   2   7.799  -2.869   5.118
    7    HB2  PRO   2           HB2      PRO   2   8.851  -5.280   6.039
    8    HB3  PRO   2           HB1      PRO   2   9.772  -4.058   5.136
    9    HG2  PRO   2           HG2      PRO   2   9.649  -4.531   8.085
   10    HG3  PRO   2           HG1      PRO   2  11.050  -4.166   7.058
   11    HD2  PRO   2           HD2      PRO   2   9.926  -2.264   8.559
   12    HD3  PRO   2           HD1      PRO   2  10.548  -1.882   6.941
   13    H    GLU   3           HN       GLU   3   7.344  -3.754   8.508
   14    HA   GLU   3           HA       GLU   3   5.287  -5.682   8.071
   15    HB2  GLU   3           HB2      GLU   3   6.048  -3.999  10.463
   16    HB3  GLU   3           HB1      GLU   3   4.800  -5.251  10.504
   17    HG2  GLU   3           HG2      GLU   3   6.384  -6.956   9.897
   18    HG3  GLU   3           HG1      GLU   3   7.632  -5.751   9.564
   19    H    GLU   4           HN       GLU   4   5.308  -2.193   8.684
   20    HA   GLU   4           HA       GLU   4   2.478  -1.942   8.883
   21    HB2  GLU   4           HB2      GLU   4   4.019  -0.221   9.722
   22    HB3  GLU   4           HB1      GLU   4   4.541   0.116   8.072
   23    HG2  GLU   4           HG2      GLU   4   2.305   0.806   7.454
   24    HG3  GLU   4           HG1      GLU   4   1.687   0.356   9.040
   25    H    ARG   5           HN       ARG   5   4.782  -1.693   6.226
   26    HA   ARG   5           HA       ARG   5   2.977  -0.889   4.220
   27    HB2  ARG   5           HB2      ARG   5   5.261  -0.663   3.726
   28    HB3  ARG   5           HB1      ARG   5   5.640  -2.312   4.225
   29    HG2  ARG   5           HG2      ARG   5   3.694  -2.054   1.950
   30    HG3  ARG   5           HG1      ARG   5   5.344  -1.554   1.612
   31    HD2  ARG   5           HD2      ARG   5   6.218  -3.716   2.358
   32    HD3  ARG   5           HD1      ARG   5   4.599  -4.245   2.796
   33    HE   ARG   5           HE       ARG   5   4.133  -4.599   0.533
   34   HH11  ARG   5          HH11      ARG   5   4.772  -4.773  -1.642
   35   HH12  ARG   5          HH12      ARG   5   6.261  -4.058  -2.160
   36   HH21  ARG   5          HH21      ARG   5   7.059  -2.821   0.984
   37   HH22  ARG   5          HH22      ARG   5   7.560  -2.951  -0.669
   38    H    ALA   6           HN       ALA   6   3.998  -4.103   5.341
   39    HA   ALA   6           HA       ALA   6   2.674  -5.602   3.390
   40    HB1  ALA   6           HB1      ALA   6   4.324  -6.475   5.062
   41    HB2  ALA   6           HB2      ALA   6   2.871  -7.464   4.908
   42    HB3  ALA   6           HB3      ALA   6   3.055  -6.382   6.286
   43    H    GLN   7           HN       GLN   7   1.515  -4.437   6.551
   44    HA   GLN   7           HA       GLN   7  -1.052  -5.661   6.364
   45    HB2  GLN   7           HB2      GLN   7   0.003  -4.729   8.454
   46    HB3  GLN   7           HB1      GLN   7  -0.301  -3.110   7.827
   47    HG2  GLN   7           HG2      GLN   7  -2.102  -3.725   9.339
   48    HG3  GLN   7           HG1      GLN   7  -2.732  -3.663   7.692
   49   HE21  GLN   7          HE21      GLN   7  -4.203  -5.357   7.465
   50   HE22  GLN   7          HE22      GLN   7  -3.944  -6.947   8.016
   51    H    LEU   8           HN       LEU   8   0.148  -2.433   5.464
   52    HA   LEU   8           HA       LEU   8  -2.353  -1.402   4.628
   53    HB2  LEU   8           HB2      LEU   8   0.458  -0.618   3.910
   54    HB3  LEU   8           HB1      LEU   8  -0.970   0.274   3.388
   55    HG   LEU   8           HG       LEU   8  -0.321  -0.345   6.282
   56   HD11  LEU   8          HD11      LEU   8   0.139   2.143   4.633
   57   HD12  LEU   8          HD12      LEU   8   1.369   1.111   5.354
   58   HD13  LEU   8          HD13      LEU   8   0.306   2.063   6.385
   59   HD21  LEU   8          HD21      LEU   8  -2.535   1.132   4.875
   60   HD22  LEU   8          HD22      LEU   8  -1.970   1.769   6.417
   61   HD23  LEU   8          HD23      LEU   8  -2.601   0.132   6.321
   62    H    CYS   9           HN       CYS   9   0.190  -3.166   2.962
   63    HA   CYS   9           HA       CYS   9  -0.784  -2.896   0.337
   64    HB2  CYS   9           HB2      CYS   9   0.912  -4.954   1.720
   65    HB3  CYS   9           HB1      CYS   9   0.446  -5.159   0.031
   66    H    THR  10           HN       THR  10  -1.574  -5.182   2.915
   67    HA   THR  10           HA       THR  10  -3.227  -6.902   1.391
   68    HB   THR  10           HB       THR  10  -3.369  -6.122   4.294
   69    HG1  THR  10           HG1      THR  10  -1.968  -7.708   4.626
   70   HG21  THR  10          HG21      THR  10  -5.441  -7.146   3.709
   71   HG22  THR  10          HG22      THR  10  -4.469  -8.378   4.514
   72   HG23  THR  10          HG23      THR  10  -4.625  -8.385   2.756
   73    H    ALA  11           HN       ALA  11  -3.956  -3.967   3.286
   74    HA   ALA  11           HA       ALA  11  -6.738  -3.997   2.806
   75    HB1  ALA  11           HB1      ALA  11  -4.935  -1.596   3.227
   76    HB2  ALA  11           HB2      ALA  11  -5.661  -2.561   4.513
   77    HB3  ALA  11           HB3      ALA  11  -6.688  -1.629   3.423
   78    H    ALA  12           HN       ALA  12  -4.057  -2.430   1.055
   79    HA   ALA  12           HA       ALA  12  -5.689  -1.227  -0.937
   80    HB1  ALA  12           HB1      ALA  12  -3.709  -0.526  -1.916
   81    HB2  ALA  12           HB2      ALA  12  -2.863  -2.029  -1.539
   82    HB3  ALA  12           HB3      ALA  12  -3.152  -0.841  -0.275
   83    H    GLU  13           HN       GLU  13  -3.930  -4.284  -0.780
   84    HA   GLU  13           HA       GLU  13  -4.468  -5.124  -3.424
   85    HB2  GLU  13           HB2      GLU  13  -2.704  -6.118  -2.028
   86    HB3  GLU  13           HB1      GLU  13  -3.927  -6.779  -0.928
   87    HG2  GLU  13           HG2      GLU  13  -4.860  -8.122  -2.771
   88    HG3  GLU  13           HG1      GLU  13  -3.711  -7.410  -3.901
   89    H    LYS  14           HN       LYS  14  -6.107  -5.731  -0.347
   90    HA   LYS  14           HA       LYS  14  -8.116  -7.416  -1.385
   91    HB2  LYS  14           HB2      LYS  14  -7.606  -7.349   0.988
   92    HB3  LYS  14           HB1      LYS  14  -8.097  -5.656   1.067
   93    HG2  LYS  14           HG2      LYS  14 -10.386  -6.233   0.517
   94    HG3  LYS  14           HG1      LYS  14  -9.928  -7.897   0.152
   95    HD2  LYS  14           HD2      LYS  14 -10.930  -7.918   2.329
   96    HD3  LYS  14           HD1      LYS  14  -9.197  -8.112   2.573
   97    HE2  LYS  14           HE2      LYS  14  -8.962  -5.771   3.174
   98    HE3  LYS  14           HE1      LYS  14 -10.645  -5.455   2.753
   99    HZ1  LYS  14           HZ1      LYS  14 -10.901  -5.794   4.957
  100    HZ2  LYS  14           HZ2      LYS  14  -9.517  -6.770   5.095
  101    HZ3  LYS  14           HZ3      LYS  14 -10.963  -7.422   4.486
  102    H    ALA  15           HN       ALA  15  -7.996  -3.917  -0.829
  103    HA   ALA  15           HA       ALA  15 -10.652  -3.359  -1.579
  104    HB1  ALA  15           HB1      ALA  15  -8.948  -1.836  -0.401
  105    HB2  ALA  15           HB2      ALA  15 -10.008  -1.087  -1.593
  106    HB3  ALA  15           HB3      ALA  15  -8.342  -1.477  -2.018
  107    H    ASP  16           HN       ASP  16  -7.674  -3.600  -3.439
  108    HA   ASP  16           HA       ASP  16  -8.654  -2.625  -5.890
  109    HB2  ASP  16           HB2      ASP  16  -6.257  -2.970  -5.396
  110    HB3  ASP  16           HB1      ASP  16  -6.512  -4.713  -5.443
  111    H    GLU  17           HN       GLU  17  -8.618  -5.893  -4.511
  112    HA   GLU  17           HA       GLU  17  -9.621  -7.236  -6.774
  113    HB2  GLU  17           HB2      GLU  17  -8.566  -8.379  -4.856
  114    HB3  GLU  17           HB1      GLU  17  -9.942  -7.930  -3.842
  115    HG2  GLU  17           HG2      GLU  17 -11.448  -9.192  -5.285
  116    HG3  GLU  17           HG1      GLU  17 -10.120  -9.596  -6.370
  117    H    LEU  18           HN       LEU  18 -11.209  -5.648  -4.036
  118    HA   LEU  18           HA       LEU  18 -13.838  -6.483  -4.590
  119    HB2  LEU  18           HB2      LEU  18 -12.783  -4.013  -3.235
  120    HB3  LEU  18           HB1      LEU  18 -14.492  -4.440  -3.280
  121    HG   LEU  18           HG       LEU  18 -12.306  -6.239  -2.188
  122   HD11  LEU  18          HD11      LEU  18 -14.372  -4.723  -0.599
  123   HD12  LEU  18          HD12      LEU  18 -12.770  -4.065  -0.920
  124   HD13  LEU  18          HD13      LEU  18 -12.943  -5.560  -0.004
  125   HD21  LEU  18          HD21      LEU  18 -14.555  -7.188  -1.069
  126   HD22  LEU  18          HD22      LEU  18 -14.024  -7.727  -2.653
  127   HD23  LEU  18          HD23      LEU  18 -15.281  -6.500  -2.524
  128    H    GLY  19           HN       GLY  19 -11.986  -3.680  -5.703
  129    HA2  GLY  19           HA2      GLY  19 -12.450  -3.051  -8.082
  130    HA3  GLY  19           HA1      GLY  19 -14.155  -3.067  -7.649
  131    H1   SER   1           HN       SER   1 -11.257  -1.699  -6.039
  132    HA   SER   1           HA       SER   1 -12.443   0.992  -6.248
  133    HB2  SER   1           HB2      SER   1 -11.971   1.440  -3.931
  134    HB3  SER   1           HB1      SER   1 -12.972  -0.007  -4.026
  135    HG   SER   1           HG       SER   1 -11.095  -1.248  -3.797
  136    HA   PRO   2           HA       PRO   2  -7.921   0.634  -7.505
  137    HB2  PRO   2           HB2      PRO   2  -8.158   2.450  -9.606
  138    HB3  PRO   2           HB1      PRO   2  -8.350   0.691  -9.766
  139    HG2  PRO   2           HG2      PRO   2 -10.449   2.800  -9.488
  140    HG3  PRO   2           HG1      PRO   2 -10.416   1.370 -10.540
  141    HD2  PRO   2           HD2      PRO   2 -11.862   1.388  -8.293
  142    HD3  PRO   2           HD1      PRO   2 -11.025  -0.086  -8.815
  143    H    GLU   3           HN       GLU   3 -10.032   3.450  -7.165
  144    HA   GLU   3           HA       GLU   3  -7.976   5.369  -6.715
  145    HB2  GLU   3           HB2      GLU   3 -10.903   5.279  -5.957
  146    HB3  GLU   3           HB1      GLU   3  -9.865   6.685  -5.686
  147    HG2  GLU   3           HG2      GLU   3  -9.427   6.918  -8.032
  148    HG3  GLU   3           HG1      GLU   3 -10.182   5.360  -8.386
  149    H    GLU   4           HN       GLU   4  -9.883   3.275  -4.585
  150    HA   GLU   4           HA       GLU   4  -8.849   4.356  -2.162
  151    HB2  GLU   4           HB2      GLU   4 -10.920   3.038  -2.240
  152    HB3  GLU   4           HB1      GLU   4  -9.996   1.614  -2.716
  153    HG2  GLU   4           HG2      GLU   4  -8.757   1.667  -0.630
  154    HG3  GLU   4           HG1      GLU   4  -9.558   3.161  -0.156
  155    H    ARG   5           HN       ARG   5  -7.908   1.670  -4.250
  156    HA   ARG   5           HA       ARG   5  -5.834   0.651  -2.643
  157    HB2  ARG   5           HB2      ARG   5  -6.571  -0.733  -4.386
  158    HB3  ARG   5           HB1      ARG   5  -6.481   0.553  -5.589
  159    HG2  ARG   5           HG2      ARG   5  -3.891  -0.171  -4.254
  160    HG3  ARG   5           HG1      ARG   5  -4.581  -1.394  -5.319
  161    HD2  ARG   5           HD2      ARG   5  -4.702   0.208  -7.170
  162    HD3  ARG   5           HD1      ARG   5  -4.086   1.487  -6.135
  163    HE   ARG   5           HE       ARG   5  -1.940   0.579  -6.328
  164   HH11  ARG   5          HH11      ARG   5  -0.445  -0.834  -7.304
  165   HH12  ARG   5          HH12      ARG   5  -1.014  -2.229  -8.159
  166   HH21  ARG   5          HH21      ARG   5  -4.364  -1.555  -7.549
  167   HH22  ARG   5          HH22      ARG   5  -3.240  -2.637  -8.299
  168    H    ALA   6           HN       ALA   6  -5.874   3.145  -5.171
  169    HA   ALA   6           HA       ALA   6  -3.112   3.565  -5.321
  170    HB1  ALA   6           HB1      ALA   6  -4.853   4.499  -6.873
  171    HB2  ALA   6           HB2      ALA   6  -3.642   5.672  -6.353
  172    HB3  ALA   6           HB3      ALA   6  -5.247   5.684  -5.626
  173    H    GLN   7           HN       GLN   7  -5.552   5.090  -3.233
  174    HA   GLN   7           HA       GLN   7  -3.742   6.869  -1.937
  175    HB2  GLN   7           HB2      GLN   7  -6.257   7.037  -1.904
  176    HB3  GLN   7           HB1      GLN   7  -6.290   5.650  -0.817
  177    HG2  GLN   7           HG2      GLN   7  -6.410   7.692   0.500
  178    HG3  GLN   7           HG1      GLN   7  -4.848   6.922   0.782
  179   HE21  GLN   7          HE21      GLN   7  -3.308   8.566   0.942
  180   HE22  GLN   7          HE22      GLN   7  -3.208   9.903  -0.106
  181    H    LEU   8           HN       LEU   8  -4.871   3.575  -1.161
  182    HA   LEU   8           HA       LEU   8  -3.511   3.404   1.323
  183    HB2  LEU   8           HB2      LEU   8  -4.529   1.275  -0.535
  184    HB3  LEU   8           HB1      LEU   8  -3.830   0.939   1.048
  185    HG   LEU   8           HG       LEU   8  -6.175   2.805   0.594
  186   HD11  LEU   8          HD11      LEU   8  -6.069  -0.094   1.436
  187   HD12  LEU   8          HD12      LEU   8  -6.815   0.564  -0.017
  188   HD13  LEU   8          HD13      LEU   8  -7.504   0.920   1.563
  189   HD21  LEU   8          HD21      LEU   8  -4.666   1.842   3.017
  190   HD22  LEU   8          HD22      LEU   8  -6.403   2.097   3.167
  191   HD23  LEU   8          HD23      LEU   8  -5.356   3.426   2.690
  192    H    CYS   9           HN       CYS   9  -2.610   2.650  -1.982
  193    HA   CYS   9           HA       CYS   9  -0.208   1.281  -1.459
  194    HB2  CYS   9           HB2      CYS   9  -1.127   2.971  -3.780
  195    HB3  CYS   9           HB1      CYS   9   0.453   2.190  -3.764
  196    H    THR  10           HN       THR  10  -0.937   4.728  -1.748
  197    HA   THR  10           HA       THR  10   1.718   5.685  -1.664
  198    HB   THR  10           HB       THR  10  -0.824   6.923  -0.638
  199    HG1  THR  10           HG1      THR  10  -1.110   7.619  -2.634
  200   HG21  THR  10          HG21      THR  10   1.025   8.116   0.294
  201   HG22  THR  10          HG22      THR  10   0.421   9.064  -1.065
  202   HG23  THR  10          HG23      THR  10   1.884   8.094  -1.246
  203    H    ALA  11           HN       ALA  11  -0.641   5.050   0.935
  204    HA   ALA  11           HA       ALA  11   1.033   5.893   3.046
  205    HB1  ALA  11           HB1      ALA  11  -1.122   3.763   3.087
  206    HB2  ALA  11           HB2      ALA  11  -1.396   5.494   3.300
  207    HB3  ALA  11           HB3      ALA  11  -0.456   4.596   4.492
  208    H    ALA  12           HN       ALA  12   0.512   2.688   1.573
  209    HA   ALA  12           HA       ALA  12   2.334   1.311   3.263
  210    HB1  ALA  12           HB1      ALA  12   1.877  -0.552   1.965
  211    HB2  ALA  12           HB2      ALA  12   1.830   0.370   0.461
  212    HB3  ALA  12           HB3      ALA  12   0.474   0.439   1.580
  213    H    GLU  13           HN       GLU  13   2.645   2.818   0.091
  214    HA   GLU  13           HA       GLU  13   5.317   2.033  -0.388
  215    HB2  GLU  13           HB2      GLU  13   3.813   2.803  -2.166
  216    HB3  GLU  13           HB1      GLU  13   3.760   4.424  -1.438
  217    HG2  GLU  13           HG2      GLU  13   6.191   4.665  -1.770
  218    HG3  GLU  13           HG1      GLU  13   6.287   3.028  -2.412
  219    H    LYS  14           HN       LYS  14   3.901   4.957   1.017
  220    HA   LYS  14           HA       LYS  14   6.333   6.326   1.443
  221    HB2  LYS  14           HB2      LYS  14   4.192   7.479   1.459
  222    HB3  LYS  14           HB1      LYS  14   3.677   6.543   2.862
  223    HG2  LYS  14           HG2      LYS  14   5.399   7.546   4.239
  224    HG3  LYS  14           HG1      LYS  14   6.149   8.303   2.833
  225    HD2  LYS  14           HD2      LYS  14   4.902  10.017   3.951
  226    HD3  LYS  14           HD1      LYS  14   3.982   9.590   2.512
  227    HE2  LYS  14           HE2      LYS  14   2.465   8.215   3.824
  228    HE3  LYS  14           HE1      LYS  14   3.446   8.452   5.271
  229    HZ1  LYS  14           HZ1      LYS  14   1.931  10.084   5.590
  230    HZ2  LYS  14           HZ2      LYS  14   1.606  10.282   3.934
  231    HZ3  LYS  14           HZ3      LYS  14   3.005  10.963   4.617
  232    H    ALA  15           HN       ALA  15   4.416   4.171   3.503
  233    HA   ALA  15           HA       ALA  15   5.998   4.402   5.818
  234    HB1  ALA  15           HB1      ALA  15   3.660   3.347   5.525
  235    HB2  ALA  15           HB2      ALA  15   4.767   2.582   6.658
  236    HB3  ALA  15           HB3      ALA  15   4.530   1.889   5.055
  237    H    ASP  16           HN       ASP  16   6.204   2.268   3.028
  238    HA   ASP  16           HA       ASP  16   8.196   0.535   4.003
  239    HB2  ASP  16           HB2      ASP  16   6.857   0.098   1.981
  240    HB3  ASP  16           HB1      ASP  16   7.704   1.397   1.146
  241    H    GLU  17           HN       GLU  17   8.417   3.613   2.253
  242    HA   GLU  17           HA       GLU  17  11.211   3.618   1.904
  243    HB2  GLU  17           HB2      GLU  17   9.673   5.123   0.690
  244    HB3  GLU  17           HB1      GLU  17   9.319   5.967   2.202
  245    HG2  GLU  17           HG2      GLU  17  11.665   6.601   2.424
  246    HG3  GLU  17           HG1      GLU  17  12.075   5.705   0.963
  247    H    LEU  18           HN       LEU  18   9.126   4.769   4.525
  248    HA   LEU  18           HA       LEU  18  11.105   6.092   6.025
  249    HB2  LEU  18           HB2      LEU  18   8.550   4.738   6.858
  250    HB3  LEU  18           HB1      LEU  18   9.540   5.698   7.954
  251    HG   LEU  18           HG       LEU  18   8.405   6.720   5.333
  252   HD11  LEU  18          HD11      LEU  18   7.476   7.412   8.117
  253   HD12  LEU  18          HD12      LEU  18   6.726   6.136   7.163
  254   HD13  LEU  18          HD13      LEU  18   6.698   7.799   6.588
  255   HD21  LEU  18          HD21      LEU  18   8.925   8.950   6.729
  256   HD22  LEU  18          HD22      LEU  18  10.162   8.178   5.750
  257   HD23  LEU  18          HD23      LEU  18  10.129   7.907   7.490
  258    H    GLY  19           HN       GLY  19  10.013   2.724   6.032
  259    HA2  GLY  19           HA2      GLY  19  11.861   1.076   6.389
  260    HA3  GLY  19           HA1      GLY  19  12.303   2.025   7.802
  261   HB11  B74 100          HB11      0AA 100   2.305  -4.060  -1.896
  262   HB12  B74 100          HB12      0AA 100   0.601  -3.656  -1.670
  263    HG   B74 100           HG       0AA 100  -0.174  -1.484  -2.563
  264    HE1  B74 100           HE1      0AA 100   3.968  -1.925  -1.657
  265    HE2  B74 100           HE2      0AA 100   2.718   0.610  -4.904
  266    HZ   B74 100           HZ       0AA 100   4.510  -0.266  -3.421
  267   HB21  B74 100          HB21      0AA 100  -0.297  -0.916  -5.440
  268   HB22  B74 100          HB22      0AA 100   0.433   0.689  -5.544
  Start of MODEL    8
    1    H1   SER   1           HN       SER   1   8.361   2.588   5.908
    2    HA   SER   1           HA       SER   1   8.240   1.117   8.464
    3    HB2  SER   1           HB2      SER   1   5.744   1.428   8.415
    4    HB3  SER   1           HB1      SER   1   6.650   2.896   8.766
    5    HG   SER   1           HG       SER   1   6.519   2.917   6.225
    6    HA   PRO   2           HA       PRO   2   8.099  -1.588   4.655
    7    HB2  PRO   2           HB2      PRO   2   9.320  -3.347   6.770
    8    HB3  PRO   2           HB1      PRO   2   9.767  -3.165   5.057
    9    HG2  PRO   2           HG2      PRO   2  11.253  -2.043   6.906
   10    HG3  PRO   2           HG1      PRO   2  10.852  -1.135   5.433
   11    HD2  PRO   2           HD2      PRO   2   9.648  -0.877   8.182
   12    HD3  PRO   2           HD1      PRO   2  10.104   0.402   7.032
   13    H    GLU   3           HN       GLU   3   7.277  -2.242   8.035
   14    HA   GLU   3           HA       GLU   3   5.577  -4.451   7.523
   15    HB2  GLU   3           HB2      GLU   3   6.539  -3.956   9.744
   16    HB3  GLU   3           HB1      GLU   3   5.503  -2.526   9.852
   17    HG2  GLU   3           HG2      GLU   3   3.508  -3.895   9.693
   18    HG3  GLU   3           HG1      GLU   3   4.482  -5.337   9.404
   19    H    GLU   4           HN       GLU   4   4.968  -0.963   7.765
   20    HA   GLU   4           HA       GLU   4   2.148  -1.151   7.621
   21    HB2  GLU   4           HB2      GLU   4   4.065   1.045   6.827
   22    HB3  GLU   4           HB1      GLU   4   2.311   1.222   6.736
   23    HG2  GLU   4           HG2      GLU   4   2.086   0.806   9.108
   24    HG3  GLU   4           HG1      GLU   4   3.804   0.434   9.253
   25    H    ARG   5           HN       ARG   5   4.681  -1.012   5.180
   26    HA   ARG   5           HA       ARG   5   3.058  -0.722   2.921
   27    HB2  ARG   5           HB2      ARG   5   5.358  -0.432   2.633
   28    HB3  ARG   5           HB1      ARG   5   5.755  -1.944   3.430
   29    HG2  ARG   5           HG2      ARG   5   4.084  -2.146   0.954
   30    HG3  ARG   5           HG1      ARG   5   5.764  -1.658   0.730
   31    HD2  ARG   5           HD2      ARG   5   6.427  -3.694   2.133
   32    HD3  ARG   5           HD1      ARG   5   4.759  -4.217   2.018
   33    HE   ARG   5           HE       ARG   5   6.698  -4.145  -0.165
   34   HH11  ARG   5          HH11      ARG   5   6.063  -5.265  -2.028
   35   HH12  ARG   5          HH12      ARG   5   4.432  -5.829  -2.184
   36   HH21  ARG   5          HH21      ARG   5   3.429  -4.599   0.901
   37   HH22  ARG   5          HH22      ARG   5   2.943  -5.453  -0.524
   38    H    ALA   6           HN       ALA   6   4.143  -3.702   4.585
   39    HA   ALA   6           HA       ALA   6   2.950  -5.486   2.758
   40    HB1  ALA   6           HB1      ALA   6   4.611  -6.079   4.558
   41    HB2  ALA   6           HB2      ALA   6   3.230  -7.169   4.443
   42    HB3  ALA   6           HB3      ALA   6   3.294  -5.958   5.723
   43    H    GLN   7           HN       GLN   7   1.716  -4.060   5.770
   44    HA   GLN   7           HA       GLN   7  -0.836  -5.359   5.601
   45    HB2  GLN   7           HB2      GLN   7   0.083  -2.907   7.131
   46    HB3  GLN   7           HB1      GLN   7  -1.494  -3.666   7.332
   47    HG2  GLN   7           HG2      GLN   7   1.171  -5.054   7.766
   48    HG3  GLN   7           HG1      GLN   7   0.135  -4.428   9.049
   49   HE21  GLN   7          HE21      GLN   7   0.965  -7.303   7.884
   50   HE22  GLN   7          HE22      GLN   7  -0.521  -8.131   7.947
   51    H    LEU   8           HN       LEU   8   0.364  -2.161   4.607
   52    HA   LEU   8           HA       LEU   8  -2.149  -1.121   3.817
   53    HB2  LEU   8           HB2      LEU   8   0.669  -0.372   3.082
   54    HB3  LEU   8           HB1      LEU   8  -0.743   0.514   2.508
   55    HG   LEU   8           HG       LEU   8  -0.212  -0.018   5.449
   56   HD11  LEU   8          HD11      LEU   8   1.615   1.306   4.486
   57   HD12  LEU   8          HD12      LEU   8   0.609   2.304   5.536
   58   HD13  LEU   8          HD13      LEU   8   0.442   2.419   3.784
   59   HD21  LEU   8          HD21      LEU   8  -1.708   2.161   5.496
   60   HD22  LEU   8          HD22      LEU   8  -2.462   0.583   5.311
   61   HD23  LEU   8          HD23      LEU   8  -2.215   1.609   3.900
   62    H    CYS   9           HN       CYS   9   0.372  -2.892   2.090
   63    HA   CYS   9           HA       CYS   9  -0.733  -2.668  -0.496
   64    HB2  CYS   9           HB2      CYS   9   1.153  -4.618   0.794
   65    HB3  CYS   9           HB1      CYS   9   0.608  -4.858  -0.865
   66    H    THR  10           HN       THR  10  -1.269  -4.980   2.115
   67    HA   THR  10           HA       THR  10  -2.858  -6.826   0.693
   68    HB   THR  10           HB       THR  10  -2.987  -5.984   3.581
   69    HG1  THR  10           HG1      THR  10  -1.158  -6.976   3.643
   70   HG21  THR  10          HG21      THR  10  -4.990  -7.170   3.097
   71   HG22  THR  10          HG22      THR  10  -3.903  -8.336   3.852
   72   HG23  THR  10          HG23      THR  10  -4.130  -8.347   2.102
   73    H    ALA  11           HN       ALA  11  -3.705  -3.873   2.505
   74    HA   ALA  11           HA       ALA  11  -6.497  -4.085   2.130
   75    HB1  ALA  11           HB1      ALA  11  -6.485  -1.591   2.467
   76    HB2  ALA  11           HB2      ALA  11  -4.722  -1.654   2.460
   77    HB3  ALA  11           HB3      ALA  11  -5.630  -2.491   3.721
   78    H    ALA  12           HN       ALA  12  -3.971  -2.500   0.174
   79    HA   ALA  12           HA       ALA  12  -5.720  -1.482  -1.815
   80    HB1  ALA  12           HB1      ALA  12  -2.900  -2.296  -2.468
   81    HB2  ALA  12           HB2      ALA  12  -3.176  -0.985  -1.326
   82    HB3  ALA  12           HB3      ALA  12  -3.796  -0.862  -2.971
   83    H    GLU  13           HN       GLU  13  -3.840  -4.481  -1.590
   84    HA   GLU  13           HA       GLU  13  -4.542  -5.521  -4.125
   85    HB2  GLU  13           HB2      GLU  13  -2.626  -6.316  -2.799
   86    HB3  GLU  13           HB1      GLU  13  -3.732  -6.968  -1.578
   87    HG2  GLU  13           HG2      GLU  13  -4.702  -8.485  -3.255
   88    HG3  GLU  13           HG1      GLU  13  -3.675  -7.792  -4.508
   89    H    LYS  14           HN       LYS  14  -5.893  -5.991  -0.899
   90    HA   LYS  14           HA       LYS  14  -7.914  -7.826  -1.644
   91    HB2  LYS  14           HB2      LYS  14  -7.154  -7.574   0.661
   92    HB3  LYS  14           HB1      LYS  14  -7.767  -5.925   0.714
   93    HG2  LYS  14           HG2      LYS  14 -10.063  -6.757   0.315
   94    HG3  LYS  14           HG1      LYS  14  -9.455  -8.409   0.223
   95    HD2  LYS  14           HD2      LYS  14  -8.945  -6.730   2.675
   96    HD3  LYS  14           HD1      LYS  14 -10.481  -7.565   2.474
   97    HE2  LYS  14           HE2      LYS  14  -7.763  -8.919   2.381
   98    HE3  LYS  14           HE1      LYS  14  -8.837  -8.907   3.775
   99    HZ1  LYS  14           HZ1      LYS  14  -9.681 -10.747   2.879
  100    HZ2  LYS  14           HZ2      LYS  14  -8.994 -10.451   1.353
  101    HZ3  LYS  14           HZ3      LYS  14 -10.464  -9.715   1.784
  102    H    ALA  15           HN       ALA  15  -7.802  -4.298  -1.438
  103    HA   ALA  15           HA       ALA  15 -10.534  -3.799  -1.834
  104    HB1  ALA  15           HB1      ALA  15  -8.173  -2.130  -2.732
  105    HB2  ALA  15           HB2      ALA  15  -8.912  -2.072  -1.131
  106    HB3  ALA  15           HB3      ALA  15  -9.831  -1.560  -2.546
  107    H    ASP  16           HN       ASP  16  -7.903  -4.335  -4.126
  108    HA   ASP  16           HA       ASP  16  -9.355  -3.768  -6.487
  109    HB2  ASP  16           HB2      ASP  16  -6.987  -5.571  -5.959
  110    HB3  ASP  16           HB1      ASP  16  -7.647  -5.300  -7.572
  111    H    GLU  17           HN       GLU  17  -8.915  -6.720  -4.588
  112    HA   GLU  17           HA       GLU  17 -10.293  -8.469  -6.337
  113    HB2  GLU  17           HB2      GLU  17  -9.796  -8.560  -3.356
  114    HB3  GLU  17           HB1      GLU  17 -10.566  -9.872  -4.247
  115    HG2  GLU  17           HG2      GLU  17  -8.592 -10.084  -5.687
  116    HG3  GLU  17           HG1      GLU  17  -7.826  -8.729  -4.858
  117    H    LEU  18           HN       LEU  18 -11.366  -6.455  -3.624
  118    HA   LEU  18           HA       LEU  18 -14.034  -7.375  -3.533
  119    HB2  LEU  18           HB2      LEU  18 -12.798  -4.755  -2.708
  120    HB3  LEU  18           HB1      LEU  18 -14.478  -5.184  -2.390
  121    HG   LEU  18           HG       LEU  18 -12.100  -6.846  -1.509
  122   HD11  LEU  18          HD11      LEU  18 -13.774  -4.809  -0.037
  123   HD12  LEU  18          HD12      LEU  18 -12.039  -4.747  -0.337
  124   HD13  LEU  18          HD13      LEU  18 -12.700  -5.954   0.764
  125   HD21  LEU  18          HD21      LEU  18 -13.870  -8.352  -1.462
  126   HD22  LEU  18          HD22      LEU  18 -15.082  -7.096  -1.218
  127   HD23  LEU  18          HD23      LEU  18 -14.071  -7.622   0.126
  128    H    GLY  19           HN       GLY  19 -12.489  -4.757  -5.346
  129    HA2  GLY  19           HA2      GLY  19 -13.333  -4.339  -7.625
  130    HA3  GLY  19           HA1      GLY  19 -14.964  -4.488  -6.977
  131    H1   SER   1           HN       SER   1 -12.000  -2.646  -6.165
  132    HA   SER   1           HA       SER   1 -13.504  -0.131  -6.368
  133    HB2  SER   1           HB2      SER   1 -12.532   0.591  -4.160
  134    HB3  SER   1           HB1      SER   1 -13.766  -0.658  -4.036
  135    HG   SER   1           HG       SER   1 -11.630  -2.012  -4.329
  136    HA   PRO   2           HA       PRO   2  -9.263  -0.150  -8.350
  137    HB2  PRO   2           HB2      PRO   2 -10.835   1.856  -9.950
  138    HB3  PRO   2           HB1      PRO   2  -9.680   0.624 -10.509
  139    HG2  PRO   2           HG2      PRO   2 -12.251   0.215 -10.822
  140    HG3  PRO   2           HG1      PRO   2 -11.218  -1.109 -10.244
  141    HD2  PRO   2           HD2      PRO   2 -13.086   0.645  -8.659
  142    HD3  PRO   2           HD1      PRO   2 -12.812  -1.109  -8.529
  143    H    GLU   3           HN       GLU   3 -11.425   2.515  -7.480
  144    HA   GLU   3           HA       GLU   3  -9.427   4.518  -7.363
  145    HB2  GLU   3           HB2      GLU   3 -11.843   5.009  -7.516
  146    HB3  GLU   3           HB1      GLU   3 -12.054   4.399  -5.870
  147    HG2  GLU   3           HG2      GLU   3 -10.549   6.089  -4.996
  148    HG3  GLU   3           HG1      GLU   3 -10.162   6.633  -6.629
  149    H    GLU   4           HN       GLU   4 -10.732   2.299  -4.915
  150    HA   GLU   4           HA       GLU   4  -9.349   3.439  -2.727
  151    HB2  GLU   4           HB2      GLU   4 -10.351   0.631  -3.229
  152    HB3  GLU   4           HB1      GLU   4  -9.609   1.133  -1.708
  153    HG2  GLU   4           HG2      GLU   4 -11.299   2.827  -1.367
  154    HG3  GLU   4           HG1      GLU   4 -11.994   2.521  -2.959
  155    H    ARG   5           HN       ARG   5  -8.457   1.017  -5.124
  156    HA   ARG   5           HA       ARG   5  -6.034   0.199  -4.002
  157    HB2  ARG   5           HB2      ARG   5  -6.865  -1.069  -5.773
  158    HB3  ARG   5           HB1      ARG   5  -7.121   0.332  -6.797
  159    HG2  ARG   5           HG2      ARG   5  -4.299  -0.195  -5.953
  160    HG3  ARG   5           HG1      ARG   5  -5.003  -1.343  -7.093
  161    HD2  ARG   5           HD2      ARG   5  -5.677   0.670  -8.529
  162    HD3  ARG   5           HD1      ARG   5  -4.676   1.649  -7.476
  163    HE   ARG   5           HE       ARG   5  -3.731  -0.366  -9.374
  164   HH11  ARG   5          HH11      ARG   5  -1.502  -0.319  -9.773
  165   HH12  ARG   5          HH12      ARG   5  -0.469   0.673  -8.798
  166   HH21  ARG   5          HH21      ARG   5  -3.050   1.897  -6.833
  167   HH22  ARG   5          HH22      ARG   5  -1.347   1.927  -7.138
  168    H    ALA   6           HN       ALA   6  -6.700   2.896  -6.261
  169    HA   ALA   6           HA       ALA   6  -4.015   3.690  -6.556
  170    HB1  ALA   6           HB1      ALA   6  -5.958   4.479  -7.950
  171    HB2  ALA   6           HB2      ALA   6  -4.874   5.763  -7.416
  172    HB3  ALA   6           HB3      ALA   6  -6.421   5.520  -6.604
  173    H    GLN   7           HN       GLN   7  -6.521   4.743  -4.281
  174    HA   GLN   7           HA       GLN   7  -4.817   6.589  -2.900
  175    HB2  GLN   7           HB2      GLN   7  -7.418   5.261  -2.092
  176    HB3  GLN   7           HB1      GLN   7  -6.624   6.531  -1.164
  177    HG2  GLN   7           HG2      GLN   7  -7.545   6.801  -4.042
  178    HG3  GLN   7           HG1      GLN   7  -8.409   7.432  -2.641
  179   HE21  GLN   7          HE21      GLN   7  -6.669   8.618  -5.063
  180   HE22  GLN   7          HE22      GLN   7  -5.772   9.828  -4.271
  181    H    LEU   8           HN       LEU   8  -5.707   3.185  -2.370
  182    HA   LEU   8           HA       LEU   8  -4.439   2.986   0.171
  183    HB2  LEU   8           HB2      LEU   8  -5.321   0.913  -1.821
  184    HB3  LEU   8           HB1      LEU   8  -4.594   0.506  -0.269
  185    HG   LEU   8           HG       LEU   8  -7.021   2.308  -0.522
  186   HD11  LEU   8          HD11      LEU   8  -7.511   0.078  -1.438
  187   HD12  LEU   8          HD12      LEU   8  -8.346   0.331   0.096
  188   HD13  LEU   8          HD13      LEU   8  -6.889  -0.660   0.037
  189   HD21  LEU   8          HD21      LEU   8  -7.268   1.318   1.912
  190   HD22  LEU   8          HD22      LEU   8  -6.173   2.662   1.626
  191   HD23  LEU   8          HD23      LEU   8  -5.536   1.025   1.762
  192    H    CYS   9           HN       CYS   9  -3.377   2.385  -3.142
  193    HA   CYS   9           HA       CYS   9  -0.887   1.198  -2.525
  194    HB2  CYS   9           HB2      CYS   9  -1.878   2.739  -4.914
  195    HB3  CYS   9           HB1      CYS   9  -0.231   2.119  -4.829
  196    H    THR  10           HN       THR  10  -1.886   4.556  -2.905
  197    HA   THR  10           HA       THR  10   0.653   5.760  -2.816
  198    HB   THR  10           HB       THR  10  -1.990   6.760  -1.778
  199    HG1  THR  10           HG1      THR  10  -2.433   6.848  -3.809
  200   HG21  THR  10          HG21      THR  10  -0.285   8.149  -0.867
  201   HG22  THR  10          HG22      THR  10  -0.924   9.008  -2.268
  202   HG23  THR  10          HG23      THR  10   0.614   8.151  -2.385
  203    H    ALA  11           HN       ALA  11  -1.610   4.870  -0.214
  204    HA   ALA  11           HA       ALA  11  -0.051   5.893   1.905
  205    HB1  ALA  11           HB1      ALA  11  -1.318   4.225   3.304
  206    HB2  ALA  11           HB2      ALA  11  -2.030   3.604   1.815
  207    HB3  ALA  11           HB3      ALA  11  -2.344   5.265   2.316
  208    H    ALA  12           HN       ALA  12  -0.145   2.674   0.373
  209    HA   ALA  12           HA       ALA  12   1.821   1.495   2.048
  210    HB1  ALA  12           HB1      ALA  12   1.441   0.663  -0.819
  211    HB2  ALA  12           HB2      ALA  12   0.152   0.397   0.353
  212    HB3  ALA  12           HB3      ALA  12   1.735  -0.338   0.604
  213    H    GLU  13           HN       GLU  13   2.003   3.115  -1.095
  214    HA   GLU  13           HA       GLU  13   4.780   2.753  -1.508
  215    HB2  GLU  13           HB2      GLU  13   3.190   3.304  -3.300
  216    HB3  GLU  13           HB1      GLU  13   2.899   4.893  -2.567
  217    HG2  GLU  13           HG2      GLU  13   5.277   5.478  -2.877
  218    HG3  GLU  13           HG1      GLU  13   5.600   3.881  -3.546
  219    H    LYS  14           HN       LYS  14   2.896   5.408  -0.133
  220    HA   LYS  14           HA       LYS  14   5.075   7.139   0.384
  221    HB2  LYS  14           HB2      LYS  14   2.766   7.926   0.290
  222    HB3  LYS  14           HB1      LYS  14   2.352   6.969   1.706
  223    HG2  LYS  14           HG2      LYS  14   3.973   8.251   3.061
  224    HG3  LYS  14           HG1      LYS  14   4.430   9.191   1.640
  225    HD2  LYS  14           HD2      LYS  14   1.553   9.100   2.544
  226    HD3  LYS  14           HD1      LYS  14   2.693  10.195   3.320
  227    HE2  LYS  14           HE2      LYS  14   2.153  10.116   0.332
  228    HE3  LYS  14           HE1      LYS  14   1.461  11.284   1.453
  229    HZ1  LYS  14           HZ1      LYS  14   3.269  12.477   0.998
  230    HZ2  LYS  14           HZ2      LYS  14   4.115  11.153   0.349
  231    HZ3  LYS  14           HZ3      LYS  14   4.089  11.406   2.028
  232    H    ALA  15           HN       ALA  15   3.493   4.600   2.257
  233    HA   ALA  15           HA       ALA  15   4.777   5.048   4.710
  234    HB1  ALA  15           HB1      ALA  15   3.865   2.419   3.518
  235    HB2  ALA  15           HB2      ALA  15   2.843   3.535   4.424
  236    HB3  ALA  15           HB3      ALA  15   4.189   2.724   5.221
  237    H    ASP  16           HN       ASP  16   5.751   3.178   1.875
  238    HA   ASP  16           HA       ASP  16   8.072   2.014   2.996
  239    HB2  ASP  16           HB2      ASP  16   7.358   2.735   0.149
  240    HB3  ASP  16           HB1      ASP  16   8.844   1.890   0.584
  241    H    GLU  17           HN       GLU  17   7.479   5.078   1.333
  242    HA   GLU  17           HA       GLU  17  10.174   5.948   1.229
  243    HB2  GLU  17           HB2      GLU  17   7.557   7.461   1.259
  244    HB3  GLU  17           HB1      GLU  17   9.123   8.242   1.030
  245    HG2  GLU  17           HG2      GLU  17   9.554   6.849  -0.942
  246    HG3  GLU  17           HG1      GLU  17   8.022   6.009  -0.700
  247    H    LEU  18           HN       LEU  18   7.622   6.355   3.656
  248    HA   LEU  18           HA       LEU  18   9.027   8.118   5.354
  249    HB2  LEU  18           HB2      LEU  18   6.820   6.147   5.913
  250    HB3  LEU  18           HB1      LEU  18   7.435   7.285   7.110
  251    HG   LEU  18           HG       LEU  18   6.351   8.091   4.394
  252   HD11  LEU  18          HD11      LEU  18   5.061   8.010   7.125
  253   HD12  LEU  18          HD12      LEU  18   4.548   7.153   5.673
  254   HD13  LEU  18          HD13      LEU  18   4.397   8.906   5.760
  255   HD21  LEU  18          HD21      LEU  18   7.638   9.917   5.037
  256   HD22  LEU  18          HD22      LEU  18   7.465   9.579   6.757
  257   HD23  LEU  18          HD23      LEU  18   6.139  10.318   5.864
  258    H    GLY  19           HN       GLY  19   8.862   4.587   5.229
  259    HA2  GLY  19           HA2      GLY  19  10.930   3.365   5.777
  260    HA3  GLY  19           HA1      GLY  19  11.140   4.462   7.137
  261   HB11  B74 100          HB11      0AA 100   2.410  -3.695  -2.857
  262   HB12  B74 100          HB12      0AA 100   0.681  -3.458  -2.612
  263    HG   B74 100           HG       0AA 100  -0.339  -1.299  -3.377
  264    HE1  B74 100           HE1      0AA 100   3.864  -1.373  -2.801
  265    HE2  B74 100           HE2      0AA 100   2.183   0.787  -6.110
  266    HZ   B74 100           HZ       0AA 100   4.128   0.205  -4.676
  267   HB21  B74 100          HB21      0AA 100  -0.582  -1.100  -6.386
  268   HB22  B74 100          HB22      0AA 100  -0.112   0.588  -6.624
  Start of MODEL    9
    1    H1   SER   1           HN       SER   1   8.978   1.004   6.807
    2    HA   SER   1           HA       SER   1   8.491  -0.435   9.321
    3    HB2  SER   1           HB2      SER   1   6.410   1.287   7.990
    4    HB3  SER   1           HB1      SER   1   6.226   0.323   9.453
    5    HG   SER   1           HG       SER   1   8.368   2.066   9.435
    6    HA   PRO   2           HA       PRO   2   7.832  -2.802   5.300
    7    HB2  PRO   2           HB2      PRO   2   8.984  -5.141   6.330
    8    HB3  PRO   2           HB1      PRO   2   9.859  -3.908   5.397
    9    HG2  PRO   2           HG2      PRO   2   9.707  -4.287   8.356
   10    HG3  PRO   2           HG1      PRO   2  11.099  -3.854   7.347
   11    HD2  PRO   2           HD2      PRO   2   9.815  -2.010   8.784
   12    HD3  PRO   2           HD1      PRO   2  10.445  -1.616   7.173
   13    H    GLU   3           HN       GLU   3   7.321  -3.683   8.692
   14    HA   GLU   3           HA       GLU   3   5.391  -5.729   8.222
   15    HB2  GLU   3           HB2      GLU   3   5.971  -3.957  10.613
   16    HB3  GLU   3           HB1      GLU   3   4.796  -5.274  10.640
   17    HG2  GLU   3           HG2      GLU   3   6.481  -6.906  10.171
   18    HG3  GLU   3           HG1      GLU   3   7.676  -5.656   9.802
   19    H    GLU   4           HN       GLU   4   5.177  -2.229   8.803
   20    HA   GLU   4           HA       GLU   4   2.328  -2.151   8.851
   21    HB2  GLU   4           HB2      GLU   4   3.783  -0.353   9.780
   22    HB3  GLU   4           HB1      GLU   4   4.269   0.062   8.136
   23    HG2  GLU   4           HG2      GLU   4   2.482   1.553   8.756
   24    HG3  GLU   4           HG1      GLU   4   1.821   0.405   7.597
   25    H    ARG   5           HN       ARG   5   4.788  -1.797   6.344
   26    HA   ARG   5           HA       ARG   5   3.091  -1.006   4.253
   27    HB2  ARG   5           HB2      ARG   5   5.409  -0.778   3.877
   28    HB3  ARG   5           HB1      ARG   5   5.737  -2.443   4.350
   29    HG2  ARG   5           HG2      ARG   5   3.892  -2.168   2.016
   30    HG3  ARG   5           HG1      ARG   5   5.542  -1.607   1.732
   31    HD2  ARG   5           HD2      ARG   5   6.443  -3.750   2.484
   32    HD3  ARG   5           HD1      ARG   5   4.822  -4.327   2.867
   33    HE   ARG   5           HE       ARG   5   4.434  -4.649   0.580
   34   HH11  ARG   5          HH11      ARG   5   5.150  -4.777  -1.567
   35   HH12  ARG   5          HH12      ARG   5   6.647  -4.035  -2.020
   36   HH21  ARG   5          HH21      ARG   5   7.317  -2.839   1.166
   37   HH22  ARG   5          HH22      ARG   5   7.877  -2.935  -0.471
   38    H    ALA   6           HN       ALA   6   4.069  -4.224   5.408
   39    HA   ALA   6           HA       ALA   6   2.862  -5.730   3.384
   40    HB1  ALA   6           HB1      ALA   6   2.968  -7.595   4.951
   41    HB2  ALA   6           HB2      ALA   6   3.162  -6.477   6.301
   42    HB3  ALA   6           HB3      ALA   6   4.437  -6.625   5.092
   43    H    GLN   7           HN       GLN   7   1.579  -4.590   6.494
   44    HA   GLN   7           HA       GLN   7  -1.001  -5.796   6.199
   45    HB2  GLN   7           HB2      GLN   7  -0.061  -3.398   7.802
   46    HB3  GLN   7           HB1      GLN   7  -1.668  -4.107   7.946
   47    HG2  GLN   7           HG2      GLN   7   0.928  -5.609   8.391
   48    HG3  GLN   7           HG1      GLN   7  -0.088  -4.960   9.680
   49   HE21  GLN   7          HE21      GLN   7   0.591  -7.835   8.302
   50   HE22  GLN   7          HE22      GLN   7  -0.931  -8.588   8.388
   51    H    LEU   8           HN       LEU   8   0.274  -2.596   5.365
   52    HA   LEU   8           HA       LEU   8  -2.177  -1.501   4.461
   53    HB2  LEU   8           HB2      LEU   8   0.684  -0.803   3.847
   54    HB3  LEU   8           HB1      LEU   8  -0.695   0.114   3.235
   55    HG   LEU   8           HG       LEU   8  -0.244  -0.460   6.176
   56   HD11  LEU   8          HD11      LEU   8   0.514   1.889   6.314
   57   HD12  LEU   8          HD12      LEU   8   0.425   2.003   4.557
   58   HD13  LEU   8          HD13      LEU   8   1.584   0.908   5.311
   59   HD21  LEU   8          HD21      LEU   8  -2.502   0.119   6.035
   60   HD22  LEU   8          HD22      LEU   8  -2.278   1.104   4.590
   61   HD23  LEU   8          HD23      LEU   8  -1.799   1.727   6.170
   62    H    CYS   9           HN       CYS   9   0.393  -3.297   2.867
   63    HA   CYS   9           HA       CYS   9  -0.425  -2.992   0.213
   64    HB2  CYS   9           HB2      CYS   9   1.706  -4.120   1.167
   65    HB3  CYS   9           HB1      CYS   9   0.705  -5.566   1.309
   66    H    THR  10           HN       THR  10  -1.409  -5.277   2.717
   67    HA   THR  10           HA       THR  10  -3.125  -6.890   1.139
   68    HB   THR  10           HB       THR  10  -3.263  -6.195   4.065
   69    HG1  THR  10           HG1      THR  10  -2.269  -8.587   3.004
   70   HG21  THR  10          HG21      THR  10  -4.605  -8.305   2.397
   71   HG22  THR  10          HG22      THR  10  -5.346  -7.140   3.494
   72   HG23  THR  10          HG23      THR  10  -4.399  -8.480   4.141
   73    H    ALA  11           HN       ALA  11  -3.729  -3.952   3.066
   74    HA   ALA  11           HA       ALA  11  -6.515  -3.858   2.635
   75    HB1  ALA  11           HB1      ALA  11  -6.395  -1.595   3.395
   76    HB2  ALA  11           HB2      ALA  11  -4.708  -1.452   2.906
   77    HB3  ALA  11           HB3      ALA  11  -5.142  -2.473   4.275
   78    H    ALA  12           HN       ALA  12  -3.803  -2.424   0.819
   79    HA   ALA  12           HA       ALA  12  -5.418  -1.140  -1.138
   80    HB1  ALA  12           HB1      ALA  12  -2.866  -0.854  -0.548
   81    HB2  ALA  12           HB2      ALA  12  -3.418  -0.585  -2.197
   82    HB3  ALA  12           HB3      ALA  12  -2.641  -2.108  -1.762
   83    H    GLU  13           HN       GLU  13  -3.778  -4.280  -1.028
   84    HA   GLU  13           HA       GLU  13  -4.467  -5.102  -3.646
   85    HB2  GLU  13           HB2      GLU  13  -2.672  -6.160  -2.345
   86    HB3  GLU  13           HB1      GLU  13  -3.859  -6.786  -1.189
   87    HG2  GLU  13           HG2      GLU  13  -4.939  -8.088  -2.988
   88    HG3  GLU  13           HG1      GLU  13  -3.825  -7.409  -4.173
   89    H    LYS  14           HN       LYS  14  -5.990  -5.622  -0.498
   90    HA   LYS  14           HA       LYS  14  -8.090  -7.271  -1.410
   91    HB2  LYS  14           HB2      LYS  14  -7.453  -7.105   0.934
   92    HB3  LYS  14           HB1      LYS  14  -7.986  -5.425   0.986
   93    HG2  LYS  14           HG2      LYS  14 -10.301  -6.168   0.374
   94    HG3  LYS  14           HG1      LYS  14  -9.740  -7.840   0.371
   95    HD2  LYS  14           HD2      LYS  14  -9.440  -6.070   2.793
   96    HD3  LYS  14           HD1      LYS  14 -10.911  -6.997   2.502
   97    HE2  LYS  14           HE2      LYS  14  -9.461  -9.068   2.329
   98    HE3  LYS  14           HE1      LYS  14  -8.101  -8.083   2.868
   99    HZ1  LYS  14           HZ1      LYS  14  -8.885  -8.929   4.820
  100    HZ2  LYS  14           HZ2      LYS  14 -10.513  -8.874   4.337
  101    HZ3  LYS  14           HZ3      LYS  14  -9.700  -7.443   4.763
  102    H    ALA  15           HN       ALA  15  -7.815  -3.765  -0.989
  103    HA   ALA  15           HA       ALA  15 -10.481  -3.112  -1.570
  104    HB1  ALA  15           HB1      ALA  15  -8.730  -1.572  -0.603
  105    HB2  ALA  15           HB2      ALA  15  -9.692  -0.865  -1.902
  106    HB3  ALA  15           HB3      ALA  15  -8.054  -1.432  -2.226
  107    H    ASP  16           HN       ASP  16  -7.687  -3.589  -3.655
  108    HA   ASP  16           HA       ASP  16  -8.836  -2.714  -6.073
  109    HB2  ASP  16           HB2      ASP  16  -6.424  -3.151  -5.803
  110    HB3  ASP  16           HB1      ASP  16  -6.759  -4.876  -5.643
  111    H    GLU  17           HN       GLU  17  -8.790  -5.920  -4.519
  112    HA   GLU  17           HA       GLU  17 -10.114  -7.304  -6.593
  113    HB2  GLU  17           HB2      GLU  17  -8.860  -8.422  -4.774
  114    HB3  GLU  17           HB1      GLU  17 -10.086  -7.892  -3.619
  115    HG2  GLU  17           HG2      GLU  17 -11.801  -9.135  -4.844
  116    HG3  GLU  17           HG1      GLU  17 -10.609  -9.644  -6.037
  117    H    LEU  18           HN       LEU  18 -11.271  -5.586  -3.719
  118    HA   LEU  18           HA       LEU  18 -13.986  -6.305  -3.920
  119    HB2  LEU  18           HB2      LEU  18 -12.641  -3.889  -2.727
  120    HB3  LEU  18           HB1      LEU  18 -14.371  -4.209  -2.579
  121    HG   LEU  18           HG       LEU  18 -12.219  -6.179  -1.750
  122   HD11  LEU  18          HD11      LEU  18 -12.999  -5.472   0.595
  123   HD12  LEU  18          HD12      LEU  18 -13.676  -4.050  -0.196
  124   HD13  LEU  18          HD13      LEU  18 -11.943  -4.360  -0.273
  125   HD21  LEU  18          HD21      LEU  18 -14.147  -7.474  -1.981
  126   HD22  LEU  18          HD22      LEU  18 -15.229  -6.131  -1.614
  127   HD23  LEU  18          HD23      LEU  18 -14.341  -6.933  -0.317
  128    H    GLY  19           HN       GLY  19 -12.154  -3.626  -5.297
  129    HA2  GLY  19           HA2      GLY  19 -12.826  -2.959  -7.599
  130    HA3  GLY  19           HA1      GLY  19 -14.490  -2.960  -7.015
  131    H1   SER   1           HN       SER   1 -11.348  -1.556  -5.974
  132    HA   SER   1           HA       SER   1 -12.541   1.112  -5.991
  133    HB2  SER   1           HB2      SER   1 -11.277  -0.050  -3.517
  134    HB3  SER   1           HB1      SER   1 -11.880   1.593  -3.727
  135    HG   SER   1           HG       SER   1 -13.652  -0.404  -4.414
  136    HA   PRO   2           HA       PRO   2  -8.103   0.684  -7.486
  137    HB2  PRO   2           HB2      PRO   2  -8.497   2.481  -9.599
  138    HB3  PRO   2           HB1      PRO   2  -8.668   0.716  -9.728
  139    HG2  PRO   2           HG2      PRO   2 -10.775   2.798  -9.337
  140    HG3  PRO   2           HG1      PRO   2 -10.799   1.353 -10.364
  141    HD2  PRO   2           HD2      PRO   2 -12.090   1.409  -8.034
  142    HD3  PRO   2           HD1      PRO   2 -11.271  -0.070  -8.572
  143    H    GLU   3           HN       GLU   3 -10.199   3.508  -7.059
  144    HA   GLU   3           HA       GLU   3  -8.121   5.441  -6.785
  145    HB2  GLU   3           HB2      GLU   3 -10.998   5.367  -5.830
  146    HB3  GLU   3           HB1      GLU   3  -9.952   6.779  -5.663
  147    HG2  GLU   3           HG2      GLU   3  -9.698   6.989  -8.026
  148    HG3  GLU   3           HG1      GLU   3 -10.427   5.405  -8.313
  149    H    GLU   4           HN       GLU   4  -9.894   3.396  -4.482
  150    HA   GLU   4           HA       GLU   4  -8.665   4.510  -2.160
  151    HB2  GLU   4           HB2      GLU   4 -10.795   3.216  -2.118
  152    HB3  GLU   4           HB1      GLU   4  -9.885   1.761  -2.525
  153    HG2  GLU   4           HG2      GLU   4 -10.155   1.778  -0.136
  154    HG3  GLU   4           HG1      GLU   4  -8.476   2.186  -0.466
  155    H    ARG   5           HN       ARG   5  -7.944   1.799  -4.311
  156    HA   ARG   5           HA       ARG   5  -5.839   0.687  -2.825
  157    HB2  ARG   5           HB2      ARG   5  -6.696  -0.616  -4.598
  158    HB3  ARG   5           HB1      ARG   5  -6.530   0.698  -5.759
  159    HG2  ARG   5           HG2      ARG   5  -3.968  -0.149  -4.471
  160    HG3  ARG   5           HG1      ARG   5  -4.721  -1.359  -5.519
  161    HD2  ARG   5           HD2      ARG   5  -4.833   0.244  -7.366
  162    HD3  ARG   5           HD1      ARG   5  -4.162   1.513  -6.343
  163    HE   ARG   5           HE       ARG   5  -2.048   0.528  -6.571
  164   HH11  ARG   5          HH11      ARG   5  -0.625  -0.933  -7.560
  165   HH12  ARG   5          HH12      ARG   5  -1.254  -2.306  -8.408
  166   HH21  ARG   5          HH21      ARG   5  -4.568  -1.516  -7.758
  167   HH22  ARG   5          HH22      ARG   5  -3.489  -2.636  -8.521
  168    H    ALA   6           HN       ALA   6  -5.902   3.247  -5.287
  169    HA   ALA   6           HA       ALA   6  -3.135   3.598  -5.539
  170    HB1  ALA   6           HB1      ALA   6  -3.675   5.793  -6.459
  171    HB2  ALA   6           HB2      ALA   6  -5.289   5.713  -5.754
  172    HB3  ALA   6           HB3      ALA   6  -4.837   4.602  -7.047
  173    H    GLN   7           HN       GLN   7  -5.476   5.129  -3.360
  174    HA   GLN   7           HA       GLN   7  -3.578   6.829  -2.051
  175    HB2  GLN   7           HB2      GLN   7  -6.268   5.739  -1.165
  176    HB3  GLN   7           HB1      GLN   7  -5.355   6.950  -0.267
  177    HG2  GLN   7           HG2      GLN   7  -6.249   7.253  -3.149
  178    HG3  GLN   7           HG1      GLN   7  -7.083   7.959  -1.763
  179   HE21  GLN   7          HE21      GLN   7  -5.131   8.926  -4.170
  180   HE22  GLN   7          HE22      GLN   7  -4.189  10.092  -3.367
  181    H    LEU   8           HN       LEU   8  -4.794   3.567  -1.365
  182    HA   LEU   8           HA       LEU   8  -3.428   3.265   1.106
  183    HB2  LEU   8           HB2      LEU   8  -4.540   1.263  -0.853
  184    HB3  LEU   8           HB1      LEU   8  -3.803   0.811   0.685
  185    HG   LEU   8           HG       LEU   8  -6.096   2.777   0.449
  186   HD11  LEU   8          HD11      LEU   8  -7.515   0.917   1.239
  187   HD12  LEU   8          HD12      LEU   8  -6.134  -0.170   1.124
  188   HD13  LEU   8          HD13      LEU   8  -6.796   0.566  -0.334
  189   HD21  LEU   8          HD21      LEU   8  -5.181   3.188   2.561
  190   HD22  LEU   8          HD22      LEU   8  -4.553   1.550   2.734
  191   HD23  LEU   8          HD23      LEU   8  -6.273   1.867   2.966
  192    H    CYS   9           HN       CYS   9  -2.592   2.567  -2.233
  193    HA   CYS   9           HA       CYS   9  -0.239   1.110  -1.809
  194    HB2  CYS   9           HB2      CYS   9  -1.506   1.590  -4.015
  195    HB3  CYS   9           HB1      CYS   9  -0.580   3.090  -4.057
  196    H    THR  10           HN       THR  10  -0.846   4.592  -1.959
  197    HA   THR  10           HA       THR  10   1.853   5.461  -1.810
  198    HB   THR  10           HB       THR  10  -0.663   6.792  -0.828
  199    HG1  THR  10           HG1      THR  10   0.737   7.316  -3.212
  200   HG21  THR  10          HG21      THR  10   2.137   7.795  -1.274
  201   HG22  THR  10          HG22      THR  10   1.151   7.918   0.184
  202   HG23  THR  10          HG23      THR  10   0.742   8.875  -1.240
  203    H    ALA  11           HN       ALA  11  -0.583   4.801   0.702
  204    HA   ALA  11           HA       ALA  11   0.997   5.588   2.901
  205    HB1  ALA  11           HB1      ALA  11  -0.592   4.440   4.250
  206    HB2  ALA  11           HB2      ALA  11  -1.005   3.329   2.944
  207    HB3  ALA  11           HB3      ALA  11  -1.501   5.018   2.853
  208    H    ALA  12           HN       ALA  12   0.595   2.426   1.306
  209    HA   ALA  12           HA       ALA  12   2.359   1.009   3.026
  210    HB1  ALA  12           HB1      ALA  12   0.606   0.105   1.332
  211    HB2  ALA  12           HB2      ALA  12   2.106  -0.788   1.544
  212    HB3  ALA  12           HB3      ALA  12   1.896   0.262   0.145
  213    H    GLU  13           HN       GLU  13   2.797   2.632  -0.097
  214    HA   GLU  13           HA       GLU  13   5.519   1.925  -0.451
  215    HB2  GLU  13           HB2      GLU  13   4.105   2.720  -2.292
  216    HB3  GLU  13           HB1      GLU  13   3.982   4.315  -1.531
  217    HG2  GLU  13           HG2      GLU  13   6.440   4.585  -1.710
  218    HG3  GLU  13           HG1      GLU  13   6.573   2.977  -2.418
  219    H    LYS  14           HN       LYS  14   3.941   4.759   0.954
  220    HA   LYS  14           HA       LYS  14   6.292   6.213   1.515
  221    HB2  LYS  14           HB2      LYS  14   4.086   7.237   1.472
  222    HB3  LYS  14           HB1      LYS  14   3.593   6.300   2.881
  223    HG2  LYS  14           HG2      LYS  14   5.447   7.373   4.198
  224    HG3  LYS  14           HG1      LYS  14   5.862   8.331   2.777
  225    HD2  LYS  14           HD2      LYS  14   3.096   8.380   3.973
  226    HD3  LYS  14           HD1      LYS  14   4.372   9.447   4.552
  227    HE2  LYS  14           HE2      LYS  14   4.669  10.230   2.158
  228    HE3  LYS  14           HE1      LYS  14   3.218   9.316   1.751
  229    HZ1  LYS  14           HZ1      LYS  14   2.362  11.359   2.211
  230    HZ2  LYS  14           HZ2      LYS  14   3.498  11.701   3.427
  231    HZ3  LYS  14           HZ3      LYS  14   2.225  10.618   3.730
  232    H    ALA  15           HN       ALA  15   4.403   3.895   3.409
  233    HA   ALA  15           HA       ALA  15   5.809   4.160   5.824
  234    HB1  ALA  15           HB1      ALA  15   3.612   2.946   5.458
  235    HB2  ALA  15           HB2      ALA  15   4.777   2.090   6.469
  236    HB3  ALA  15           HB3      ALA  15   4.549   1.612   4.786
  237    H    ASP  16           HN       ASP  16   6.386   2.159   2.989
  238    HA   ASP  16           HA       ASP  16   8.463   0.568   4.036
  239    HB2  ASP  16           HB2      ASP  16   7.328   0.074   1.903
  240    HB3  ASP  16           HB1      ASP  16   8.060   1.510   1.186
  241    H    GLU  17           HN       GLU  17   8.521   3.714   2.369
  242    HA   GLU  17           HA       GLU  17  11.327   3.987   2.283
  243    HB2  GLU  17           HB2      GLU  17   9.790   5.345   0.913
  244    HB3  GLU  17           HB1      GLU  17   9.196   6.140   2.373
  245    HG2  GLU  17           HG2      GLU  17  11.440   6.992   2.844
  246    HG3  GLU  17           HG1      GLU  17  12.077   6.169   1.422
  247    H    LEU  18           HN       LEU  18   8.891   4.953   4.664
  248    HA   LEU  18           HA       LEU  18  10.587   6.423   6.361
  249    HB2  LEU  18           HB2      LEU  18   8.047   4.902   6.901
  250    HB3  LEU  18           HB1      LEU  18   8.856   5.898   8.114
  251    HG   LEU  18           HG       LEU  18   8.011   6.921   5.385
  252   HD11  LEU  18          HD11      LEU  18   6.237   8.125   6.817
  253   HD12  LEU  18          HD12      LEU  18   6.588   6.906   8.041
  254   HD13  LEU  18          HD13      LEU  18   5.975   6.418   6.461
  255   HD21  LEU  18          HD21      LEU  18   9.607   8.456   6.119
  256   HD22  LEU  18          HD22      LEU  18   9.278   8.154   7.825
  257   HD23  LEU  18          HD23      LEU  18   8.167   9.136   6.870
  258    H    GLY  19           HN       GLY  19   9.760   2.998   6.264
  259    HA2  GLY  19           HA2      GLY  19  11.607   1.441   6.821
  260    HA3  GLY  19           HA1      GLY  19  11.932   2.460   8.223
  261   HB11  B74 100          HB11      0AA 100   2.071  -2.838  -0.667
  262   HB12  B74 100          HB12      0AA 100   3.257  -4.017  -1.237
  263    HG   B74 100           HG       0AA 100   0.618  -1.649  -2.172
  264    HE1  B74 100           HE1      0AA 100   3.599  -4.402  -3.594
  265    HE2  B74 100           HE2      0AA 100   1.852  -1.526  -6.286
  266    HZ   B74 100           HZ       0AA 100   3.473  -3.363  -5.853
  267   HB21  B74 100          HB21      0AA 100  -0.751  -0.529  -3.846
  268   HB22  B74 100          HB22      0AA 100  -0.314  -0.541  -5.557
  Start of MODEL   10
    1    H1   SER   1           HN       SER   1   8.323   2.770   6.044
    2    HA   SER   1           HA       SER   1   8.088   1.310   8.595
    3    HB2  SER   1           HB2      SER   1   5.765   2.674   7.218
    4    HB3  SER   1           HB1      SER   1   5.689   1.689   8.676
    5    HG   SER   1           HG       SER   1   7.568   3.563   8.971
    6    HA   PRO   2           HA       PRO   2   7.939  -1.331   4.719
    7    HB2  PRO   2           HB2      PRO   2   9.292  -3.116   6.728
    8    HB3  PRO   2           HB1      PRO   2   9.680  -2.846   5.015
    9    HG2  PRO   2           HG2      PRO   2  11.162  -1.766   6.936
   10    HG3  PRO   2           HG1      PRO   2  10.805  -0.864   5.448
   11    HD2  PRO   2           HD2      PRO   2   9.629  -0.527   8.189
   12    HD3  PRO   2           HD1      PRO   2  10.000   0.705   6.958
   13    H    GLU   3           HN       GLU   3   7.292  -2.054   8.145
   14    HA   GLU   3           HA       GLU   3   5.645  -4.333   7.749
   15    HB2  GLU   3           HB2      GLU   3   5.779  -2.284   9.972
   16    HB3  GLU   3           HB1      GLU   3   4.764  -3.730  10.040
   17    HG2  GLU   3           HG2      GLU   3   6.652  -5.180   9.916
   18    HG3  GLU   3           HG1      GLU   3   7.729  -3.851   9.461
   19    H    GLU   4           HN       GLU   4   4.919  -0.863   7.941
   20    HA   GLU   4           HA       GLU   4   2.082  -1.136   7.769
   21    HB2  GLU   4           HB2      GLU   4   3.969   1.125   7.125
   22    HB3  GLU   4           HB1      GLU   4   2.218   1.272   6.965
   23    HG2  GLU   4           HG2      GLU   4   1.907   0.754   9.306
   24    HG3  GLU   4           HG1      GLU   4   3.634   0.430   9.509
   25    H    ARG   5           HN       ARG   5   4.669  -0.828   5.371
   26    HA   ARG   5           HA       ARG   5   3.064  -0.477   3.098
   27    HB2  ARG   5           HB2      ARG   5   5.391  -0.106   2.853
   28    HB3  ARG   5           HB1      ARG   5   5.801  -1.676   3.537
   29    HG2  ARG   5           HG2      ARG   5   4.058  -1.826   1.102
   30    HG3  ARG   5           HG1      ARG   5   5.644  -1.141   0.813
   31    HD2  ARG   5           HD2      ARG   5   6.716  -3.090   1.886
   32    HD3  ARG   5           HD1      ARG   5   5.144  -3.785   2.228
   33    HE   ARG   5           HE       ARG   5   5.436  -3.212  -0.564
   34   HH11  ARG   5          HH11      ARG   5   5.692  -4.992  -1.946
   35   HH12  ARG   5          HH12      ARG   5   6.145  -6.531  -1.294
   36   HH21  ARG   5          HH21      ARG   5   6.284  -5.398   1.981
   37   HH22  ARG   5          HH22      ARG   5   6.481  -6.761   0.931
   38    H    ALA   6           HN       ALA   6   4.285  -3.449   4.646
   39    HA   ALA   6           HA       ALA   6   3.254  -5.260   2.763
   40    HB1  ALA   6           HB1      ALA   6   3.476  -5.812   5.725
   41    HB2  ALA   6           HB2      ALA   6   4.894  -5.701   4.683
   42    HB3  ALA   6           HB3      ALA   6   3.678  -6.945   4.389
   43    H    GLN   7           HN       GLN   7   1.855  -4.013   5.792
   44    HA   GLN   7           HA       GLN   7  -0.596  -5.477   5.535
   45    HB2  GLN   7           HB2      GLN   7   0.103  -2.986   7.114
   46    HB3  GLN   7           HB1      GLN   7  -1.415  -3.868   7.271
   47    HG2  GLN   7           HG2      GLN   7   1.327  -5.081   7.704
   48    HG3  GLN   7           HG1      GLN   7   0.261  -4.531   8.999
   49   HE21  GLN   7          HE21      GLN   7   1.213  -7.321   7.565
   50   HE22  GLN   7          HE22      GLN   7  -0.219  -8.235   7.705
   51    H    LEU   8           HN       LEU   8   0.384  -2.191   4.669
   52    HA   LEU   8           HA       LEU   8  -2.147  -1.309   3.792
   53    HB2  LEU   8           HB2      LEU   8   0.631  -0.378   3.162
   54    HB3  LEU   8           HB1      LEU   8  -0.812   0.429   2.564
   55    HG   LEU   8           HG       LEU   8  -0.383  -0.132   5.511
   56   HD11  LEU   8          HD11      LEU   8   0.234   2.413   3.992
   57   HD12  LEU   8          HD12      LEU   8   1.450   1.298   4.608
   58   HD13  LEU   8          HD13      LEU   8   0.404   2.168   5.728
   59   HD21  LEU   8          HD21      LEU   8  -2.329   1.499   3.883
   60   HD22  LEU   8          HD22      LEU   8  -1.964   1.947   5.545
   61   HD23  LEU   8          HD23      LEU   8  -2.642   0.372   5.200
   62    H    CYS   9           HN       CYS   9   0.522  -2.914   2.180
   63    HA   CYS   9           HA       CYS   9  -0.297  -2.628  -0.470
   64    HB2  CYS   9           HB2      CYS   9   1.889  -3.612   0.368
   65    HB3  CYS   9           HB1      CYS   9   1.013  -5.104   0.662
   66    H    THR  10           HN       THR  10  -1.155  -5.122   1.936
   67    HA   THR  10           HA       THR  10  -2.775  -6.681   0.183
   68    HB   THR  10           HB       THR  10  -3.874  -7.346   2.457
   69    HG1  THR  10           HG1      THR  10  -2.205  -5.312   3.132
   70   HG21  THR  10          HG21      THR  10  -2.349  -8.847   1.504
   71   HG22  THR  10          HG22      THR  10  -1.704  -8.538   3.120
   72   HG23  THR  10          HG23      THR  10  -0.985  -7.743   1.717
   73    H    ALA  11           HN       ALA  11  -3.445  -3.843   2.162
   74    HA   ALA  11           HA       ALA  11  -6.263  -3.885   1.966
   75    HB1  ALA  11           HB1      ALA  11  -4.774  -2.377   3.415
   76    HB2  ALA  11           HB2      ALA  11  -6.191  -1.624   2.684
   77    HB3  ALA  11           HB3      ALA  11  -4.595  -1.366   1.981
   78    H    ALA  12           HN       ALA  12  -3.790  -2.446  -0.151
   79    HA   ALA  12           HA       ALA  12  -5.658  -1.282  -1.967
   80    HB1  ALA  12           HB1      ALA  12  -3.337  -0.494  -1.806
   81    HB2  ALA  12           HB2      ALA  12  -3.702  -1.020  -3.449
   82    HB3  ALA  12           HB3      ALA  12  -2.760  -2.059  -2.378
   83    H    GLU  13           HN       GLU  13  -3.697  -4.251  -2.097
   84    HA   GLU  13           HA       GLU  13  -4.693  -5.128  -4.597
   85    HB2  GLU  13           HB2      GLU  13  -2.607  -5.986  -3.532
   86    HB3  GLU  13           HB1      GLU  13  -3.599  -6.809  -2.323
   87    HG2  GLU  13           HG2      GLU  13  -3.031  -8.402  -4.067
   88    HG3  GLU  13           HG1      GLU  13  -4.747  -8.044  -4.188
   89    H    LYS  14           HN       LYS  14  -5.658  -5.853  -1.261
   90    HA   LYS  14           HA       LYS  14  -7.667  -7.747  -1.895
   91    HB2  LYS  14           HB2      LYS  14  -6.678  -7.415   0.364
   92    HB3  LYS  14           HB1      LYS  14  -7.541  -5.886   0.499
   93    HG2  LYS  14           HG2      LYS  14  -9.697  -7.134   0.133
   94    HG3  LYS  14           HG1      LYS  14  -8.762  -8.632   0.146
   95    HD2  LYS  14           HD2      LYS  14  -8.633  -6.667   2.431
   96    HD3  LYS  14           HD1      LYS  14  -9.868  -7.922   2.364
   97    HE2  LYS  14           HE2      LYS  14  -8.005  -9.615   2.107
   98    HE3  LYS  14           HE1      LYS  14  -6.862  -8.314   2.425
   99    HZ1  LYS  14           HZ1      LYS  14  -7.309  -9.406   4.454
  100    HZ2  LYS  14           HZ2      LYS  14  -8.989  -9.299   4.224
  101    HZ3  LYS  14           HZ3      LYS  14  -8.076  -7.895   4.517
  102    H    ALA  15           HN       ALA  15  -7.736  -4.218  -1.468
  103    HA   ALA  15           HA       ALA  15 -10.522  -3.881  -1.623
  104    HB1  ALA  15           HB1      ALA  15  -8.244  -2.042  -2.388
  105    HB2  ALA  15           HB2      ALA  15  -9.139  -2.056  -0.868
  106    HB3  ALA  15           HB3      ALA  15  -9.934  -1.539  -2.356
  107    H    ASP  16           HN       ASP  16  -8.042  -4.021  -4.127
  108    HA   ASP  16           HA       ASP  16  -9.688  -3.337  -6.324
  109    HB2  ASP  16           HB2      ASP  16  -7.167  -3.438  -6.326
  110    HB3  ASP  16           HB1      ASP  16  -7.306  -5.197  -6.386
  111    H    GLU  17           HN       GLU  17  -8.928  -6.431  -4.774
  112    HA   GLU  17           HA       GLU  17 -10.240  -8.104  -6.643
  113    HB2  GLU  17           HB2      GLU  17  -9.629  -8.456  -3.700
  114    HB3  GLU  17           HB1      GLU  17 -10.306  -9.729  -4.708
  115    HG2  GLU  17           HG2      GLU  17  -8.381  -9.640  -6.201
  116    HG3  GLU  17           HG1      GLU  17  -7.712  -8.283  -5.291
  117    H    LEU  18           HN       LEU  18 -11.356  -6.438  -3.725
  118    HA   LEU  18           HA       LEU  18 -13.938  -7.574  -3.620
  119    HB2  LEU  18           HB2      LEU  18 -12.890  -4.926  -2.628
  120    HB3  LEU  18           HB1      LEU  18 -14.501  -5.540  -2.272
  121    HG   LEU  18           HG       LEU  18 -11.945  -7.052  -1.658
  122   HD11  LEU  18          HD11      LEU  18 -13.725  -5.561   0.275
  123   HD12  LEU  18          HD12      LEU  18 -12.232  -4.890  -0.377
  124   HD13  LEU  18          HD13      LEU  18 -12.184  -6.340   0.624
  125   HD21  LEU  18          HD21      LEU  18 -13.596  -8.683  -1.676
  126   HD22  LEU  18          HD22      LEU  18 -14.881  -7.562  -1.232
  127   HD23  LEU  18          HD23      LEU  18 -13.749  -8.136  -0.018
  128    H    GLY  19           HN       GLY  19 -12.669  -4.706  -5.236
  129    HA2  GLY  19           HA2      GLY  19 -13.709  -4.290  -7.480
  130    HA3  GLY  19           HA1      GLY  19 -15.266  -4.420  -6.670
  131    H1   SER   1           HN       SER   1 -12.198  -2.682  -6.006
  132    HA   SER   1           HA       SER   1 -13.634  -0.132  -6.100
  133    HB2  SER   1           HB2      SER   1 -12.042  -0.977  -3.670
  134    HB3  SER   1           HB1      SER   1 -12.888   0.550  -3.904
  135    HG   SER   1           HG       SER   1 -14.636  -1.341  -4.378
  136    HA   PRO   2           HA       PRO   2  -9.353  -0.284  -8.028
  137    HB2  PRO   2           HB2      PRO   2 -10.850   1.624  -9.808
  138    HB3  PRO   2           HB1      PRO   2  -9.720   0.321 -10.243
  139    HG2  PRO   2           HG2      PRO   2 -12.341   0.024 -10.573
  140    HG3  PRO   2           HG1      PRO   2 -11.333  -1.331 -10.020
  141    HD2  PRO   2           HD2      PRO   2 -13.214   0.389  -8.439
  142    HD3  PRO   2           HD1      PRO   2 -12.846  -1.343  -8.258
  143    H    GLU   3           HN       GLU   3 -11.590   2.401  -7.358
  144    HA   GLU   3           HA       GLU   3  -9.676   4.495  -7.325
  145    HB2  GLU   3           HB2      GLU   3 -12.351   4.173  -5.946
  146    HB3  GLU   3           HB1      GLU   3 -11.409   5.669  -5.919
  147    HG2  GLU   3           HG2      GLU   3 -11.544   5.915  -8.286
  148    HG3  GLU   3           HG1      GLU   3 -12.156   4.267  -8.489
  149    H    GLU   4           HN       GLU   4 -10.905   2.342  -4.777
  150    HA   GLU   4           HA       GLU   4  -9.463   3.549  -2.634
  151    HB2  GLU   4           HB2      GLU   4 -10.615   0.794  -3.033
  152    HB3  GLU   4           HB1      GLU   4  -9.810   1.279  -1.541
  153    HG2  GLU   4           HG2      GLU   4 -11.392   3.076  -1.208
  154    HG3  GLU   4           HG1      GLU   4 -12.149   2.762  -2.774
  155    H    ARG   5           HN       ARG   5  -8.700   0.973  -4.942
  156    HA   ARG   5           HA       ARG   5  -6.299   0.099  -3.783
  157    HB2  ARG   5           HB2      ARG   5  -7.211  -1.233  -5.516
  158    HB3  ARG   5           HB1      ARG   5  -7.350   0.137  -6.615
  159    HG2  ARG   5           HG2      ARG   5  -4.556  -0.382  -5.660
  160    HG3  ARG   5           HG1      ARG   5  -5.244  -1.680  -6.622
  161    HD2  ARG   5           HD2      ARG   5  -5.836  -0.075  -8.409
  162    HD3  ARG   5           HD1      ARG   5  -5.176   1.241  -7.461
  163    HE   ARG   5           HE       ARG   5  -3.241  -0.836  -7.834
  164   HH11  ARG   5          HH11      ARG   5  -1.531  -0.388  -9.256
  165   HH12  ARG   5          HH12      ARG   5  -1.663   0.929 -10.371
  166   HH21  ARG   5          HH21      ARG   5  -4.837   1.850  -9.320
  167   HH22  ARG   5          HH22      ARG   5  -3.534   2.197 -10.408
  168    H    ALA   6           HN       ALA   6  -6.929   2.640  -6.209
  169    HA   ALA   6           HA       ALA   6  -4.258   3.359  -6.670
  170    HB1  ALA   6           HB1      ALA   6  -6.571   5.302  -6.695
  171    HB2  ALA   6           HB2      ALA   6  -6.354   4.084  -7.952
  172    HB3  ALA   6           HB3      ALA   6  -5.123   5.320  -7.700
  173    H    GLN   7           HN       GLN   7  -6.630   4.642  -4.350
  174    HA   GLN   7           HA       GLN   7  -4.816   6.542  -3.203
  175    HB2  GLN   7           HB2      GLN   7  -7.395   5.337  -2.166
  176    HB3  GLN   7           HB1      GLN   7  -6.532   6.658  -1.378
  177    HG2  GLN   7           HG2      GLN   7  -7.549   6.728  -4.232
  178    HG3  GLN   7           HG1      GLN   7  -8.368   7.472  -2.857
  179   HE21  GLN   7          HE21      GLN   7  -6.543   8.368  -5.402
  180   HE22  GLN   7          HE22      GLN   7  -5.652   9.647  -4.713
  181    H    LEU   8           HN       LEU   8  -5.779   3.249  -2.369
  182    HA   LEU   8           HA       LEU   8  -4.371   3.136   0.087
  183    HB2  LEU   8           HB2      LEU   8  -5.402   1.011  -1.758
  184    HB3  LEU   8           HB1      LEU   8  -4.614   0.645  -0.231
  185    HG   LEU   8           HG       LEU   8  -6.979   2.533  -0.413
  186   HD11  LEU   8          HD11      LEU   8  -6.987  -0.431   0.207
  187   HD12  LEU   8          HD12      LEU   8  -7.620   0.294  -1.268
  188   HD13  LEU   8          HD13      LEU   8  -8.381   0.643   0.284
  189   HD21  LEU   8          HD21      LEU   8  -5.468   1.167   1.812
  190   HD22  LEU   8          HD22      LEU   8  -7.148   1.643   2.032
  191   HD23  LEU   8          HD23      LEU   8  -5.943   2.856   1.660
  192    H    CYS   9           HN       CYS   9  -3.523   2.403  -3.226
  193    HA   CYS   9           HA       CYS   9  -1.138   1.008  -2.796
  194    HB2  CYS   9           HB2      CYS   9  -2.335   1.370  -5.010
  195    HB3  CYS   9           HB1      CYS   9  -1.609   2.967  -5.049
  196    H    THR  10           HN       THR  10  -1.716   4.505  -3.107
  197    HA   THR  10           HA       THR  10   0.983   5.320  -2.910
  198    HB   THR  10           HB       THR  10  -0.165   7.488  -1.987
  199    HG1  THR  10           HG1      THR  10  -2.212   5.697  -2.193
  200   HG21  THR  10          HG21      THR  10   0.576   7.471  -4.224
  201   HG22  THR  10          HG22      THR  10  -1.131   7.915  -4.317
  202   HG23  THR  10          HG23      THR  10  -0.627   6.269  -4.703
  203    H    ALA  11           HN       ALA  11  -1.444   4.577  -0.464
  204    HA   ALA  11           HA       ALA  11  -0.077   5.594   1.778
  205    HB1  ALA  11           HB1      ALA  11  -2.483   4.713   1.628
  206    HB2  ALA  11           HB2      ALA  11  -1.579   4.308   3.087
  207    HB3  ALA  11           HB3      ALA  11  -1.785   3.104   1.814
  208    H    ALA  12           HN       ALA  12   0.028   2.397   0.217
  209    HA   ALA  12           HA       ALA  12   1.849   1.261   2.089
  210    HB1  ALA  12           HB1      ALA  12   0.405  -0.110   0.625
  211    HB2  ALA  12           HB2      ALA  12   2.106  -0.526   0.421
  212    HB3  ALA  12           HB3      ALA  12   1.293   0.474  -0.781
  213    H    GLU  13           HN       GLU  13   2.281   2.639  -1.164
  214    HA   GLU  13           HA       GLU  13   5.092   2.278  -1.238
  215    HB2  GLU  13           HB2      GLU  13   3.672   2.680  -3.246
  216    HB3  GLU  13           HB1      GLU  13   3.427   4.344  -2.700
  217    HG2  GLU  13           HG2      GLU  13   5.234   4.371  -4.298
  218    HG3  GLU  13           HG1      GLU  13   5.945   4.630  -2.714
  219    H    LYS  14           HN       LYS  14   3.059   5.034  -0.318
  220    HA   LYS  14           HA       LYS  14   5.171   6.855   0.185
  221    HB2  LYS  14           HB2      LYS  14   2.784   7.488  -0.099
  222    HB3  LYS  14           HB1      LYS  14   2.424   6.774   1.469
  223    HG2  LYS  14           HG2      LYS  14   4.129   8.318   2.501
  224    HG3  LYS  14           HG1      LYS  14   4.315   9.070   0.913
  225    HD2  LYS  14           HD2      LYS  14   1.621   8.839   2.251
  226    HD3  LYS  14           HD1      LYS  14   2.691  10.205   2.559
  227    HE2  LYS  14           HE2      LYS  14   2.777  10.585   0.060
  228    HE3  LYS  14           HE1      LYS  14   1.524   9.361  -0.107
  229    HZ1  LYS  14           HZ1      LYS  14   0.499  11.478  -0.023
  230    HZ2  LYS  14           HZ2      LYS  14   1.335  11.899   1.394
  231    HZ3  LYS  14           HZ3      LYS  14   0.154  10.679   1.433
  232    H    ALA  15           HN       ALA  15   3.455   4.520   2.241
  233    HA   ALA  15           HA       ALA  15   4.613   5.260   4.694
  234    HB1  ALA  15           HB1      ALA  15   3.553   2.607   3.700
  235    HB2  ALA  15           HB2      ALA  15   2.699   3.797   4.683
  236    HB3  ALA  15           HB3      ALA  15   4.048   2.890   5.369
  237    H    ASP  16           HN       ASP  16   5.675   3.022   2.182
  238    HA   ASP  16           HA       ASP  16   7.894   1.936   3.562
  239    HB2  ASP  16           HB2      ASP  16   6.868   1.043   1.432
  240    HB3  ASP  16           HB1      ASP  16   7.685   2.353   0.576
  241    H    GLU  17           HN       GLU  17   7.532   4.774   1.469
  242    HA   GLU  17           HA       GLU  17  10.269   5.479   1.337
  243    HB2  GLU  17           HB2      GLU  17   7.747   7.137   1.101
  244    HB3  GLU  17           HB1      GLU  17   9.359   7.771   0.791
  245    HG2  GLU  17           HG2      GLU  17   9.724   6.127  -0.969
  246    HG3  GLU  17           HG1      GLU  17   8.166   5.374  -0.619
  247    H    LEU  18           HN       LEU  18   7.692   6.303   3.622
  248    HA   LEU  18           HA       LEU  18   9.134   8.202   5.130
  249    HB2  LEU  18           HB2      LEU  18   6.843   6.391   5.878
  250    HB3  LEU  18           HB1      LEU  18   7.469   7.657   6.928
  251    HG   LEU  18           HG       LEU  18   6.480   8.138   4.102
  252   HD11  LEU  18          HD11      LEU  18   5.083   8.749   6.712
  253   HD12  LEU  18          HD12      LEU  18   4.693   7.368   5.692
  254   HD13  LEU  18          HD13      LEU  18   4.450   9.005   5.088
  255   HD21  LEU  18          HD21      LEU  18   7.853   9.958   4.574
  256   HD22  LEU  18          HD22      LEU  18   7.558   9.882   6.309
  257   HD23  LEU  18          HD23      LEU  18   6.336  10.539   5.232
  258    H    GLY  19           HN       GLY  19   8.825   4.706   5.404
  259    HA2  GLY  19           HA2      GLY  19  10.948   3.591   6.134
  260    HA3  GLY  19           HA1      GLY  19  10.965   4.729   7.476
  261   HB11  B74 100          HB11      0AA 100   1.944  -2.367  -1.544
  262   HB12  B74 100          HB12      0AA 100   3.249  -3.420  -2.106
  263    HG   B74 100           HG       0AA 100   0.155  -1.622  -3.042
  264    HE1  B74 100           HE1      0AA 100   3.557  -3.860  -4.452
  265    HE2  B74 100           HE2      0AA 100   1.362  -1.331  -7.167
  266    HZ   B74 100           HZ       0AA 100   3.241  -2.904  -6.728
  267   HB21  B74 100          HB21      0AA 100  -1.295  -0.631  -4.665
  268   HB22  B74 100          HB22      0AA 100  -0.939  -0.679  -6.396
  Start of MODEL   11
    1    H1   SER   1           HN       SER   1   8.153   2.643   5.990
    2    HA   SER   1           HA       SER   1   7.992   1.265   8.607
    3    HB2  SER   1           HB2      SER   1   5.571   1.659   8.579
    4    HB3  SER   1           HB1      SER   1   6.476   3.167   8.620
    5    HG   SER   1           HG       SER   1   6.231   3.194   6.295
    6    HA   PRO   2           HA       PRO   2   7.739  -1.702   4.999
    7    HB2  PRO   2           HB2      PRO   2   8.974  -3.775   6.387
    8    HB3  PRO   2           HB1      PRO   2   9.825  -2.589   5.376
    9    HG2  PRO   2           HG2      PRO   2   9.455  -2.626   8.343
   10    HG3  PRO   2           HG1      PRO   2  10.897  -2.220   7.388
   11    HD2  PRO   2           HD2      PRO   2   9.382  -0.303   8.468
   12    HD3  PRO   2           HD1      PRO   2  10.115  -0.072   6.869
   13    H    GLU   3           HN       GLU   3   6.980  -2.090   8.422
   14    HA   GLU   3           HA       GLU   3   5.296  -4.372   8.170
   15    HB2  GLU   3           HB2      GLU   3   5.451  -2.148  10.221
   16    HB3  GLU   3           HB1      GLU   3   4.416  -3.571  10.395
   17    HG2  GLU   3           HG2      GLU   3   6.297  -5.050  10.382
   18    HG3  GLU   3           HG1      GLU   3   7.389  -3.756   9.874
   19    H    GLU   4           HN       GLU   4   4.699  -0.875   8.107
   20    HA   GLU   4           HA       GLU   4   1.872  -1.118   7.836
   21    HB2  GLU   4           HB2      GLU   4   3.788   1.127   7.193
   22    HB3  GLU   4           HB1      GLU   4   2.043   1.261   6.988
   23    HG2  GLU   4           HG2      GLU   4   1.662   0.822   9.330
   24    HG3  GLU   4           HG1      GLU   4   3.373   0.471   9.593
   25    H    ARG   5           HN       ARG   5   4.557  -0.892   5.568
   26    HA   ARG   5           HA       ARG   5   3.067  -0.610   3.220
   27    HB2  ARG   5           HB2      ARG   5   5.399  -0.292   3.082
   28    HB3  ARG   5           HB1      ARG   5   5.743  -1.843   3.839
   29    HG2  ARG   5           HG2      ARG   5   4.169  -2.015   1.311
   30    HG3  ARG   5           HG1      ARG   5   5.798  -1.400   1.122
   31    HD2  ARG   5           HD2      ARG   5   6.725  -3.354   2.273
   32    HD3  ARG   5           HD1      ARG   5   5.112  -3.977   2.563
   33    HE   ARG   5           HE       ARG   5   4.982  -4.629   0.308
   34   HH11  ARG   5          HH11      ARG   5   5.963  -5.056  -1.696
   35   HH12  ARG   5          HH12      ARG   5   7.500  -4.353  -2.070
   36   HH21  ARG   5          HH21      ARG   5   7.765  -2.675   0.954
   37   HH22  ARG   5          HH22      ARG   5   8.522  -3.005  -0.568
   38    H    ALA   6           HN       ALA   6   4.138  -3.564   4.915
   39    HA   ALA   6           HA       ALA   6   3.121  -5.375   3.029
   40    HB1  ALA   6           HB1      ALA   6   3.434  -7.034   4.683
   41    HB2  ALA   6           HB2      ALA   6   3.179  -5.887   6.000
   42    HB3  ALA   6           HB3      ALA   6   4.655  -5.812   5.037
   43    H    GLN   7           HN       GLN   7   1.629  -3.994   5.948
   44    HA   GLN   7           HA       GLN   7  -0.858  -5.374   5.604
   45    HB2  GLN   7           HB2      GLN   7  -0.149  -2.866   7.160
   46    HB3  GLN   7           HB1      GLN   7  -1.688  -3.719   7.282
   47    HG2  GLN   7           HG2      GLN   7   1.031  -4.928   7.878
   48    HG3  GLN   7           HG1      GLN   7  -0.128  -4.385   9.092
   49   HE21  GLN   7          HE21      GLN   7   0.978  -7.181   7.907
   50   HE22  GLN   7          HE22      GLN   7  -0.446  -8.116   7.896
   51    H    LEU   8           HN       LEU   8   0.303  -2.151   4.694
   52    HA   LEU   8           HA       LEU   8  -2.166  -1.178   3.719
   53    HB2  LEU   8           HB2      LEU   8   0.682  -0.404   3.164
   54    HB3  LEU   8           HB1      LEU   8  -0.689   0.450   2.464
   55    HG   LEU   8           HG       LEU   8  -0.385  -0.008   5.446
   56   HD11  LEU   8          HD11      LEU   8   0.407   2.338   5.526
   57   HD12  LEU   8          HD12      LEU   8   0.427   2.369   3.763
   58   HD13  LEU   8          HD13      LEU   8   1.515   1.292   4.638
   59   HD21  LEU   8          HD21      LEU   8  -1.880   2.158   5.336
   60   HD22  LEU   8          HD22      LEU   8  -2.623   0.587   5.088
   61   HD23  LEU   8          HD23      LEU   8  -2.238   1.604   3.702
   62    H    CYS   9           HN       CYS   9   0.501  -2.916   2.205
   63    HA   CYS   9           HA       CYS   9  -0.366  -2.726  -0.466
   64    HB2  CYS   9           HB2      CYS   9   1.878  -3.592   0.423
   65    HB3  CYS   9           HB1      CYS   9   1.053  -5.120   0.700
   66    H    THR  10           HN       THR  10  -1.110  -5.016   2.121
   67    HA   THR  10           HA       THR  10  -2.634  -6.856   0.616
   68    HB   THR  10           HB       THR  10  -2.907  -6.053   3.506
   69    HG1  THR  10           HG1      THR  10  -1.345  -7.447   3.882
   70   HG21  THR  10          HG21      THR  10  -4.871  -7.255   2.840
   71   HG22  THR  10          HG22      THR  10  -3.836  -8.386   3.713
   72   HG23  THR  10          HG23      THR  10  -3.908  -8.434   1.950
   73    H    ALA  11           HN       ALA  11  -3.558  -3.888   2.348
   74    HA   ALA  11           HA       ALA  11  -6.334  -4.112   1.960
   75    HB1  ALA  11           HB1      ALA  11  -5.286  -2.454   3.465
   76    HB2  ALA  11           HB2      ALA  11  -6.389  -1.685   2.324
   77    HB3  ALA  11           HB3      ALA  11  -4.647  -1.596   2.063
   78    H    ALA  12           HN       ALA  12  -3.828  -2.561  -0.059
   79    HA   ALA  12           HA       ALA  12  -5.623  -1.666  -2.068
   80    HB1  ALA  12           HB1      ALA  12  -3.499  -1.620  -3.492
   81    HB2  ALA  12           HB2      ALA  12  -2.652  -2.201  -2.058
   82    HB3  ALA  12           HB3      ALA  12  -3.477  -0.645  -2.024
   83    H    GLU  13           HN       GLU  13  -3.654  -4.596  -1.716
   84    HA   GLU  13           HA       GLU  13  -4.298  -5.717  -4.233
   85    HB2  GLU  13           HB2      GLU  13  -2.389  -6.466  -2.864
   86    HB3  GLU  13           HB1      GLU  13  -3.504  -7.102  -1.642
   87    HG2  GLU  13           HG2      GLU  13  -2.792  -8.939  -3.075
   88    HG3  GLU  13           HG1      GLU  13  -4.479  -8.602  -3.434
   89    H    LYS  14           HN       LYS  14  -5.696  -6.135  -1.019
   90    HA   LYS  14           HA       LYS  14  -7.679  -8.005  -1.769
   91    HB2  LYS  14           HB2      LYS  14  -6.957  -7.725   0.548
   92    HB3  LYS  14           HB1      LYS  14  -7.611  -6.090   0.561
   93    HG2  LYS  14           HG2      LYS  14  -9.867  -6.939   0.197
   94    HG3  LYS  14           HG1      LYS  14  -9.251  -8.574  -0.041
   95    HD2  LYS  14           HD2      LYS  14 -10.112  -8.483   2.194
   96    HD3  LYS  14           HD1      LYS  14  -8.355  -8.463   2.331
   97    HE2  LYS  14           HE2      LYS  14  -8.343  -6.074   2.701
   98    HE3  LYS  14           HE1      LYS  14 -10.063  -5.960   2.331
   99    HZ1  LYS  14           HZ1      LYS  14 -10.127  -6.045   4.591
  100    HZ2  LYS  14           HZ2      LYS  14  -8.722  -6.992   4.721
  101    HZ3  LYS  14           HZ3      LYS  14 -10.193  -7.706   4.262
  102    H    ALA  15           HN       ALA  15  -7.599  -4.498  -1.621
  103    HA   ALA  15           HA       ALA  15 -10.327  -3.972  -1.979
  104    HB1  ALA  15           HB1      ALA  15  -7.850  -2.429  -2.752
  105    HB2  ALA  15           HB2      ALA  15  -8.906  -2.160  -1.365
  106    HB3  ALA  15           HB3      ALA  15  -9.476  -1.795  -2.993
  107    H    ASP  16           HN       ASP  16  -7.778  -4.722  -4.284
  108    HA   ASP  16           HA       ASP  16  -9.159  -4.083  -6.653
  109    HB2  ASP  16           HB2      ASP  16  -7.009  -6.123  -6.061
  110    HB3  ASP  16           HB1      ASP  16  -7.621  -5.823  -7.687
  111    H    GLU  17           HN       GLU  17  -9.110  -7.045  -4.696
  112    HA   GLU  17           HA       GLU  17 -10.646  -8.633  -6.459
  113    HB2  GLU  17           HB2      GLU  17  -9.303  -9.572  -4.616
  114    HB3  GLU  17           HB1      GLU  17 -10.384  -8.808  -3.446
  115    HG2  GLU  17           HG2      GLU  17 -12.265 -10.105  -4.293
  116    HG3  GLU  17           HG1      GLU  17 -11.250 -10.823  -5.541
  117    H    LEU  18           HN       LEU  18 -11.504  -6.494  -3.772
  118    HA   LEU  18           HA       LEU  18 -14.253  -7.109  -3.680
  119    HB2  LEU  18           HB2      LEU  18 -12.742  -4.622  -2.906
  120    HB3  LEU  18           HB1      LEU  18 -14.459  -4.852  -2.585
  121    HG   LEU  18           HG       LEU  18 -12.282  -6.755  -1.668
  122   HD11  LEU  18          HD11      LEU  18 -13.806  -4.706  -0.047
  123   HD12  LEU  18          HD12      LEU  18 -12.165  -4.474  -0.642
  124   HD13  LEU  18          HD13      LEU  18 -12.507  -5.754   0.518
  125   HD21  LEU  18          HD21      LEU  18 -15.272  -6.661  -1.372
  126   HD22  LEU  18          HD22      LEU  18 -14.324  -7.278  -0.023
  127   HD23  LEU  18          HD23      LEU  18 -14.214  -8.050  -1.598
  128    H    GLY  19           HN       GLY  19 -12.432  -4.722  -5.538
  129    HA2  GLY  19           HA2      GLY  19 -13.139  -4.161  -7.784
  130    HA3  GLY  19           HA1      GLY  19 -14.812  -4.321  -7.263
  131    H1   SER   1           HN       SER   1 -12.075  -2.619  -5.741
  132    HA   SER   1           HA       SER   1 -13.570  -0.078  -5.999
  133    HB2  SER   1           HB2      SER   1 -12.668   0.561  -3.809
  134    HB3  SER   1           HB1      SER   1 -13.699  -0.862  -3.704
  135    HG   SER   1           HG       SER   1 -11.774  -2.127  -3.773
  136    HA   PRO   2           HA       PRO   2  -9.339   0.173  -7.993
  137    HB2  PRO   2           HB2      PRO   2 -10.191   1.973  -9.944
  138    HB3  PRO   2           HB1      PRO   2 -10.165   0.209 -10.137
  139    HG2  PRO   2           HG2      PRO   2 -12.446   1.999  -9.416
  140    HG3  PRO   2           HG1      PRO   2 -12.411   0.596 -10.505
  141    HD2  PRO   2           HD2      PRO   2 -13.418   0.393  -8.039
  142    HD3  PRO   2           HD1      PRO   2 -12.491  -0.945  -8.743
  143    H    GLU   3           HN       GLU   3 -11.681   2.633  -7.054
  144    HA   GLU   3           HA       GLU   3  -9.889   4.846  -6.986
  145    HB2  GLU   3           HB2      GLU   3 -12.497   4.269  -5.555
  146    HB3  GLU   3           HB1      GLU   3 -11.659   5.824  -5.478
  147    HG2  GLU   3           HG2      GLU   3 -11.871   6.158  -7.837
  148    HG3  GLU   3           HG1      GLU   3 -12.408   4.493  -8.087
  149    H    GLU   4           HN       GLU   4 -10.936   2.473  -4.563
  150    HA   GLU   4           HA       GLU   4  -9.436   3.631  -2.434
  151    HB2  GLU   4           HB2      GLU   4 -10.576   0.865  -2.846
  152    HB3  GLU   4           HB1      GLU   4  -9.728   1.347  -1.377
  153    HG2  GLU   4           HG2      GLU   4 -11.326   3.110  -0.956
  154    HG3  GLU   4           HG1      GLU   4 -12.127   2.819  -2.503
  155    H    ARG   5           HN       ARG   5  -8.784   1.132  -4.836
  156    HA   ARG   5           HA       ARG   5  -6.340   0.241  -3.825
  157    HB2  ARG   5           HB2      ARG   5  -7.308  -1.012  -5.565
  158    HB3  ARG   5           HB1      ARG   5  -7.505   0.400  -6.595
  159    HG2  ARG   5           HG2      ARG   5  -4.687  -0.183  -5.816
  160    HG3  ARG   5           HG1      ARG   5  -5.440  -1.408  -6.822
  161    HD2  ARG   5           HD2      ARG   5  -6.068   0.283  -8.489
  162    HD3  ARG   5           HD1      ARG   5  -5.378   1.548  -7.489
  163    HE   ARG   5           HE       ARG   5  -3.229   0.850  -8.129
  164   HH11  ARG   5          HH11      ARG   5  -1.844  -0.330  -9.492
  165   HH12  ARG   5          HH12      ARG   5  -2.461  -1.676 -10.390
  166   HH21  ARG   5          HH21      ARG   5  -5.686  -1.362  -9.150
  167   HH22  ARG   5          HH22      ARG   5  -4.639  -2.261 -10.198
  168    H    ALA   6           HN       ALA   6  -7.045   2.904  -6.087
  169    HA   ALA   6           HA       ALA   6  -4.382   3.625  -6.576
  170    HB1  ALA   6           HB1      ALA   6  -5.244   5.641  -7.467
  171    HB2  ALA   6           HB2      ALA   6  -6.664   5.588  -6.424
  172    HB3  ALA   6           HB3      ALA   6  -6.502   4.436  -7.750
  173    H    GLN   7           HN       GLN   7  -6.665   4.792  -4.118
  174    HA   GLN   7           HA       GLN   7  -4.788   6.597  -2.915
  175    HB2  GLN   7           HB2      GLN   7  -7.343   5.353  -1.849
  176    HB3  GLN   7           HB1      GLN   7  -6.452   6.649  -1.055
  177    HG2  GLN   7           HG2      GLN   7  -7.624   6.794  -3.848
  178    HG3  GLN   7           HG1      GLN   7  -8.331   7.531  -2.412
  179   HE21  GLN   7          HE21      GLN   7  -6.722   8.465  -5.060
  180   HE22  GLN   7          HE22      GLN   7  -5.748   9.708  -4.423
  181    H    LEU   8           HN       LEU   8  -5.783   3.259  -2.249
  182    HA   LEU   8           HA       LEU   8  -4.343   2.982   0.176
  183    HB2  LEU   8           HB2      LEU   8  -5.379   0.989  -1.816
  184    HB3  LEU   8           HB1      LEU   8  -4.570   0.511  -0.328
  185    HG   LEU   8           HG       LEU   8  -6.958   2.375  -0.365
  186   HD11  LEU   8          HD11      LEU   8  -8.269   0.367   0.297
  187   HD12  LEU   8          HD12      LEU   8  -6.850  -0.627  -0.029
  188   HD13  LEU   8          HD13      LEU   8  -7.629   0.254  -1.341
  189   HD21  LEU   8          HD21      LEU   8  -7.093   1.278   2.031
  190   HD22  LEU   8          HD22      LEU   8  -5.978   2.606   1.744
  191   HD23  LEU   8          HD23      LEU   8  -5.383   0.948   1.764
  192    H    CYS   9           HN       CYS   9  -3.538   2.393  -3.199
  193    HA   CYS   9           HA       CYS   9  -1.061   1.114  -2.800
  194    HB2  CYS   9           HB2      CYS   9  -2.396   1.355  -4.977
  195    HB3  CYS   9           HB1      CYS   9  -1.675   2.952  -5.111
  196    H    THR  10           HN       THR  10  -1.956   4.522  -3.043
  197    HA   THR  10           HA       THR  10   0.644   5.625  -3.068
  198    HB   THR  10           HB       THR  10  -1.915   6.767  -1.960
  199    HG1  THR  10           HG1      THR  10  -2.360   7.299  -3.952
  200   HG21  THR  10          HG21      THR  10  -0.056   8.037  -1.125
  201   HG22  THR  10          HG22      THR  10  -0.774   8.951  -2.450
  202   HG23  THR  10          HG23      THR  10   0.716   8.042  -2.711
  203    H    ALA  11           HN       ALA  11  -1.534   4.759  -0.397
  204    HA   ALA  11           HA       ALA  11   0.046   5.811   1.680
  205    HB1  ALA  11           HB1      ALA  11  -2.284   5.020   1.970
  206    HB2  ALA  11           HB2      ALA  11  -1.189   4.282   3.138
  207    HB3  ALA  11           HB3      ALA  11  -1.734   3.361   1.736
  208    H    ALA  12           HN       ALA  12   0.014   2.572   0.183
  209    HA   ALA  12           HA       ALA  12   2.068   1.499   1.823
  210    HB1  ALA  12           HB1      ALA  12   2.290  -0.179  -0.070
  211    HB2  ALA  12           HB2      ALA  12   1.040   0.735  -0.915
  212    HB3  ALA  12           HB3      ALA  12   0.677  -0.036   0.628
  213    H    GLU  13           HN       GLU  13   2.082   3.080  -1.350
  214    HA   GLU  13           HA       GLU  13   4.852   2.764  -1.851
  215    HB2  GLU  13           HB2      GLU  13   3.220   3.320  -3.609
  216    HB3  GLU  13           HB1      GLU  13   2.928   4.897  -2.855
  217    HG2  GLU  13           HG2      GLU  13   4.513   5.192  -4.680
  218    HG3  GLU  13           HG1      GLU  13   5.385   5.413  -3.171
  219    H    LYS  14           HN       LYS  14   2.976   5.394  -0.425
  220    HA   LYS  14           HA       LYS  14   5.159   7.130   0.041
  221    HB2  LYS  14           HB2      LYS  14   2.854   7.929  -0.023
  222    HB3  LYS  14           HB1      LYS  14   2.476   6.981   1.414
  223    HG2  LYS  14           HG2      LYS  14   4.049   8.276   2.744
  224    HG3  LYS  14           HG1      LYS  14   4.642   9.105   1.305
  225    HD2  LYS  14           HD2      LYS  14   3.144  10.619   2.405
  226    HD3  LYS  14           HD1      LYS  14   2.290  10.006   0.991
  227    HE2  LYS  14           HE2      LYS  14   1.025   8.452   2.345
  228    HE3  LYS  14           HE1      LYS  14   1.998   8.827   3.768
  229    HZ1  LYS  14           HZ1      LYS  14   0.213  10.175   4.112
  230    HZ2  LYS  14           HZ2      LYS  14  -0.092  10.405   2.457
  231    HZ3  LYS  14           HZ3      LYS  14   1.181  11.238   3.214
  232    H    ALA  15           HN       ALA  15   3.636   4.605   1.947
  233    HA   ALA  15           HA       ALA  15   4.876   5.084   4.410
  234    HB1  ALA  15           HB1      ALA  15   3.882   2.540   3.122
  235    HB2  ALA  15           HB2      ALA  15   3.051   3.539   4.315
  236    HB3  ALA  15           HB3      ALA  15   4.473   2.608   4.780
  237    H    ASP  16           HN       ASP  16   5.981   3.371   1.543
  238    HA   ASP  16           HA       ASP  16   8.251   2.126   2.655
  239    HB2  ASP  16           HB2      ASP  16   7.658   3.121  -0.137
  240    HB3  ASP  16           HB1      ASP  16   9.134   2.244   0.273
  241    H    GLU  17           HN       GLU  17   7.794   5.367   1.272
  242    HA   GLU  17           HA       GLU  17  10.503   6.162   1.385
  243    HB2  GLU  17           HB2      GLU  17   8.799   7.345   0.049
  244    HB3  GLU  17           HB1      GLU  17   7.996   7.856   1.537
  245    HG2  GLU  17           HG2      GLU  17   9.998   9.071   2.230
  246    HG3  GLU  17           HG1      GLU  17  10.860   8.521   0.794
  247    H    LEU  18           HN       LEU  18   7.818   6.420   3.679
  248    HA   LEU  18           HA       LEU  18   9.140   8.002   5.602
  249    HB2  LEU  18           HB2      LEU  18   6.889   6.015   5.861
  250    HB3  LEU  18           HB1      LEU  18   7.440   7.035   7.189
  251    HG   LEU  18           HG       LEU  18   6.524   8.082   4.494
  252   HD11  LEU  18          HD11      LEU  18   5.041   8.075   7.129
  253   HD12  LEU  18          HD12      LEU  18   4.735   6.944   5.814
  254   HD13  LEU  18          HD13      LEU  18   4.443   8.665   5.580
  255   HD21  LEU  18          HD21      LEU  18   7.531   9.353   7.022
  256   HD22  LEU  18          HD22      LEU  18   6.254  10.183   6.140
  257   HD23  LEU  18          HD23      LEU  18   7.784   9.837   5.348
  258    H    GLY  19           HN       GLY  19   8.942   4.503   5.165
  259    HA2  GLY  19           HA2      GLY  19  10.844   3.115   5.718
  260    HA3  GLY  19           HA1      GLY  19  11.193   4.187   7.070
  261   HB11  B74 100          HB11      0AA 100   1.915  -2.352  -1.497
  262   HB12  B74 100          HB12      0AA 100   3.244  -3.367  -2.067
  263    HG   B74 100           HG       0AA 100   0.247  -1.488  -2.983
  264    HE1  B74 100           HE1      0AA 100   3.527  -3.854  -4.421
  265    HE2  B74 100           HE2      0AA 100   1.285  -1.391  -7.149
  266    HZ   B74 100           HZ       0AA 100   3.174  -2.947  -6.708
  267   HB21  B74 100          HB21      0AA 100  -1.334  -0.632  -4.611
  268   HB22  B74 100          HB22      0AA 100  -1.020  -0.739  -6.347
  Start of MODEL   12
    1    H1   SER   1           HN       SER   1   8.547   3.160   4.538
    2    HA   SER   1           HA       SER   1   8.455   2.079   7.286
    3    HB2  SER   1           HB2      SER   1   6.032   3.134   5.824
    4    HB3  SER   1           HB1      SER   1   6.098   2.517   7.473
    5    HG   SER   1           HG       SER   1   7.889   4.339   7.471
    6    HA   PRO   2           HA       PRO   2   8.157  -1.102   3.823
    7    HB2  PRO   2           HB2      PRO   2   9.675  -2.542   5.982
    8    HB3  PRO   2           HB1      PRO   2   9.942  -2.540   4.225
    9    HG2  PRO   2           HG2      PRO   2  11.539  -1.156   5.798
   10    HG3  PRO   2           HG1      PRO   2  10.985  -0.462   4.260
   11    HD2  PRO   2           HD2      PRO   2  10.025   0.136   7.049
   12    HD3  PRO   2           HD1      PRO   2  10.299   1.250   5.689
   13    H    GLU   3           HN       GLU   3   7.772  -1.399   7.337
   14    HA   GLU   3           HA       GLU   3   6.121  -3.701   7.347
   15    HB2  GLU   3           HB2      GLU   3   6.450  -1.410   9.296
   16    HB3  GLU   3           HB1      GLU   3   5.484  -2.851   9.634
   17    HG2  GLU   3           HG2      GLU   3   7.385  -4.285   9.413
   18    HG3  GLU   3           HG1      GLU   3   8.378  -2.973   8.773
   19    H    GLU   4           HN       GLU   4   5.399  -0.221   7.225
   20    HA   GLU   4           HA       GLU   4   2.578  -0.573   7.393
   21    HB2  GLU   4           HB2      GLU   4   4.253   1.692   6.288
   22    HB3  GLU   4           HB1      GLU   4   2.501   1.760   6.461
   23    HG2  GLU   4           HG2      GLU   4   4.414   1.190   8.743
   24    HG3  GLU   4           HG1      GLU   4   3.730   2.778   8.397
   25    H    ARG   5           HN       ARG   5   4.884  -0.377   4.744
   26    HA   ARG   5           HA       ARG   5   3.059  -0.326   2.619
   27    HB2  ARG   5           HB2      ARG   5   5.298   0.183   2.127
   28    HB3  ARG   5           HB1      ARG   5   5.902  -1.263   2.930
   29    HG2  ARG   5           HG2      ARG   5   4.053  -1.774   0.638
   30    HG3  ARG   5           HG1      ARG   5   5.595  -1.034   0.208
   31    HD2  ARG   5           HD2      ARG   5   6.799  -2.820   1.425
   32    HD3  ARG   5           HD1      ARG   5   5.270  -3.579   1.837
   33    HE   ARG   5           HE       ARG   5   6.546  -3.533  -0.807
   34   HH11  ARG   5          HH11      ARG   5   5.642  -4.972  -2.323
   35   HH12  ARG   5          HH12      ARG   5   4.147  -5.772  -1.961
   36   HH21  ARG   5          HH21      ARG   5   3.795  -4.298   1.149
   37   HH22  ARG   5          HH22      ARG   5   3.111  -5.394  -0.002
   38    H    ALA   6           HN       ALA   6   4.574  -3.089   4.297
   39    HA   ALA   6           HA       ALA   6   3.431  -5.097   2.684
   40    HB1  ALA   6           HB1      ALA   6   5.236  -5.669   4.142
   41    HB2  ALA   6           HB2      ALA   6   3.820  -6.556   4.712
   42    HB3  ALA   6           HB3      ALA   6   4.350  -5.103   5.559
   43    H    GLN   7           HN       GLN   7   2.269  -3.601   5.708
   44    HA   GLN   7           HA       GLN   7  -0.088  -5.202   5.919
   45    HB2  GLN   7           HB2      GLN   7   0.617  -2.468   7.023
   46    HB3  GLN   7           HB1      GLN   7  -0.841  -3.360   7.462
   47    HG2  GLN   7           HG2      GLN   7   0.518  -5.228   8.286
   48    HG3  GLN   7           HG1      GLN   7   1.992  -4.388   7.799
   49   HE21  GLN   7          HE21      GLN   7   0.251  -1.843   8.742
   50   HE22  GLN   7          HE22      GLN   7   0.596  -1.809  10.409
   51    H    LEU   8           HN       LEU   8   0.528  -2.007   4.455
   52    HA   LEU   8           HA       LEU   8  -2.187  -1.519   3.753
   53    HB2  LEU   8           HB2      LEU   8   0.439  -0.286   3.108
   54    HB3  LEU   8           HB1      LEU   8  -0.884   0.037   1.990
   55    HG   LEU   8           HG       LEU   8  -2.243   0.983   3.727
   56   HD11  LEU   8          HD11      LEU   8  -0.292  -0.355   5.565
   57   HD12  LEU   8          HD12      LEU   8  -2.038  -0.239   5.684
   58   HD13  LEU   8          HD13      LEU   8  -1.037   1.142   6.110
   59   HD21  LEU   8          HD21      LEU   8  -0.307   2.317   2.779
   60   HD22  LEU   8          HD22      LEU   8   0.564   1.955   4.269
   61   HD23  LEU   8          HD23      LEU   8  -0.932   2.886   4.326
   62    H    CYS   9           HN       CYS   9   0.515  -3.059   2.076
   63    HA   CYS   9           HA       CYS   9  -0.705  -3.312  -0.442
   64    HB2  CYS   9           HB2      CYS   9   1.550  -4.612   0.980
   65    HB3  CYS   9           HB1      CYS   9   0.862  -5.537  -0.352
   66    H    THR  10           HN       THR  10  -0.891  -5.325   2.454
   67    HA   THR  10           HA       THR  10  -2.345  -7.458   1.313
   68    HB   THR  10           HB       THR  10  -2.395  -6.326   4.094
   69    HG1  THR  10           HG1      THR  10  -0.426  -7.086   3.884
   70   HG21  THR  10          HG21      THR  10  -4.359  -7.658   3.859
   71   HG22  THR  10          HG22      THR  10  -3.167  -8.663   4.684
   72   HG23  THR  10          HG23      THR  10  -3.481  -8.902   2.964
   73    H    ALA  11           HN       ALA  11  -3.407  -4.445   2.920
   74    HA   ALA  11           HA       ALA  11  -6.178  -4.974   2.695
   75    HB1  ALA  11           HB1      ALA  11  -5.188  -3.181   4.122
   76    HB2  ALA  11           HB2      ALA  11  -6.495  -2.599   3.091
   77    HB3  ALA  11           HB3      ALA  11  -4.818  -2.269   2.658
   78    H    ALA  12           HN       ALA  12  -3.935  -3.225   0.546
   79    HA   ALA  12           HA       ALA  12  -5.918  -2.562  -1.389
   80    HB1  ALA  12           HB1      ALA  12  -3.246  -2.793  -2.537
   81    HB2  ALA  12           HB2      ALA  12  -3.181  -2.001  -0.968
   82    HB3  ALA  12           HB3      ALA  12  -4.203  -1.340  -2.242
   83    H    GLU  13           HN       GLU  13  -3.545  -5.167  -1.148
   84    HA   GLU  13           HA       GLU  13  -4.140  -6.406  -3.609
   85    HB2  GLU  13           HB2      GLU  13  -2.064  -6.817  -2.358
   86    HB3  GLU  13           HB1      GLU  13  -2.987  -7.596  -1.058
   87    HG2  GLU  13           HG2      GLU  13  -3.762  -9.322  -2.634
   88    HG3  GLU  13           HG1      GLU  13  -2.934  -8.516  -3.963
   89    H    LYS  14           HN       LYS  14  -5.278  -6.992  -0.310
   90    HA   LYS  14           HA       LYS  14  -6.943  -9.184  -0.945
   91    HB2  LYS  14           HB2      LYS  14  -6.164  -8.680   1.336
   92    HB3  LYS  14           HB1      LYS  14  -7.156  -7.222   1.350
   93    HG2  LYS  14           HG2      LYS  14  -9.183  -8.550   1.089
   94    HG3  LYS  14           HG1      LYS  14  -8.228 -10.026   0.927
   95    HD2  LYS  14           HD2      LYS  14  -7.343  -9.697   3.213
   96    HD3  LYS  14           HD1      LYS  14  -8.328  -8.242   3.376
   97    HE2  LYS  14           HE2      LYS  14  -9.468 -10.977   2.756
   98    HE3  LYS  14           HE1      LYS  14  -9.376 -10.300   4.385
   99    HZ1  LYS  14           HZ1      LYS  14 -11.183  -9.684   2.250
  100    HZ2  LYS  14           HZ2      LYS  14 -10.453  -8.299   2.914
  101    HZ3  LYS  14           HZ3      LYS  14 -11.321  -9.367   3.912
  102    H    ALA  15           HN       ALA  15  -7.562  -5.704  -0.662
  103    HA   ALA  15           HA       ALA  15 -10.342  -5.804  -1.147
  104    HB1  ALA  15           HB1      ALA  15  -8.406  -3.562  -1.767
  105    HB2  ALA  15           HB2      ALA  15  -9.184  -3.827  -0.207
  106    HB3  ALA  15           HB3      ALA  15 -10.157  -3.414  -1.619
  107    H    ASP  16           HN       ASP  16  -7.563  -5.569  -3.288
  108    HA   ASP  16           HA       ASP  16  -8.927  -5.015  -5.680
  109    HB2  ASP  16           HB2      ASP  16  -6.472  -4.860  -5.432
  110    HB3  ASP  16           HB1      ASP  16  -6.383  -6.619  -5.297
  111    H    GLU  17           HN       GLU  17  -8.106  -8.105  -4.117
  112    HA   GLU  17           HA       GLU  17  -9.071  -9.785  -6.165
  113    HB2  GLU  17           HB2      GLU  17  -7.603 -10.561  -4.337
  114    HB3  GLU  17           HB1      GLU  17  -8.913 -10.294  -3.183
  115    HG2  GLU  17           HG2      GLU  17 -10.308 -11.919  -4.355
  116    HG3  GLU  17           HG1      GLU  17  -9.051 -12.165  -5.565
  117    H    LEU  18           HN       LEU  18 -10.608  -8.348  -3.313
  118    HA   LEU  18           HA       LEU  18 -13.087  -9.670  -3.532
  119    HB2  LEU  18           HB2      LEU  18 -12.341  -7.007  -2.338
  120    HB3  LEU  18           HB1      LEU  18 -13.949  -7.716  -2.202
  121    HG   LEU  18           HG       LEU  18 -11.400  -9.113  -1.327
  122   HD11  LEU  18          HD11      LEU  18 -12.371  -8.598   0.992
  123   HD12  LEU  18          HD12      LEU  18 -13.385  -7.411   0.174
  124   HD13  LEU  18          HD13      LEU  18 -11.631  -7.256   0.123
  125   HD21  LEU  18          HD21      LEU  18 -14.327  -9.808  -1.277
  126   HD22  LEU  18          HD22      LEU  18 -13.328 -10.340   0.073
  127   HD23  LEU  18          HD23      LEU  18 -12.935 -10.849  -1.563
  128    H    GLY  19           HN       GLY  19 -11.893  -6.637  -4.924
  129    HA2  GLY  19           HA2      GLY  19 -12.700  -6.198  -7.251
  130    HA3  GLY  19           HA1      GLY  19 -14.321  -6.510  -6.639
  131    H1   SER   1           HN       SER   1 -11.497  -4.420  -5.927
  132    HA   SER   1           HA       SER   1 -13.250  -2.081  -5.868
  133    HB2  SER   1           HB2      SER   1 -11.437  -2.727  -3.536
  134    HB3  SER   1           HB1      SER   1 -12.549  -1.369  -3.679
  135    HG   SER   1           HG       SER   1 -14.022  -3.440  -4.118
  136    HA   PRO   2           HA       PRO   2  -9.046  -1.655  -7.959
  137    HB2  PRO   2           HB2      PRO   2 -10.859   0.023  -9.670
  138    HB3  PRO   2           HB1      PRO   2  -9.564  -1.093 -10.157
  139    HG2  PRO   2           HG2      PRO   2 -12.086  -1.810 -10.424
  140    HG3  PRO   2           HG1      PRO   2 -10.889  -2.977  -9.821
  141    HD2  PRO   2           HD2      PRO   2 -12.953  -1.428  -8.273
  142    HD3  PRO   2           HD1      PRO   2 -12.434  -3.118  -8.074
  143    H    GLU   3           HN       GLU   3 -11.584   0.724  -7.279
  144    HA   GLU   3           HA       GLU   3  -9.954   3.036  -7.237
  145    HB2  GLU   3           HB2      GLU   3 -12.581   2.365  -5.897
  146    HB3  GLU   3           HB1      GLU   3 -11.856   3.977  -5.879
  147    HG2  GLU   3           HG2      GLU   3 -11.939   4.136  -8.264
  148    HG3  GLU   3           HG1      GLU   3 -12.381   2.434  -8.424
  149    H    GLU   4           HN       GLU   4 -10.929   0.743  -4.704
  150    HA   GLU   4           HA       GLU   4  -9.692   2.199  -2.592
  151    HB2  GLU   4           HB2      GLU   4 -10.445  -0.722  -2.843
  152    HB3  GLU   4           HB1      GLU   4  -9.842   0.012  -1.358
  153    HG2  GLU   4           HG2      GLU   4 -12.290   0.979  -2.865
  154    HG3  GLU   4           HG1      GLU   4 -12.343  -0.094  -1.467
  155    H    ARG   5           HN       ARG   5  -8.639  -0.359  -4.765
  156    HA   ARG   5           HA       ARG   5  -6.153  -0.892  -3.590
  157    HB2  ARG   5           HB2      ARG   5  -6.929  -2.422  -5.189
  158    HB3  ARG   5           HB1      ARG   5  -7.270  -1.162  -6.370
  159    HG2  ARG   5           HG2      ARG   5  -4.412  -1.351  -5.528
  160    HG3  ARG   5           HG1      ARG   5  -5.021  -2.748  -6.414
  161    HD2  ARG   5           HD2      ARG   5  -5.832  -1.254  -8.217
  162    HD3  ARG   5           HD1      ARG   5  -5.190   0.136  -7.356
  163    HE   ARG   5           HE       ARG   5  -3.640  -1.912  -8.777
  164   HH11  ARG   5          HH11      ARG   5  -1.445  -1.391  -9.095
  165   HH12  ARG   5          HH12      ARG   5  -0.761  -0.026  -8.277
  166   HH21  ARG   5          HH21      ARG   5  -3.700   0.831  -6.668
  167   HH22  ARG   5          HH22      ARG   5  -2.033   1.227  -6.912
  168    H    ALA   6           HN       ALA   6  -7.054   1.446  -6.132
  169    HA   ALA   6           HA       ALA   6  -4.461   2.436  -6.599
  170    HB1  ALA   6           HB1      ALA   6  -6.192   2.967  -8.153
  171    HB2  ALA   6           HB2      ALA   6  -5.695   4.490  -7.416
  172    HB3  ALA   6           HB3      ALA   6  -7.183   3.702  -6.894
  173    H    GLN   7           HN       GLN   7  -6.988   3.530  -4.346
  174    HA   GLN   7           HA       GLN   7  -5.503   5.740  -3.306
  175    HB2  GLN   7           HB2      GLN   7  -7.809   4.133  -2.173
  176    HB3  GLN   7           HB1      GLN   7  -7.161   5.590  -1.418
  177    HG2  GLN   7           HG2      GLN   7  -7.653   6.885  -3.443
  178    HG3  GLN   7           HG1      GLN   7  -8.254   5.431  -4.242
  179   HE21  GLN   7          HE21      GLN   7  -9.276   4.812  -1.249
  180   HE22  GLN   7          HE22      GLN   7 -10.776   5.619  -1.240
  181    H    LEU   8           HN       LEU   8  -5.817   2.336  -2.289
  182    HA   LEU   8           HA       LEU   8  -4.322   2.703   0.127
  183    HB2  LEU   8           HB2      LEU   8  -5.471   0.420  -1.377
  184    HB3  LEU   8           HB1      LEU   8  -4.100   0.042  -0.340
  185    HG   LEU   8           HG       LEU   8  -5.221   0.904   1.606
  186   HD11  LEU   8          HD11      LEU   8  -7.056   2.147  -0.409
  187   HD12  LEU   8          HD12      LEU   8  -6.431   2.810   1.091
  188   HD13  LEU   8          HD13      LEU   8  -7.758   1.657   1.128
  189   HD21  LEU   8          HD21      LEU   8  -5.844  -1.362   0.702
  190   HD22  LEU   8          HD22      LEU   8  -7.276  -0.618  -0.005
  191   HD23  LEU   8          HD23      LEU   8  -7.064  -0.634   1.745
  192    H    CYS   9           HN       CYS   9  -3.512   1.761  -3.175
  193    HA   CYS   9           HA       CYS   9  -0.861   0.952  -2.727
  194    HB2  CYS   9           HB2      CYS   9  -2.489   1.796  -5.042
  195    HB3  CYS   9           HB1      CYS   9  -0.760   2.065  -5.243
  196    H    THR  10           HN       THR  10  -2.263   4.149  -3.252
  197    HA   THR  10           HA       THR  10   0.150   5.593  -3.461
  198    HB   THR  10           HB       THR  10  -2.526   6.397  -2.352
  199    HG1  THR  10           HG1      THR  10  -2.918   6.083  -4.407
  200   HG21  THR  10          HG21      THR  10  -0.948   7.994  -1.545
  201   HG22  THR  10          HG22      THR  10  -1.720   8.719  -2.955
  202   HG23  THR  10          HG23      THR  10  -0.101   8.030  -3.092
  203    H    ALA  11           HN       ALA  11  -1.871   4.773  -0.631
  204    HA   ALA  11           HA       ALA  11  -0.268   6.123   1.261
  205    HB1  ALA  11           HB1      ALA  11  -2.571   5.272   1.709
  206    HB2  ALA  11           HB2      ALA  11  -1.405   4.771   2.933
  207    HB3  ALA  11           HB3      ALA  11  -1.930   3.628   1.697
  208    H    ALA  12           HN       ALA  12  -0.242   2.743   0.124
  209    HA   ALA  12           HA       ALA  12   1.927   1.942   1.786
  210    HB1  ALA  12           HB1      ALA  12   1.740   0.395  -0.686
  211    HB2  ALA  12           HB2      ALA  12   0.145   0.689  -0.006
  212    HB3  ALA  12           HB3      ALA  12   1.378  -0.106   0.968
  213    H    GLU  13           HN       GLU  13   1.712   3.024  -1.572
  214    HA   GLU  13           HA       GLU  13   4.448   2.734  -2.200
  215    HB2  GLU  13           HB2      GLU  13   2.689   2.944  -3.908
  216    HB3  GLU  13           HB1      GLU  13   2.372   4.610  -3.392
  217    HG2  GLU  13           HG2      GLU  13   4.672   5.244  -4.002
  218    HG3  GLU  13           HG1      GLU  13   5.045   3.576  -4.430
  219    H    LYS  14           HN       LYS  14   2.540   5.490  -1.075
  220    HA   LYS  14           HA       LYS  14   4.665   7.354  -1.081
  221    HB2  LYS  14           HB2      LYS  14   2.286   7.995  -1.065
  222    HB3  LYS  14           HB1      LYS  14   2.129   7.354   0.571
  223    HG2  LYS  14           HG2      LYS  14   3.760   8.961   1.403
  224    HG3  LYS  14           HG1      LYS  14   4.065   9.544  -0.237
  225    HD2  LYS  14           HD2      LYS  14   1.706  10.272  -0.409
  226    HD3  LYS  14           HD1      LYS  14   1.423   9.719   1.242
  227    HE2  LYS  14           HE2      LYS  14   3.520  11.771   0.498
  228    HE3  LYS  14           HE1      LYS  14   1.901  12.186   1.066
  229    HZ1  LYS  14           HZ1      LYS  14   4.163  11.242   2.541
  230    HZ2  LYS  14           HZ2      LYS  14   2.760  10.334   2.847
  231    HZ3  LYS  14           HZ3      LYS  14   2.757  12.015   3.093
  232    H    ALA  15           HN       ALA  15   3.319   5.258   1.438
  233    HA   ALA  15           HA       ALA  15   4.972   6.134   3.553
  234    HB1  ALA  15           HB1      ALA  15   3.742   3.394   3.183
  235    HB2  ALA  15           HB2      ALA  15   2.880   4.794   3.823
  236    HB3  ALA  15           HB3      ALA  15   4.253   4.126   4.703
  237    H    ASP  16           HN       ASP  16   5.370   3.672   1.084
  238    HA   ASP  16           HA       ASP  16   7.661   2.416   2.123
  239    HB2  ASP  16           HB2      ASP  16   6.318   1.492   0.266
  240    HB3  ASP  16           HB1      ASP  16   6.882   2.799  -0.780
  241    H    GLU  17           HN       GLU  17   7.286   5.217  -0.042
  242    HA   GLU  17           HA       GLU  17  10.030   5.635  -0.535
  243    HB2  GLU  17           HB2      GLU  17   8.231   6.657  -1.882
  244    HB3  GLU  17           HB1      GLU  17   7.764   7.645  -0.495
  245    HG2  GLU  17           HG2      GLU  17   9.969   8.694  -0.469
  246    HG3  GLU  17           HG1      GLU  17  10.496   7.681  -1.812
  247    H    LEU  18           HN       LEU  18   7.829   6.842   1.968
  248    HA   LEU  18           HA       LEU  18   9.620   8.651   3.176
  249    HB2  LEU  18           HB2      LEU  18   7.274   7.125   4.287
  250    HB3  LEU  18           HB1      LEU  18   8.156   8.346   5.200
  251    HG   LEU  18           HG       LEU  18   6.883   8.846   2.491
  252   HD11  LEU  18          HD11      LEU  18   5.235  10.172   3.928
  253   HD12  LEU  18          HD12      LEU  18   5.881   9.279   5.303
  254   HD13  LEU  18          HD13      LEU  18   5.091   8.417   3.986
  255   HD21  LEU  18          HD21      LEU  18   8.416  10.525   4.461
  256   HD22  LEU  18          HD22      LEU  18   7.095  11.289   3.579
  257   HD23  LEU  18          HD23      LEU  18   8.436  10.567   2.700
  258    H    GLY  19           HN       GLY  19   9.012   5.206   3.725
  259    HA2  GLY  19           HA2      GLY  19  11.079   3.898   4.248
  260    HA3  GLY  19           HA1      GLY  19  11.413   5.110   5.477
  261   HB11  B74 100          HB11      0AA 100   1.987  -5.301  -2.643
  262   HB12  B74 100          HB12      0AA 100   0.341  -4.671  -2.545
  263    HG   B74 100           HG       0AA 100   0.430  -1.925  -3.109
  264    HE1  B74 100           HE1      0AA 100   2.641  -5.147  -4.896
  265    HE2  B74 100           HE2      0AA 100   1.790  -1.601  -7.180
  266    HZ   B74 100           HZ       0AA 100   2.749  -3.889  -7.037
  267   HB21  B74 100          HB21      0AA 100   0.747   0.241  -6.176
  268   HB22  B74 100          HB22      0AA 100   0.943   0.422  -4.430
  Start of MODEL   13
    1    H1   SER   1           HN       SER   1   8.648   2.907   6.241
    2    HA   SER   1           HA       SER   1   8.702   1.309   8.728
    3    HB2  SER   1           HB2      SER   1   6.263   2.638   7.530
    4    HB3  SER   1           HB1      SER   1   6.266   1.531   8.898
    5    HG   SER   1           HG       SER   1   7.732   3.058   9.908
    6    HA   PRO   2           HA       PRO   2   8.558  -1.232   4.797
    7    HB2  PRO   2           HB2      PRO   2   9.951  -3.026   6.773
    8    HB3  PRO   2           HB1      PRO   2  10.326  -2.729   5.060
    9    HG2  PRO   2           HG2      PRO   2  11.808  -1.636   6.950
   10    HG3  PRO   2           HG1      PRO   2  11.369  -0.700   5.508
   11    HD2  PRO   2           HD2      PRO   2  10.229  -0.526   8.289
   12    HD3  PRO   2           HD1      PRO   2  10.563   0.777   7.125
   13    H    GLU   3           HN       GLU   3   7.989  -2.172   8.177
   14    HA   GLU   3           HA       GLU   3   6.315  -4.402   7.604
   15    HB2  GLU   3           HB2      GLU   3   7.471  -3.913   9.811
   16    HB3  GLU   3           HB1      GLU   3   6.233  -2.685  10.090
   17    HG2  GLU   3           HG2      GLU   3   5.348  -4.606  11.141
   18    HG3  GLU   3           HG1      GLU   3   4.528  -4.566   9.576
   19    H    GLU   4           HN       GLU   4   5.654  -0.972   8.240
   20    HA   GLU   4           HA       GLU   4   2.847  -1.206   8.385
   21    HB2  GLU   4           HB2      GLU   4   4.083   0.802   9.093
   22    HB3  GLU   4           HB1      GLU   4   4.494   1.136   7.412
   23    HG2  GLU   4           HG2      GLU   4   2.119   1.346   6.860
   24    HG3  GLU   4           HG1      GLU   4   1.682   0.951   8.519
   25    H    ARG   5           HN       ARG   5   5.067  -0.763   5.692
   26    HA   ARG   5           HA       ARG   5   3.180  -0.343   3.657
   27    HB2  ARG   5           HB2      ARG   5   5.450   0.080   3.177
   28    HB3  ARG   5           HB1      ARG   5   5.960  -1.519   3.716
   29    HG2  ARG   5           HG2      ARG   5   3.986  -1.421   1.455
   30    HG3  ARG   5           HG1      ARG   5   5.624  -0.880   1.095
   31    HD2  ARG   5           HD2      ARG   5   6.431  -3.089   2.160
   32    HD3  ARG   5           HD1      ARG   5   4.758  -3.606   2.090
   33    HE   ARG   5           HE       ARG   5   4.939  -3.823  -0.216
   34   HH11  ARG   5          HH11      ARG   5   6.135  -3.848  -2.152
   35   HH12  ARG   5          HH12      ARG   5   7.696  -3.099  -2.206
   36   HH21  ARG   5          HH21      ARG   5   7.599  -2.075   1.111
   37   HH22  ARG   5          HH22      ARG   5   8.526  -2.092  -0.351
   38    H    ALA   6           HN       ALA   6   4.588  -3.354   4.952
   39    HA   ALA   6           HA       ALA   6   3.393  -5.127   3.140
   40    HB1  ALA   6           HB1      ALA   6   3.884  -5.721   6.058
   41    HB2  ALA   6           HB2      ALA   6   5.183  -5.638   4.868
   42    HB3  ALA   6           HB3      ALA   6   3.911  -6.849   4.704
   43    H    GLN   7           HN       GLN   7   2.206  -3.910   6.269
   44    HA   GLN   7           HA       GLN   7  -0.222  -5.416   6.227
   45    HB2  GLN   7           HB2      GLN   7   0.542  -2.814   7.579
   46    HB3  GLN   7           HB1      GLN   7  -0.990  -3.643   7.857
   47    HG2  GLN   7           HG2      GLN   7   0.229  -5.657   8.593
   48    HG3  GLN   7           HG1      GLN   7   1.763  -4.831   8.312
   49   HE21  GLN   7          HE21      GLN   7   2.584  -4.385  10.374
   50   HE22  GLN   7          HE22      GLN   7   1.696  -3.644  11.622
   51    H    LEU   8           HN       LEU   8   0.601  -2.139   5.093
   52    HA   LEU   8           HA       LEU   8  -2.025  -1.461   4.266
   53    HB2  LEU   8           HB2      LEU   8   0.661  -0.389   3.445
   54    HB3  LEU   8           HB1      LEU   8  -0.869   0.290   2.892
   55    HG   LEU   8           HG       LEU   8  -0.104  -0.049   5.807
   56   HD11  LEU   8          HD11      LEU   8   1.355   1.555   4.690
   57   HD12  LEU   8          HD12      LEU   8   0.238   2.399   5.759
   58   HD13  LEU   8          HD13      LEU   8  -0.044   2.387   4.018
   59   HD21  LEU   8          HD21      LEU   8  -2.421   0.127   5.889
   60   HD22  LEU   8          HD22      LEU   8  -2.524   1.011   4.366
   61   HD23  LEU   8          HD23      LEU   8  -2.019   1.841   5.838
   62    H    CYS   9           HN       CYS   9   0.693  -2.994   2.620
   63    HA   CYS   9           HA       CYS   9  -0.298  -2.950   0.002
   64    HB2  CYS   9           HB2      CYS   9   1.995  -3.799   1.023
   65    HB3  CYS   9           HB1      CYS   9   1.182  -5.360   1.012
   66    H    THR  10           HN       THR  10  -0.849  -5.193   2.669
   67    HA   THR  10           HA       THR  10  -2.392  -7.105   1.271
   68    HB   THR  10           HB       THR  10  -2.498  -6.252   4.153
   69    HG1  THR  10           HG1      THR  10  -0.867  -7.572   4.446
   70   HG21  THR  10          HG21      THR  10  -3.620  -8.625   2.690
   71   HG22  THR  10          HG22      THR  10  -4.458  -7.503   3.763
   72   HG23  THR  10          HG23      THR  10  -3.303  -8.660   4.424
   73    H    ALA  11           HN       ALA  11  -3.299  -4.177   3.085
   74    HA   ALA  11           HA       ALA  11  -6.086  -4.472   2.759
   75    HB1  ALA  11           HB1      ALA  11  -4.901  -2.836   4.295
   76    HB2  ALA  11           HB2      ALA  11  -6.257  -2.170   3.386
   77    HB3  ALA  11           HB3      ALA  11  -4.603  -1.840   2.870
   78    H    ALA  12           HN       ALA  12  -3.640  -2.791   0.785
   79    HA   ALA  12           HA       ALA  12  -5.451  -1.807  -1.159
   80    HB1  ALA  12           HB1      ALA  12  -2.946  -1.200  -0.721
   81    HB2  ALA  12           HB2      ALA  12  -3.573  -1.139  -2.367
   82    HB3  ALA  12           HB3      ALA  12  -2.614  -2.523  -1.838
   83    H    GLU  13           HN       GLU  13  -3.474  -4.738  -1.014
   84    HA   GLU  13           HA       GLU  13  -4.248  -5.755  -3.542
   85    HB2  GLU  13           HB2      GLU  13  -2.240  -6.505  -2.360
   86    HB3  GLU  13           HB1      GLU  13  -3.239  -7.192  -1.062
   87    HG2  GLU  13           HG2      GLU  13  -4.292  -8.732  -2.685
   88    HG3  GLU  13           HG1      GLU  13  -3.364  -8.012  -3.996
   89    H    LYS  14           HN       LYS  14  -5.443  -6.327  -0.265
   90    HA   LYS  14           HA       LYS  14  -7.411  -8.236  -0.962
   91    HB2  LYS  14           HB2      LYS  14  -6.563  -7.952   1.334
   92    HB3  LYS  14           HB1      LYS  14  -7.315  -6.358   1.416
   93    HG2  LYS  14           HG2      LYS  14  -9.538  -7.396   1.049
   94    HG3  LYS  14           HG1      LYS  14  -8.774  -8.984   0.950
   95    HD2  LYS  14           HD2      LYS  14  -7.952  -8.730   3.265
   96    HD3  LYS  14           HD1      LYS  14  -8.728  -7.149   3.364
   97    HE2  LYS  14           HE2      LYS  14 -10.926  -8.196   2.959
   98    HE3  LYS  14           HE1      LYS  14 -10.153  -9.778   2.859
   99    HZ1  LYS  14           HZ1      LYS  14  -9.334  -8.475   5.216
  100    HZ2  LYS  14           HZ2      LYS  14 -10.191  -9.933   5.051
  101    HZ3  LYS  14           HZ3      LYS  14 -11.028  -8.456   5.139
  102    H    ALA  15           HN       ALA  15  -7.447  -4.714  -0.668
  103    HA   ALA  15           HA       ALA  15 -10.208  -4.319  -0.924
  104    HB1  ALA  15           HB1      ALA  15  -8.845  -2.476  -0.248
  105    HB2  ALA  15           HB2      ALA  15  -9.521  -2.046  -1.820
  106    HB3  ALA  15           HB3      ALA  15  -7.852  -2.601  -1.700
  107    H    ASP  16           HN       ASP  16  -7.677  -4.676  -3.347
  108    HA   ASP  16           HA       ASP  16  -9.271  -4.111  -5.614
  109    HB2  ASP  16           HB2      ASP  16  -6.786  -4.201  -5.640
  110    HB3  ASP  16           HB1      ASP  16  -6.873  -5.952  -5.436
  111    H    GLU  17           HN       GLU  17  -8.562  -7.097  -3.858
  112    HA   GLU  17           HA       GLU  17  -9.867  -8.886  -5.611
  113    HB2  GLU  17           HB2      GLU  17  -9.305  -9.027  -2.642
  114    HB3  GLU  17           HB1      GLU  17  -9.973 -10.369  -3.571
  115    HG2  GLU  17           HG2      GLU  17  -8.016 -10.370  -5.039
  116    HG3  GLU  17           HG1      GLU  17  -7.354  -8.976  -4.186
  117    H    LEU  18           HN       LEU  18 -11.021  -6.990  -2.855
  118    HA   LEU  18           HA       LEU  18 -13.594  -8.125  -2.672
  119    HB2  LEU  18           HB2      LEU  18 -12.558  -5.396  -1.935
  120    HB3  LEU  18           HB1      LEU  18 -14.193  -5.942  -1.564
  121    HG   LEU  18           HG       LEU  18 -11.669  -7.393  -0.712
  122   HD11  LEU  18          HD11      LEU  18 -12.039  -6.449   1.485
  123   HD12  LEU  18          HD12      LEU  18 -13.520  -5.664   0.939
  124   HD13  LEU  18          HD13      LEU  18 -11.963  -5.133   0.318
  125   HD21  LEU  18          HD21      LEU  18 -13.552  -8.280   0.987
  126   HD22  LEU  18          HD22      LEU  18 -13.291  -9.044  -0.574
  127   HD23  LEU  18          HD23      LEU  18 -14.612  -7.894  -0.369
  128    H    GLY  19           HN       GLY  19 -12.349  -5.410  -4.573
  129    HA2  GLY  19           HA2      GLY  19 -13.358  -5.228  -6.852
  130    HA3  GLY  19           HA1      GLY  19 -14.927  -5.322  -6.058
  131    H1   SER   1           HN       SER   1 -11.949  -3.460  -5.355
  132    HA   SER   1           HA       SER   1 -13.415  -0.949  -5.791
  133    HB2  SER   1           HB2      SER   1 -11.911  -1.631  -3.255
  134    HB3  SER   1           HB1      SER   1 -12.605  -0.061  -3.649
  135    HG   SER   1           HG       SER   1 -14.646  -1.210  -3.837
  136    HA   PRO   2           HA       PRO   2  -9.150  -1.221  -7.720
  137    HB2  PRO   2           HB2      PRO   2 -10.652   0.671  -9.517
  138    HB3  PRO   2           HB1      PRO   2  -9.532  -0.642  -9.945
  139    HG2  PRO   2           HG2      PRO   2 -12.136  -0.965 -10.240
  140    HG3  PRO   2           HG1      PRO   2 -11.135  -2.290  -9.617
  141    HD2  PRO   2           HD2      PRO   2 -12.993  -0.463  -8.116
  142    HD3  PRO   2           HD1      PRO   2 -12.667  -2.194  -7.864
  143    H    GLU   3           HN       GLU   3 -11.271   1.597  -7.257
  144    HA   GLU   3           HA       GLU   3  -9.203   3.547  -7.201
  145    HB2  GLU   3           HB2      GLU   3 -11.682   3.977  -7.531
  146    HB3  GLU   3           HB1      GLU   3 -11.872   3.717  -5.794
  147    HG2  GLU   3           HG2      GLU   3 -11.591   6.054  -5.970
  148    HG3  GLU   3           HG1      GLU   3  -9.984   5.468  -5.524
  149    H    GLU   4           HN       GLU   4 -10.822   1.675  -4.654
  150    HA   GLU   4           HA       GLU   4  -9.641   3.007  -2.471
  151    HB2  GLU   4           HB2      GLU   4 -11.545   1.461  -2.253
  152    HB3  GLU   4           HB1      GLU   4 -10.489   0.113  -2.673
  153    HG2  GLU   4           HG2      GLU   4  -9.106   0.559  -0.710
  154    HG3  GLU   4           HG1      GLU   4 -10.101   1.951  -0.302
  155    H    ARG   5           HN       ARG   5  -8.577   0.301  -4.456
  156    HA   ARG   5           HA       ARG   5  -6.302  -0.418  -2.990
  157    HB2  ARG   5           HB2      ARG   5  -7.025  -1.886  -4.681
  158    HB3  ARG   5           HB1      ARG   5  -7.053  -0.618  -5.905
  159    HG2  ARG   5           HG2      ARG   5  -4.411  -1.159  -4.591
  160    HG3  ARG   5           HG1      ARG   5  -5.021  -2.411  -5.673
  161    HD2  ARG   5           HD2      ARG   5  -5.363  -0.537  -7.413
  162    HD3  ARG   5           HD1      ARG   5  -4.404   0.474  -6.351
  163    HE   ARG   5           HE       ARG   5  -2.498  -0.735  -6.934
  164   HH11  ARG   5          HH11      ARG   5  -1.403  -2.248  -8.235
  165   HH12  ARG   5          HH12      ARG   5  -2.305  -3.428  -9.126
  166   HH21  ARG   5          HH21      ARG   5  -5.388  -2.306  -7.990
  167   HH22  ARG   5          HH22      ARG   5  -4.566  -3.460  -8.986
  168    H    ALA   6           HN       ALA   6  -6.717   1.950  -5.625
  169    HA   ALA   6           HA       ALA   6  -4.031   2.694  -5.896
  170    HB1  ALA   6           HB1      ALA   6  -6.362   4.586  -6.190
  171    HB2  ALA   6           HB2      ALA   6  -5.995   3.338  -7.382
  172    HB3  ALA   6           HB3      ALA   6  -4.824   4.614  -7.052
  173    H    GLN   7           HN       GLN   7  -6.565   4.030  -3.795
  174    HA   GLN   7           HA       GLN   7  -4.918   6.054  -2.642
  175    HB2  GLN   7           HB2      GLN   7  -7.384   4.616  -1.625
  176    HB3  GLN   7           HB1      GLN   7  -6.630   5.969  -0.781
  177    HG2  GLN   7           HG2      GLN   7  -6.934   7.386  -2.778
  178    HG3  GLN   7           HG1      GLN   7  -7.690   6.033  -3.622
  179   HE21  GLN   7          HE21      GLN   7  -9.889   6.571  -3.727
  180   HE22  GLN   7          HE22      GLN   7 -10.821   7.065  -2.391
  181    H    LEU   8           HN       LEU   8  -5.612   2.683  -1.704
  182    HA   LEU   8           HA       LEU   8  -4.123   2.796   0.717
  183    HB2  LEU   8           HB2      LEU   8  -5.008   0.481  -0.984
  184    HB3  LEU   8           HB1      LEU   8  -4.193   0.296   0.568
  185    HG   LEU   8           HG       LEU   8  -6.752   1.873   0.165
  186   HD11  LEU   8          HD11      LEU   8  -7.110  -0.496  -0.284
  187   HD12  LEU   8          HD12      LEU   8  -7.843  -0.063   1.257
  188   HD13  LEU   8          HD13      LEU   8  -6.305  -0.924   1.221
  189   HD21  LEU   8          HD21      LEU   8  -5.920   2.713   2.165
  190   HD22  LEU   8          HD22      LEU   8  -4.996   1.257   2.528
  191   HD23  LEU   8          HD23      LEU   8  -6.740   1.285   2.789
  192    H    CYS   9           HN       CYS   9  -3.329   1.897  -2.599
  193    HA   CYS   9           HA       CYS   9  -0.786   0.806  -2.163
  194    HB2  CYS   9           HB2      CYS   9  -2.369   1.626  -4.402
  195    HB3  CYS   9           HB1      CYS   9  -0.770   2.316  -4.626
  196    H    THR  10           HN       THR  10  -1.828   4.157  -2.570
  197    HA   THR  10           HA       THR  10   0.728   5.365  -2.592
  198    HB   THR  10           HB       THR  10  -1.908   6.406  -1.592
  199    HG1  THR  10           HG1      THR  10  -2.304   6.884  -3.613
  200   HG21  THR  10          HG21      THR  10   0.706   7.753  -2.205
  201   HG22  THR  10          HG22      THR  10  -0.254   7.851  -0.728
  202   HG23  THR  10          HG23      THR  10  -0.825   8.630  -2.203
  203    H    ALA  11           HN       ALA  11  -1.510   4.608   0.074
  204    HA   ALA  11           HA       ALA  11   0.074   5.736   2.116
  205    HB1  ALA  11           HB1      ALA  11  -2.333   4.953   2.300
  206    HB2  ALA  11           HB2      ALA  11  -1.284   4.495   3.642
  207    HB3  ALA  11           HB3      ALA  11  -1.704   3.309   2.404
  208    H    ALA  12           HN       ALA  12  -0.058   2.448   0.749
  209    HA   ALA  12           HA       ALA  12   1.901   1.329   2.463
  210    HB1  ALA  12           HB1      ALA  12   0.232   0.166   0.830
  211    HB2  ALA  12           HB2      ALA  12   1.817  -0.558   1.089
  212    HB3  ALA  12           HB3      ALA  12   1.508   0.390  -0.366
  213    H    GLU  13           HN       GLU  13   2.109   2.803  -0.755
  214    HA   GLU  13           HA       GLU  13   4.901   2.418  -1.084
  215    HB2  GLU  13           HB2      GLU  13   3.392   2.882  -2.961
  216    HB3  GLU  13           HB1      GLU  13   3.050   4.497  -2.312
  217    HG2  GLU  13           HG2      GLU  13   5.427   5.101  -2.558
  218    HG3  GLU  13           HG1      GLU  13   5.808   3.471  -3.111
  219    H    LYS  14           HN       LYS  14   2.978   5.136   0.098
  220    HA   LYS  14           HA       LYS  14   5.146   6.897   0.543
  221    HB2  LYS  14           HB2      LYS  14   2.819   7.662   0.357
  222    HB3  LYS  14           HB1      LYS  14   2.416   6.830   1.859
  223    HG2  LYS  14           HG2      LYS  14   4.065   8.230   3.069
  224    HG3  LYS  14           HG1      LYS  14   4.480   9.042   1.558
  225    HD2  LYS  14           HD2      LYS  14   2.149   9.851   1.364
  226    HD3  LYS  14           HD1      LYS  14   1.753   9.053   2.887
  227    HE2  LYS  14           HE2      LYS  14   3.428  10.435   4.057
  228    HE3  LYS  14           HE1      LYS  14   3.834  11.231   2.537
  229    HZ1  LYS  14           HZ1      LYS  14   1.047  11.305   2.927
  230    HZ2  LYS  14           HZ2      LYS  14   2.137  12.601   2.801
  231    HZ3  LYS  14           HZ3      LYS  14   1.812  11.904   4.317
  232    H    ALA  15           HN       ALA  15   3.525   4.500   2.573
  233    HA   ALA  15           HA       ALA  15   4.755   5.137   5.010
  234    HB1  ALA  15           HB1      ALA  15   2.876   3.641   4.987
  235    HB2  ALA  15           HB2      ALA  15   4.263   2.728   5.586
  236    HB3  ALA  15           HB3      ALA  15   3.719   2.518   3.921
  237    H    ASP  16           HN       ASP  16   5.782   3.070   2.354
  238    HA   ASP  16           HA       ASP  16   8.078   1.994   3.612
  239    HB2  ASP  16           HB2      ASP  16   7.071   1.084   1.530
  240    HB3  ASP  16           HB1      ASP  16   7.637   2.513   0.661
  241    H    GLU  17           HN       GLU  17   7.533   4.884   1.650
  242    HA   GLU  17           HA       GLU  17  10.223   5.718   1.444
  243    HB2  GLU  17           HB2      GLU  17   7.626   7.267   1.362
  244    HB3  GLU  17           HB1      GLU  17   9.199   7.987   1.018
  245    HG2  GLU  17           HG2      GLU  17   9.563   6.393  -0.805
  246    HG3  GLU  17           HG1      GLU  17   8.030   5.602  -0.440
  247    H    LEU  18           HN       LEU  18   7.722   6.336   3.870
  248    HA   LEU  18           HA       LEU  18   9.116   8.283   5.352
  249    HB2  LEU  18           HB2      LEU  18   7.001   6.298   6.157
  250    HB3  LEU  18           HB1      LEU  18   7.613   7.549   7.240
  251    HG   LEU  18           HG       LEU  18   6.412   8.088   4.507
  252   HD11  LEU  18          HD11      LEU  18   4.427   8.832   5.725
  253   HD12  LEU  18          HD12      LEU  18   5.195   8.417   7.255
  254   HD13  LEU  18          HD13      LEU  18   4.777   7.151   6.109
  255   HD21  LEU  18          HD21      LEU  18   6.187  10.428   5.814
  256   HD22  LEU  18          HD22      LEU  18   7.639  10.008   4.919
  257   HD23  LEU  18          HD23      LEU  18   7.598   9.802   6.668
  258    H    GLY  19           HN       GLY  19   9.072   4.752   5.567
  259    HA2  GLY  19           HA2      GLY  19  11.307   3.773   6.132
  260    HA3  GLY  19           HA1      GLY  19  11.335   4.885   7.495
  261   HB11  B74 100          HB11      0AA 100   2.098  -2.261  -0.778
  262   HB12  B74 100          HB12      0AA 100   3.529  -3.236  -1.111
  263    HG   B74 100           HG       0AA 100   0.650  -1.472  -2.762
  264    HE1  B74 100           HE1      0AA 100   4.151  -3.818  -3.446
  265    HE2  B74 100           HE2      0AA 100   3.123  -0.659  -6.172
  266    HZ   B74 100           HZ       0AA 100   4.551  -2.597  -5.564
  267   HB21  B74 100          HB21      0AA 100   1.212   0.665  -5.792
  268   HB22  B74 100          HB22      0AA 100   1.254   1.177  -4.101
  Start of MODEL   14
    1    H1   SER   1           HN       SER   1   8.796   2.727   6.019
    2    HA   SER   1           HA       SER   1   8.952   1.210   8.555
    3    HB2  SER   1           HB2      SER   1   6.517   1.505   8.770
    4    HB3  SER   1           HB1      SER   1   7.376   3.037   8.854
    5    HG   SER   1           HG       SER   1   5.490   2.953   7.422
    6    HA   PRO   2           HA       PRO   2   8.391  -1.445   4.724
    7    HB2  PRO   2           HB2      PRO   2   9.768  -3.638   5.750
    8    HB3  PRO   2           HB1      PRO   2  10.518  -2.329   4.813
    9    HG2  PRO   2           HG2      PRO   2  10.407  -2.707   7.777
   10    HG3  PRO   2           HG1      PRO   2  11.759  -2.176   6.758
   11    HD2  PRO   2           HD2      PRO   2  10.323  -0.419   8.181
   12    HD3  PRO   2           HD1      PRO   2  10.934   0.010   6.569
   13    H    GLU   3           HN       GLU   3   8.014  -2.254   8.143
   14    HA   GLU   3           HA       GLU   3   6.255  -4.475   7.736
   15    HB2  GLU   3           HB2      GLU   3   7.551  -3.995   9.861
   16    HB3  GLU   3           HB1      GLU   3   6.397  -2.698  10.182
   17    HG2  GLU   3           HG2      GLU   3   5.498  -4.564  11.335
   18    HG3  GLU   3           HG1      GLU   3   4.570  -4.490   9.834
   19    H    GLU   4           HN       GLU   4   5.763  -1.008   8.283
   20    HA   GLU   4           HA       GLU   4   2.963  -1.115   8.598
   21    HB2  GLU   4           HB2      GLU   4   4.324   0.869   9.135
   22    HB3  GLU   4           HB1      GLU   4   4.645   1.104   7.416
   23    HG2  GLU   4           HG2      GLU   4   2.262   1.391   6.988
   24    HG3  GLU   4           HG1      GLU   4   1.898   1.082   8.682
   25    H    ARG   5           HN       ARG   5   5.037  -0.843   5.783
   26    HA   ARG   5           HA       ARG   5   3.067  -0.457   3.820
   27    HB2  ARG   5           HB2      ARG   5   5.294  -0.058   3.225
   28    HB3  ARG   5           HB1      ARG   5   5.845  -1.616   3.818
   29    HG2  ARG   5           HG2      ARG   5   3.800  -1.633   1.610
   30    HG3  ARG   5           HG1      ARG   5   5.430  -1.124   1.184
   31    HD2  ARG   5           HD2      ARG   5   6.249  -3.281   2.344
   32    HD3  ARG   5           HD1      ARG   5   4.576  -3.785   2.352
   33    HE   ARG   5           HE       ARG   5   5.254  -2.992  -0.265
   34   HH11  ARG   5          HH11      ARG   5   5.647  -4.615  -1.795
   35   HH12  ARG   5          HH12      ARG   5   6.049  -6.217  -1.272
   36   HH21  ARG   5          HH21      ARG   5   5.873  -5.455   2.098
   37   HH22  ARG   5          HH22      ARG   5   6.177  -6.691   0.923
   38    H    ALA   6           HN       ALA   6   4.457  -3.437   5.207
   39    HA   ALA   6           HA       ALA   6   3.246  -5.274   3.470
   40    HB1  ALA   6           HB1      ALA   6   3.518  -6.900   5.319
   41    HB2  ALA   6           HB2      ALA   6   3.884  -5.568   6.417
   42    HB3  ALA   6           HB3      ALA   6   4.972  -5.931   5.078
   43    H    GLN   7           HN       GLN   7   2.050  -3.880   6.531
   44    HA   GLN   7           HA       GLN   7  -0.436  -5.319   6.483
   45    HB2  GLN   7           HB2      GLN   7   0.325  -2.689   7.808
   46    HB3  GLN   7           HB1      GLN   7  -1.172  -3.568   8.117
   47    HG2  GLN   7           HG2      GLN   7   1.615  -4.688   8.538
   48    HG3  GLN   7           HG1      GLN   7   0.576  -4.061   9.820
   49   HE21  GLN   7          HE21      GLN   7   1.554  -6.932   8.529
   50   HE22  GLN   7          HE22      GLN   7   0.166  -7.872   8.826
   51    H    LEU   8           HN       LEU   8   0.532  -2.105   5.326
   52    HA   LEU   8           HA       LEU   8  -2.040  -1.308   4.440
   53    HB2  LEU   8           HB2      LEU   8   0.713  -0.391   3.641
   54    HB3  LEU   8           HB1      LEU   8  -0.774   0.356   3.056
   55    HG   LEU   8           HG       LEU   8  -0.066   0.036   5.991
   56   HD11  LEU   8          HD11      LEU   8   0.457   2.423   5.940
   57   HD12  LEU   8          HD12      LEU   8   0.094   2.476   4.218
   58   HD13  LEU   8          HD13      LEU   8   1.477   1.552   4.794
   59   HD21  LEU   8          HD21      LEU   8  -2.402   1.206   4.492
   60   HD22  LEU   8          HD22      LEU   8  -1.886   2.009   5.975
   61   HD23  LEU   8          HD23      LEU   8  -2.379   0.322   6.019
   62    H    CYS   9           HN       CYS   9   0.617  -3.003   2.875
   63    HA   CYS   9           HA       CYS   9  -0.315  -2.949   0.230
   64    HB2  CYS   9           HB2      CYS   9   1.955  -3.791   1.153
   65    HB3  CYS   9           HB1      CYS   9   1.122  -5.317   1.430
   66    H    THR  10           HN       THR  10  -0.981  -5.130   2.917
   67    HA   THR  10           HA       THR  10  -2.549  -7.043   1.550
   68    HB   THR  10           HB       THR  10  -2.684  -6.089   4.403
   69    HG1  THR  10           HG1      THR  10  -0.680  -6.918   3.926
   70   HG21  THR  10          HG21      THR  10  -4.689  -7.279   3.994
   71   HG22  THR  10          HG22      THR  10  -3.598  -8.440   4.750
   72   HG23  THR  10          HG23      THR  10  -3.859  -8.481   3.005
   73    H    ALA  11           HN       ALA  11  -3.418  -4.019   3.229
   74    HA   ALA  11           HA       ALA  11  -6.206  -4.269   2.876
   75    HB1  ALA  11           HB1      ALA  11  -6.341  -1.962   3.414
   76    HB2  ALA  11           HB2      ALA  11  -4.727  -1.638   2.781
   77    HB3  ALA  11           HB3      ALA  11  -4.920  -2.543   4.283
   78    H    ALA  12           HN       ALA  12  -3.709  -2.772   0.810
   79    HA   ALA  12           HA       ALA  12  -5.496  -1.904  -1.227
   80    HB1  ALA  12           HB1      ALA  12  -2.529  -2.460  -1.191
   81    HB2  ALA  12           HB2      ALA  12  -3.347  -0.897  -1.198
   82    HB3  ALA  12           HB3      ALA  12  -3.366  -1.908  -2.643
   83    H    GLU  13           HN       GLU  13  -3.546  -4.838  -0.818
   84    HA   GLU  13           HA       GLU  13  -4.197  -6.033  -3.303
   85    HB2  GLU  13           HB2      GLU  13  -2.284  -6.730  -1.923
   86    HB3  GLU  13           HB1      GLU  13  -3.392  -7.327  -0.674
   87    HG2  GLU  13           HG2      GLU  13  -4.339  -8.944  -2.275
   88    HG3  GLU  13           HG1      GLU  13  -3.300  -8.315  -3.553
   89    H    LYS  14           HN       LYS  14  -5.587  -6.321  -0.078
   90    HA   LYS  14           HA       LYS  14  -7.540  -8.259  -0.687
   91    HB2  LYS  14           HB2      LYS  14  -6.869  -7.763   1.604
   92    HB3  LYS  14           HB1      LYS  14  -7.517  -6.131   1.457
   93    HG2  LYS  14           HG2      LYS  14  -9.776  -7.014   1.144
   94    HG3  LYS  14           HG1      LYS  14  -9.156  -8.664   1.089
   95    HD2  LYS  14           HD2      LYS  14 -10.037  -8.355   3.289
   96    HD3  LYS  14           HD1      LYS  14  -8.285  -8.290   3.449
   97    HE2  LYS  14           HE2      LYS  14  -8.319  -5.873   3.570
   98    HE3  LYS  14           HE1      LYS  14 -10.036  -5.831   3.175
   99    HZ1  LYS  14           HZ1      LYS  14 -10.266  -5.788   5.390
  100    HZ2  LYS  14           HZ2      LYS  14  -8.718  -6.424   5.680
  101    HZ3  LYS  14           HZ3      LYS  14 -10.006  -7.461   5.292
  102    H    ALA  15           HN       ALA  15  -7.554  -4.730  -0.814
  103    HA   ALA  15           HA       ALA  15 -10.288  -4.358  -1.333
  104    HB1  ALA  15           HB1      ALA  15  -8.503  -2.599  -0.772
  105    HB2  ALA  15           HB2      ALA  15  -9.714  -2.149  -1.971
  106    HB3  ALA  15           HB3      ALA  15  -8.100  -2.635  -2.489
  107    H    ASP  16           HN       ASP  16  -7.567  -5.019  -3.479
  108    HA   ASP  16           HA       ASP  16  -8.911  -4.661  -5.935
  109    HB2  ASP  16           HB2      ASP  16  -6.564  -6.396  -5.147
  110    HB3  ASP  16           HB1      ASP  16  -7.148  -6.278  -6.808
  111    H    GLU  17           HN       GLU  17  -8.569  -7.487  -3.808
  112    HA   GLU  17           HA       GLU  17  -9.849  -9.339  -5.518
  113    HB2  GLU  17           HB2      GLU  17  -8.492  -9.996  -3.561
  114    HB3  GLU  17           HB1      GLU  17  -9.717  -9.312  -2.489
  115    HG2  GLU  17           HG2      GLU  17 -11.382 -10.872  -3.360
  116    HG3  GLU  17           HG1      GLU  17 -10.206 -11.536  -4.493
  117    H    LEU  18           HN       LEU  18 -11.075  -7.158  -3.005
  118    HA   LEU  18           HA       LEU  18 -13.740  -8.077  -2.989
  119    HB2  LEU  18           HB2      LEU  18 -12.573  -5.378  -2.331
  120    HB3  LEU  18           HB1      LEU  18 -14.259  -5.808  -2.051
  121    HG   LEU  18           HG       LEU  18 -11.892  -7.331  -0.920
  122   HD11  LEU  18          HD11      LEU  18 -12.462  -6.252   1.204
  123   HD12  LEU  18          HD12      LEU  18 -13.755  -5.354   0.409
  124   HD13  LEU  18          HD13      LEU  18 -12.075  -5.043  -0.017
  125   HD21  LEU  18          HD21      LEU  18 -13.618  -8.888  -0.834
  126   HD22  LEU  18          HD22      LEU  18 -14.878  -7.656  -0.771
  127   HD23  LEU  18          HD23      LEU  18 -13.935  -8.031   0.670
  128    H    GLY  19           HN       GLY  19 -12.124  -5.587  -4.926
  129    HA2  GLY  19           HA2      GLY  19 -12.847  -5.355  -7.262
  130    HA3  GLY  19           HA1      GLY  19 -14.509  -5.509  -6.704
  131    H1   SER   1           HN       SER   1 -11.805  -3.552  -5.444
  132    HA   SER   1           HA       SER   1 -13.330  -1.091  -6.041
  133    HB2  SER   1           HB2      SER   1 -12.588  -0.210  -3.867
  134    HB3  SER   1           HB1      SER   1 -13.626  -1.620  -3.684
  135    HG   SER   1           HG       SER   1 -11.599  -1.575  -2.431
  136    HA   PRO   2           HA       PRO   2  -8.931  -1.085  -7.665
  137    HB2  PRO   2           HB2      PRO   2  -9.479   0.543  -9.853
  138    HB3  PRO   2           HB1      PRO   2  -9.568  -1.230  -9.874
  139    HG2  PRO   2           HG2      PRO   2 -11.766   0.767  -9.542
  140    HG3  PRO   2           HG1      PRO   2 -11.735  -0.729 -10.496
  141    HD2  PRO   2           HD2      PRO   2 -12.971  -0.618  -8.117
  142    HD3  PRO   2           HD1      PRO   2 -12.113  -2.089  -8.627
  143    H    GLU   3           HN       GLU   3 -11.221   1.580  -7.297
  144    HA   GLU   3           HA       GLU   3  -9.257   3.657  -7.173
  145    HB2  GLU   3           HB2      GLU   3 -11.728   3.987  -7.637
  146    HB3  GLU   3           HB1      GLU   3 -12.012   3.684  -5.921
  147    HG2  GLU   3           HG2      GLU   3 -11.831   6.041  -6.059
  148    HG3  GLU   3           HG1      GLU   3 -10.242   5.517  -5.495
  149    H    GLU   4           HN       GLU   4 -10.883   1.650  -4.740
  150    HA   GLU   4           HA       GLU   4  -9.904   3.016  -2.479
  151    HB2  GLU   4           HB2      GLU   4 -11.702   1.330  -2.386
  152    HB3  GLU   4           HB1      GLU   4 -10.528   0.071  -2.775
  153    HG2  GLU   4           HG2      GLU   4  -9.281   0.568  -0.742
  154    HG3  GLU   4           HG1      GLU   4 -10.377   1.894  -0.365
  155    H    ARG   5           HN       ARG   5  -8.600   0.399  -4.423
  156    HA   ARG   5           HA       ARG   5  -6.317  -0.188  -2.907
  157    HB2  ARG   5           HB2      ARG   5  -6.933  -1.702  -4.584
  158    HB3  ARG   5           HB1      ARG   5  -7.036  -0.455  -5.816
  159    HG2  ARG   5           HG2      ARG   5  -4.363  -0.850  -4.498
  160    HG3  ARG   5           HG1      ARG   5  -4.902  -2.119  -5.593
  161    HD2  ARG   5           HD2      ARG   5  -5.355  -0.234  -7.307
  162    HD3  ARG   5           HD1      ARG   5  -4.440   0.802  -6.236
  163    HE   ARG   5           HE       ARG   5  -2.927  -1.521  -6.739
  164   HH11  ARG   5          HH11      ARG   5  -1.215  -1.371  -8.214
  165   HH12  ARG   5          HH12      ARG   5  -1.176  -0.077  -9.364
  166   HH21  ARG   5          HH21      ARG   5  -4.131   1.351  -8.268
  167   HH22  ARG   5          HH22      ARG   5  -2.820   1.458  -9.397
  168    H    ALA   6           HN       ALA   6  -6.857   2.204  -5.498
  169    HA   ALA   6           HA       ALA   6  -4.201   3.045  -5.819
  170    HB1  ALA   6           HB1      ALA   6  -5.166   5.137  -6.698
  171    HB2  ALA   6           HB2      ALA   6  -6.740   4.680  -6.046
  172    HB3  ALA   6           HB3      ALA   6  -6.009   3.727  -7.338
  173    H    GLN   7           HN       GLN   7  -6.732   4.207  -3.607
  174    HA   GLN   7           HA       GLN   7  -5.085   6.220  -2.390
  175    HB2  GLN   7           HB2      GLN   7  -7.539   4.752  -1.354
  176    HB3  GLN   7           HB1      GLN   7  -6.807   6.152  -0.572
  177    HG2  GLN   7           HG2      GLN   7  -7.869   6.113  -3.411
  178    HG3  GLN   7           HG1      GLN   7  -8.728   6.784  -2.023
  179   HE21  GLN   7          HE21      GLN   7  -6.933   7.768  -4.606
  180   HE22  GLN   7          HE22      GLN   7  -6.214   9.164  -3.945
  181    H    LEU   8           HN       LEU   8  -5.788   2.827  -1.592
  182    HA   LEU   8           HA       LEU   8  -4.317   2.805   0.845
  183    HB2  LEU   8           HB2      LEU   8  -5.196   0.586  -0.986
  184    HB3  LEU   8           HB1      LEU   8  -4.382   0.312   0.552
  185    HG   LEU   8           HG       LEU   8  -6.943   1.909   0.241
  186   HD11  LEU   8          HD11      LEU   8  -8.067  -0.070   1.144
  187   HD12  LEU   8          HD12      LEU   8  -6.530  -0.927   1.197
  188   HD13  LEU   8          HD13      LEU   8  -7.227  -0.471  -0.355
  189   HD21  LEU   8          HD21      LEU   8  -5.195   1.134   2.569
  190   HD22  LEU   8          HD22      LEU   8  -6.938   1.179   2.825
  191   HD23  LEU   8          HD23      LEU   8  -6.093   2.626   2.292
  192    H    CYS   9           HN       CYS   9  -3.497   2.121  -2.502
  193    HA   CYS   9           HA       CYS   9  -0.980   0.938  -2.114
  194    HB2  CYS   9           HB2      CYS   9  -2.347   1.174  -4.294
  195    HB3  CYS   9           HB1      CYS   9  -1.618   2.771  -4.425
  196    H    THR  10           HN       THR  10  -1.990   4.298  -2.380
  197    HA   THR  10           HA       THR  10   0.550   5.531  -2.391
  198    HB   THR  10           HB       THR  10  -2.085   6.502  -1.306
  199    HG1  THR  10           HG1      THR  10  -2.228   6.035  -3.471
  200   HG21  THR  10          HG21      THR  10  -0.431   7.936  -0.415
  201   HG22  THR  10          HG22      THR  10  -1.044   8.764  -1.846
  202   HG23  THR  10          HG23      THR  10   0.501   7.914  -1.914
  203    H    ALA  11           HN       ALA  11  -1.619   4.607   0.278
  204    HA   ALA  11           HA       ALA  11  -0.055   5.705   2.349
  205    HB1  ALA  11           HB1      ALA  11  -1.350   4.377   3.834
  206    HB2  ALA  11           HB2      ALA  11  -1.661   3.160   2.596
  207    HB3  ALA  11           HB3      ALA  11  -2.432   4.743   2.490
  208    H    ALA  12           HN       ALA  12  -0.049   2.471   0.844
  209    HA   ALA  12           HA       ALA  12   2.025   1.394   2.463
  210    HB1  ALA  12           HB1      ALA  12   0.948   0.658  -0.259
  211    HB2  ALA  12           HB2      ALA  12   0.670  -0.158   1.279
  212    HB3  ALA  12           HB3      ALA  12   2.255  -0.239   0.512
  213    H    GLU  13           HN       GLU  13   2.015   2.994  -0.701
  214    HA   GLU  13           HA       GLU  13   4.789   2.718  -1.225
  215    HB2  GLU  13           HB2      GLU  13   3.128   3.243  -2.962
  216    HB3  GLU  13           HB1      GLU  13   2.823   4.818  -2.207
  217    HG2  GLU  13           HG2      GLU  13   5.172   5.464  -2.586
  218    HG3  GLU  13           HG1      GLU  13   5.516   3.877  -3.273
  219    H    LYS  14           HN       LYS  14   2.874   5.289   0.241
  220    HA   LYS  14           HA       LYS  14   4.975   7.124   0.643
  221    HB2  LYS  14           HB2      LYS  14   2.628   7.787   0.724
  222    HB3  LYS  14           HB1      LYS  14   2.378   6.785   2.150
  223    HG2  LYS  14           HG2      LYS  14   3.951   8.148   3.433
  224    HG3  LYS  14           HG1      LYS  14   4.384   9.062   1.988
  225    HD2  LYS  14           HD2      LYS  14   2.853  10.430   3.212
  226    HD3  LYS  14           HD1      LYS  14   1.945   9.773   1.853
  227    HE2  LYS  14           HE2      LYS  14   0.902   8.111   3.265
  228    HE3  LYS  14           HE1      LYS  14   1.948   8.537   4.621
  229    HZ1  LYS  14           HZ1      LYS  14   0.239   9.853   5.177
  230    HZ2  LYS  14           HZ2      LYS  14  -0.420   9.855   3.612
  231    HZ3  LYS  14           HZ3      LYS  14   0.862  10.901   3.997
  232    H    ALA  15           HN       ALA  15   3.680   4.500   2.619
  233    HA   ALA  15           HA       ALA  15   5.122   5.017   4.973
  234    HB1  ALA  15           HB1      ALA  15   3.206   3.351   4.596
  235    HB2  ALA  15           HB2      ALA  15   4.522   2.825   5.646
  236    HB3  ALA  15           HB3      ALA  15   4.441   2.253   3.980
  237    H    ASP  16           HN       ASP  16   5.966   3.217   2.060
  238    HA   ASP  16           HA       ASP  16   8.394   2.106   2.978
  239    HB2  ASP  16           HB2      ASP  16   7.438   2.877   0.216
  240    HB3  ASP  16           HB1      ASP  16   8.992   2.091   0.501
  241    H    GLU  17           HN       GLU  17   7.638   5.217   1.439
  242    HA   GLU  17           HA       GLU  17  10.307   6.108   1.175
  243    HB2  GLU  17           HB2      GLU  17   8.400   7.147   0.000
  244    HB3  GLU  17           HB1      GLU  17   7.779   7.737   1.545
  245    HG2  GLU  17           HG2      GLU  17   9.813   9.041   1.893
  246    HG3  GLU  17           HG1      GLU  17  10.499   8.423   0.392
  247    H    LEU  18           HN       LEU  18   7.927   6.421   3.782
  248    HA   LEU  18           HA       LEU  18   9.418   8.151   5.434
  249    HB2  LEU  18           HB2      LEU  18   7.313   6.101   6.099
  250    HB3  LEU  18           HB1      LEU  18   7.983   7.228   7.277
  251    HG   LEU  18           HG       LEU  18   6.659   8.057   4.676
  252   HD11  LEU  18          HD11      LEU  18   4.748   8.688   6.073
  253   HD12  LEU  18          HD12      LEU  18   5.583   8.079   7.501
  254   HD13  LEU  18          HD13      LEU  18   5.087   6.967   6.230
  255   HD21  LEU  18          HD21      LEU  18   7.946   9.911   5.238
  256   HD22  LEU  18          HD22      LEU  18   7.939   9.536   6.961
  257   HD23  LEU  18          HD23      LEU  18   6.517  10.255   6.206
  258    H    GLY  19           HN       GLY  19   9.317   4.616   5.215
  259    HA2  GLY  19           HA2      GLY  19  11.431   3.419   5.573
  260    HA3  GLY  19           HA1      GLY  19  11.754   4.502   6.920
  261   HB11  B74 100          HB11      0AA 100   1.986  -2.550  -0.770
  262   HB12  B74 100          HB12      0AA 100   3.321  -3.551  -1.349
  263    HG   B74 100           HG       0AA 100   0.308  -1.678  -2.247
  264    HE1  B74 100           HE1      0AA 100   3.595  -4.035  -3.695
  265    HE2  B74 100           HE2      0AA 100   1.315  -1.609  -6.427
  266    HZ   B74 100           HZ       0AA 100   3.206  -3.163  -5.989
  267   HB21  B74 100          HB21      0AA 100  -1.265  -0.806  -3.862
  268   HB22  B74 100          HB22      0AA 100  -0.983  -0.956  -5.600
  Start of MODEL   15
    1    H1   SER   1           HN       SER   1   8.881   2.513   5.572
    2    HA   SER   1           HA       SER   1   8.931   1.130   8.178
    3    HB2  SER   1           HB2      SER   1   7.564   3.146   8.408
    4    HB3  SER   1           HB1      SER   1   6.598   2.652   7.019
    5    HG   SER   1           HG       SER   1   6.768   0.600   8.672
    6    HA   PRO   2           HA       PRO   2   7.933  -1.623   4.496
    7    HB2  PRO   2           HB2      PRO   2   9.280  -3.834   5.535
    8    HB3  PRO   2           HB1      PRO   2  10.003  -2.631   4.446
    9    HG2  PRO   2           HG2      PRO   2  10.168  -2.818   7.425
   10    HG3  PRO   2           HG1      PRO   2  11.436  -2.432   6.246
   11    HD2  PRO   2           HD2      PRO   2  10.261  -0.502   7.667
   12    HD3  PRO   2           HD1      PRO   2  10.701  -0.227   5.970
   13    H    GLU   3           HN       GLU   3   7.781  -2.167   7.975
   14    HA   GLU   3           HA       GLU   3   5.926  -4.337   7.924
   15    HB2  GLU   3           HB2      GLU   3   6.626  -2.269  10.016
   16    HB3  GLU   3           HB1      GLU   3   5.534  -3.628  10.310
   17    HG2  GLU   3           HG2      GLU   3   7.255  -5.226   9.863
   18    HG3  GLU   3           HG1      GLU   3   8.328  -3.983   9.211
   19    H    GLU   4           HN       GLU   4   5.600  -0.814   8.099
   20    HA   GLU   4           HA       GLU   4   2.773  -0.822   8.434
   21    HB2  GLU   4           HB2      GLU   4   4.133   1.147   8.958
   22    HB3  GLU   4           HB1      GLU   4   4.578   1.306   7.258
   23    HG2  GLU   4           HG2      GLU   4   2.244   1.671   6.652
   24    HG3  GLU   4           HG1      GLU   4   1.746   1.410   8.323
   25    H    ARG   5           HN       ARG   5   4.915  -0.688   5.627
   26    HA   ARG   5           HA       ARG   5   2.946  -0.323   3.662
   27    HB2  ARG   5           HB2      ARG   5   5.187   0.012   3.031
   28    HB3  ARG   5           HB1      ARG   5   5.710  -1.547   3.669
   29    HG2  ARG   5           HG2      ARG   5   3.630  -1.655   1.508
   30    HG3  ARG   5           HG1      ARG   5   5.226  -1.080   1.016
   31    HD2  ARG   5           HD2      ARG   5   6.290  -3.093   1.907
   32    HD3  ARG   5           HD1      ARG   5   4.749  -3.675   2.526
   33    HE   ARG   5           HE       ARG   5   4.626  -3.184  -0.301
   34   HH11  ARG   5          HH11      ARG   5   4.526  -5.018  -1.644
   35   HH12  ARG   5          HH12      ARG   5   4.972  -6.570  -1.015
   36   HH21  ARG   5          HH21      ARG   5   5.705  -5.365   2.155
   37   HH22  ARG   5          HH22      ARG   5   5.641  -6.766   1.139
   38    H    ALA   6           HN       ALA   6   4.300  -3.295   5.084
   39    HA   ALA   6           HA       ALA   6   2.977  -5.100   3.411
   40    HB1  ALA   6           HB1      ALA   6   4.806  -5.572   5.115
   41    HB2  ALA   6           HB2      ALA   6   3.507  -6.762   5.019
   42    HB3  ALA   6           HB3      ALA   6   3.532  -5.586   6.333
   43    H    GLN   7           HN       GLN   7   1.938  -3.687   6.511
   44    HA   GLN   7           HA       GLN   7  -0.525  -5.120   6.637
   45    HB2  GLN   7           HB2      GLN   7   0.557  -3.920   8.549
   46    HB3  GLN   7           HB1      GLN   7   0.126  -2.392   7.783
   47    HG2  GLN   7           HG2      GLN   7  -2.259  -3.009   7.872
   48    HG3  GLN   7           HG1      GLN   7  -1.830  -4.538   8.641
   49   HE21  GLN   7          HE21      GLN   7  -2.513  -4.307  10.787
   50   HE22  GLN   7          HE22      GLN   7  -2.109  -2.991  11.787
   51    H    LEU   8           HN       LEU   8   0.344  -1.931   5.331
   52    HA   LEU   8           HA       LEU   8  -2.294  -1.223   4.538
   53    HB2  LEU   8           HB2      LEU   8   0.455  -0.189   4.022
   54    HB3  LEU   8           HB1      LEU   8  -0.803   0.311   2.902
   55    HG   LEU   8           HG       LEU   8  -0.400   1.851   4.908
   56   HD11  LEU   8          HD11      LEU   8  -3.243   0.848   4.941
   57   HD12  LEU   8          HD12      LEU   8  -2.592   1.595   3.486
   58   HD13  LEU   8          HD13      LEU   8  -2.640   2.501   4.994
   59   HD21  LEU   8          HD21      LEU   8  -2.064  -0.065   6.532
   60   HD22  LEU   8          HD22      LEU   8  -0.994   1.226   7.066
   61   HD23  LEU   8          HD23      LEU   8  -0.318  -0.282   6.471
   62    H    CYS   9           HN       CYS   9   0.358  -2.874   2.905
   63    HA   CYS   9           HA       CYS   9  -0.765  -2.956   0.330
   64    HB2  CYS   9           HB2      CYS   9   1.311  -4.479   1.818
   65    HB3  CYS   9           HB1      CYS   9   0.645  -5.275   0.394
   66    H    THR  10           HN       THR  10  -1.231  -5.008   3.167
   67    HA   THR  10           HA       THR  10  -2.756  -7.038   1.930
   68    HB   THR  10           HB       THR  10  -2.909  -5.933   4.724
   69    HG1  THR  10           HG1      THR  10  -1.116  -6.943   4.998
   70   HG21  THR  10          HG21      THR  10  -3.923  -8.484   3.489
   71   HG22  THR  10          HG22      THR  10  -4.855  -7.254   4.346
   72   HG23  THR  10          HG23      THR  10  -3.717  -8.274   5.228
   73    H    ALA  11           HN       ALA  11  -3.736  -3.985   3.505
   74    HA   ALA  11           HA       ALA  11  -6.511  -4.379   3.139
   75    HB1  ALA  11           HB1      ALA  11  -5.844  -2.647   4.623
   76    HB2  ALA  11           HB2      ALA  11  -6.588  -1.830   3.250
   77    HB3  ALA  11           HB3      ALA  11  -4.832  -1.887   3.398
   78    H    ALA  12           HN       ALA  12  -4.084  -2.751   1.091
   79    HA   ALA  12           HA       ALA  12  -5.930  -2.010  -0.956
   80    HB1  ALA  12           HB1      ALA  12  -3.152  -1.642  -0.411
   81    HB2  ALA  12           HB2      ALA  12  -4.107  -0.849  -1.658
   82    HB3  ALA  12           HB3      ALA  12  -3.256  -2.348  -2.022
   83    H    GLU  13           HN       GLU  13  -3.742  -4.749  -0.527
   84    HA   GLU  13           HA       GLU  13  -4.196  -5.968  -3.023
   85    HB2  GLU  13           HB2      GLU  13  -2.294  -6.528  -1.577
   86    HB3  GLU  13           HB1      GLU  13  -3.397  -7.218  -0.370
   87    HG2  GLU  13           HG2      GLU  13  -4.158  -8.890  -2.019
   88    HG3  GLU  13           HG1      GLU  13  -3.127  -8.169  -3.251
   89    H    LYS  14           HN       LYS  14  -5.722  -6.429   0.142
   90    HA   LYS  14           HA       LYS  14  -7.481  -8.485  -0.670
   91    HB2  LYS  14           HB2      LYS  14  -6.985  -8.045   1.676
   92    HB3  LYS  14           HB1      LYS  14  -7.743  -6.458   1.564
   93    HG2  LYS  14           HG2      LYS  14  -9.904  -7.536   1.003
   94    HG3  LYS  14           HG1      LYS  14  -9.131  -9.121   1.085
   95    HD2  LYS  14           HD2      LYS  14  -8.592  -8.726   3.466
   96    HD3  LYS  14           HD1      LYS  14  -9.379  -7.148   3.377
   97    HE2  LYS  14           HE2      LYS  14 -11.509  -8.233   2.778
   98    HE3  LYS  14           HE1      LYS  14 -10.729  -9.813   2.847
   99    HZ1  LYS  14           HZ1      LYS  14 -11.133  -9.852   5.006
  100    HZ2  LYS  14           HZ2      LYS  14 -11.810  -8.295   4.953
  101    HZ3  LYS  14           HZ3      LYS  14 -10.143  -8.492   5.221
  102    H    ALA  15           HN       ALA  15  -7.844  -4.960  -0.503
  103    HA   ALA  15           HA       ALA  15 -10.541  -4.855  -1.309
  104    HB1  ALA  15           HB1      ALA  15  -9.254  -2.969  -0.281
  105    HB2  ALA  15           HB2      ALA  15 -10.151  -2.508  -1.728
  106    HB3  ALA  15           HB3      ALA  15  -8.410  -2.772  -1.817
  107    H    ASP  16           HN       ASP  16  -7.537  -4.905  -3.129
  108    HA   ASP  16           HA       ASP  16  -8.577  -4.319  -5.671
  109    HB2  ASP  16           HB2      ASP  16  -6.168  -4.343  -5.164
  110    HB3  ASP  16           HB1      ASP  16  -6.231  -6.095  -4.960
  111    H    GLU  17           HN       GLU  17  -8.193  -7.419  -3.969
  112    HA   GLU  17           HA       GLU  17  -9.047  -9.070  -6.087
  113    HB2  GLU  17           HB2      GLU  17  -7.859  -9.903  -4.085
  114    HB3  GLU  17           HB1      GLU  17  -9.274  -9.522  -3.100
  115    HG2  GLU  17           HG2      GLU  17 -10.632 -11.073  -4.415
  116    HG3  GLU  17           HG1      GLU  17  -9.255 -11.433  -5.453
  117    H    LEU  18           HN       LEU  18 -10.793  -7.445  -3.463
  118    HA   LEU  18           HA       LEU  18 -13.307  -8.627  -3.917
  119    HB2  LEU  18           HB2      LEU  18 -12.547  -5.962  -2.741
  120    HB3  LEU  18           HB1      LEU  18 -14.197  -6.584  -2.750
  121    HG   LEU  18           HG       LEU  18 -11.824  -8.047  -1.553
  122   HD11  LEU  18          HD11      LEU  18 -13.921  -6.255  -0.336
  123   HD12  LEU  18          HD12      LEU  18 -12.169  -6.104  -0.230
  124   HD13  LEU  18          HD13      LEU  18 -12.994  -7.409   0.619
  125   HD21  LEU  18          HD21      LEU  18 -13.937  -9.153  -0.339
  126   HD22  LEU  18          HD22      LEU  18 -13.383  -9.736  -1.903
  127   HD23  LEU  18          HD23      LEU  18 -14.761  -8.642  -1.814
  128    H    GLY  19           HN       GLY  19 -11.792  -5.739  -5.276
  129    HA2  GLY  19           HA2      GLY  19 -12.301  -5.315  -7.668
  130    HA3  GLY  19           HA1      GLY  19 -13.997  -5.570  -7.272
  131    H1   SER   1           HN       SER   1 -11.327  -3.640  -5.860
  132    HA   SER   1           HA       SER   1 -12.955  -1.214  -6.192
  133    HB2  SER   1           HB2      SER   1 -13.362  -2.015  -3.918
  134    HB3  SER   1           HB1      SER   1 -11.624  -2.046  -3.616
  135    HG   SER   1           HG       SER   1 -12.147   0.299  -4.627
  136    HA   PRO   2           HA       PRO   2  -8.446  -0.849  -7.484
  137    HB2  PRO   2           HB2      PRO   2  -8.998   0.839  -9.634
  138    HB3  PRO   2           HB1      PRO   2  -8.885  -0.930  -9.740
  139    HG2  PRO   2           HG2      PRO   2 -11.315   0.794  -9.505
  140    HG3  PRO   2           HG1      PRO   2 -11.041  -0.640 -10.514
  141    HD2  PRO   2           HD2      PRO   2 -12.461  -0.804  -8.257
  142    HD3  PRO   2           HD1      PRO   2 -11.378  -2.126  -8.738
  143    H    GLU   3           HN       GLU   3 -11.007   1.546  -7.113
  144    HA   GLU   3           HA       GLU   3  -9.330   3.832  -6.788
  145    HB2  GLU   3           HB2      GLU   3 -12.146   3.199  -5.888
  146    HB3  GLU   3           HB1      GLU   3 -11.388   4.784  -5.690
  147    HG2  GLU   3           HG2      GLU   3 -11.119   5.049  -8.052
  148    HG3  GLU   3           HG1      GLU   3 -11.545   3.360  -8.353
  149    H    GLU   4           HN       GLU   4 -10.727   1.465  -4.553
  150    HA   GLU   4           HA       GLU   4  -9.796   2.745  -2.187
  151    HB2  GLU   4           HB2      GLU   4 -11.575   1.063  -2.130
  152    HB3  GLU   4           HB1      GLU   4 -10.443  -0.172  -2.683
  153    HG2  GLU   4           HG2      GLU   4  -9.100   0.119  -0.670
  154    HG3  GLU   4           HG1      GLU   4 -10.143   1.434  -0.135
  155    H    ARG   5           HN       ARG   5  -8.471   0.265  -4.323
  156    HA   ARG   5           HA       ARG   5  -6.178  -0.340  -2.828
  157    HB2  ARG   5           HB2      ARG   5  -6.743  -1.799  -4.586
  158    HB3  ARG   5           HB1      ARG   5  -6.869  -0.492  -5.766
  159    HG2  ARG   5           HG2      ARG   5  -4.186  -0.800  -4.462
  160    HG3  ARG   5           HG1      ARG   5  -4.677  -2.120  -5.527
  161    HD2  ARG   5           HD2      ARG   5  -5.075  -0.553  -7.370
  162    HD3  ARG   5           HD1      ARG   5  -4.682   0.812  -6.331
  163    HE   ARG   5           HE       ARG   5  -2.532  -1.092  -6.420
  164   HH11  ARG   5          HH11      ARG   5  -0.672  -0.468  -7.573
  165   HH12  ARG   5          HH12      ARG   5  -0.756   0.851  -8.693
  166   HH21  ARG   5          HH21      ARG   5  -4.119   1.474  -8.108
  167   HH22  ARG   5          HH22      ARG   5  -2.711   1.953  -8.996
  168    H    ALA   6           HN       ALA   6  -6.743   2.116  -5.345
  169    HA   ALA   6           HA       ALA   6  -4.112   3.037  -5.539
  170    HB1  ALA   6           HB1      ALA   6  -6.104   3.621  -7.012
  171    HB2  ALA   6           HB2      ALA   6  -5.011   4.950  -6.622
  172    HB3  ALA   6           HB3      ALA   6  -6.549   4.797  -5.775
  173    H    GLN   7           HN       GLN   7  -6.749   4.124  -3.422
  174    HA   GLN   7           HA       GLN   7  -5.250   6.192  -2.160
  175    HB2  GLN   7           HB2      GLN   7  -7.740   5.980  -2.086
  176    HB3  GLN   7           HB1      GLN   7  -7.555   4.583  -1.026
  177    HG2  GLN   7           HG2      GLN   7  -6.364   5.979   0.622
  178    HG3  GLN   7           HG1      GLN   7  -6.544   7.379  -0.437
  179   HE21  GLN   7          HE21      GLN   7  -8.090   8.679   0.582
  180   HE22  GLN   7          HE22      GLN   7  -9.602   8.123   1.131
  181    H    LEU   8           HN       LEU   8  -5.766   2.760  -1.389
  182    HA   LEU   8           HA       LEU   8  -4.341   2.860   1.086
  183    HB2  LEU   8           HB2      LEU   8  -5.515   0.757  -0.667
  184    HB3  LEU   8           HB1      LEU   8  -4.239   0.227   0.418
  185    HG   LEU   8           HG       LEU   8  -6.615   0.045   1.325
  186   HD11  LEU   8          HD11      LEU   8  -5.015   1.893   3.087
  187   HD12  LEU   8          HD12      LEU   8  -4.390   0.293   2.696
  188   HD13  LEU   8          HD13      LEU   8  -5.938   0.456   3.517
  189   HD21  LEU   8          HD21      LEU   8  -6.500   2.991   1.922
  190   HD22  LEU   8          HD22      LEU   8  -7.891   1.917   1.814
  191   HD23  LEU   8          HD23      LEU   8  -7.096   2.469   0.347
  192    H    CYS   9           HN       CYS   9  -3.451   2.140  -2.247
  193    HA   CYS   9           HA       CYS   9  -0.854   1.165  -1.763
  194    HB2  CYS   9           HB2      CYS   9  -2.377   2.213  -4.059
  195    HB3  CYS   9           HB1      CYS   9  -0.642   2.474  -4.197
  196    H    THR  10           HN       THR  10  -2.121   4.443  -2.060
  197    HA   THR  10           HA       THR  10   0.337   5.825  -2.132
  198    HB   THR  10           HB       THR  10  -2.302   6.644  -0.943
  199    HG1  THR  10           HG1      THR  10  -2.898   6.874  -2.923
  200   HG21  THR  10          HG21      THR  10   0.135   8.215  -1.760
  201   HG22  THR  10          HG22      THR  10  -0.618   8.151  -0.166
  202   HG23  THR  10          HG23      THR  10  -1.447   8.950  -1.503
  203    H    ALA  11           HN       ALA  11  -1.706   4.845   0.623
  204    HA   ALA  11           HA       ALA  11  -0.077   6.004   2.609
  205    HB1  ALA  11           HB1      ALA  11  -2.268   5.299   3.226
  206    HB2  ALA  11           HB2      ALA  11  -1.156   4.239   4.093
  207    HB3  ALA  11           HB3      ALA  11  -1.977   3.663   2.642
  208    H    ALA  12           HN       ALA  12  -0.100   2.729   1.190
  209    HA   ALA  12           HA       ALA  12   2.066   1.760   2.773
  210    HB1  ALA  12           HB1      ALA  12   0.263   0.697   0.856
  211    HB2  ALA  12           HB2      ALA  12   1.433  -0.201   1.817
  212    HB3  ALA  12           HB3      ALA  12   1.876   0.386   0.215
  213    H    GLU  13           HN       GLU  13   1.845   3.180  -0.457
  214    HA   GLU  13           HA       GLU  13   4.557   2.852  -1.174
  215    HB2  GLU  13           HB2      GLU  13   2.775   3.359  -2.799
  216    HB3  GLU  13           HB1      GLU  13   2.568   4.967  -2.082
  217    HG2  GLU  13           HG2      GLU  13   4.901   5.523  -2.659
  218    HG3  GLU  13           HG1      GLU  13   5.146   3.904  -3.308
  219    H    LYS  14           HN       LYS  14   2.807   5.533   0.341
  220    HA   LYS  14           HA       LYS  14   5.020   7.281   0.516
  221    HB2  LYS  14           HB2      LYS  14   2.719   8.060   0.733
  222    HB3  LYS  14           HB1      LYS  14   2.517   7.124   2.212
  223    HG2  LYS  14           HG2      LYS  14   4.315   8.449   3.288
  224    HG3  LYS  14           HG1      LYS  14   4.532   9.362   1.792
  225    HD2  LYS  14           HD2      LYS  14   2.202  10.174   1.962
  226    HD3  LYS  14           HD1      LYS  14   2.004   9.272   3.466
  227    HE2  LYS  14           HE2      LYS  14   3.820  10.575   4.500
  228    HE3  LYS  14           HE1      LYS  14   4.041  11.470   2.997
  229    HZ1  LYS  14           HZ1      LYS  14   2.466  12.851   3.664
  230    HZ2  LYS  14           HZ2      LYS  14   2.189  11.932   5.066
  231    HZ3  LYS  14           HZ3      LYS  14   1.341  11.584   3.635
  232    H    ALA  15           HN       ALA  15   3.664   4.907   2.777
  233    HA   ALA  15           HA       ALA  15   5.431   5.418   4.911
  234    HB1  ALA  15           HB1      ALA  15   3.300   4.100   5.052
  235    HB2  ALA  15           HB2      ALA  15   4.681   3.315   5.818
  236    HB3  ALA  15           HB3      ALA  15   4.127   2.777   4.233
  237    H    ASP  16           HN       ASP  16   5.646   3.294   2.120
  238    HA   ASP  16           HA       ASP  16   7.934   1.848   2.872
  239    HB2  ASP  16           HB2      ASP  16   6.500   1.223   0.972
  240    HB3  ASP  16           HB1      ASP  16   7.040   2.656   0.095
  241    H    GLU  17           HN       GLU  17   7.597   4.922   1.115
  242    HA   GLU  17           HA       GLU  17  10.335   5.293   0.566
  243    HB2  GLU  17           HB2      GLU  17   8.528   6.552  -0.556
  244    HB3  GLU  17           HB1      GLU  17   8.169   7.372   0.966
  245    HG2  GLU  17           HG2      GLU  17  10.425   8.313   1.015
  246    HG3  GLU  17           HG1      GLU  17  10.838   7.463  -0.472
  247    H    LEU  18           HN       LEU  18   8.292   6.234   3.306
  248    HA   LEU  18           HA       LEU  18  10.185   7.834   4.637
  249    HB2  LEU  18           HB2      LEU  18   7.866   6.222   5.675
  250    HB3  LEU  18           HB1      LEU  18   8.814   7.315   6.681
  251    HG   LEU  18           HG       LEU  18   7.396   8.136   4.128
  252   HD11  LEU  18          HD11      LEU  18   6.590   8.274   7.029
  253   HD12  LEU  18          HD12      LEU  18   5.695   7.582   5.679
  254   HD13  LEU  18          HD13      LEU  18   5.881   9.328   5.809
  255   HD21  LEU  18          HD21      LEU  18   7.733  10.442   5.446
  256   HD22  LEU  18          HD22      LEU  18   8.999   9.796   4.414
  257   HD23  LEU  18          HD23      LEU  18   9.091   9.569   6.159
  258    H    GLY  19           HN       GLY  19   9.529   4.365   4.784
  259    HA2  GLY  19           HA2      GLY  19  11.527   2.922   5.060
  260    HA3  GLY  19           HA1      GLY  19  12.034   4.001   6.355
  261   HB11  B74 100          HB11      0AA 100   1.596  -4.937  -1.864
  262   HB12  B74 100          HB12      0AA 100   0.123  -3.976  -1.724
  263    HG   B74 100           HG       0AA 100   0.229  -1.530  -2.434
  264    HE1  B74 100           HE1      0AA 100   2.909  -4.597  -3.779
  265    HE2  B74 100           HE2      0AA 100   2.186  -1.138  -6.240
  266    HZ   B74 100           HZ       0AA 100   3.256  -3.358  -5.905
  267   HB21  B74 100          HB21      0AA 100   0.736   0.558  -5.510
  268   HB22  B74 100          HB22      0AA 100   1.057   0.930  -3.815
  Start of MODEL   16
    1    H1   SER   1           HN       SER   1   8.580   2.233   5.705
    2    HA   SER   1           HA       SER   1   8.724   1.313   8.516
    3    HB2  SER   1           HB2      SER   1   6.277   1.717   8.710
    4    HB3  SER   1           HB1      SER   1   7.225   3.194   8.588
    5    HG   SER   1           HG       SER   1   6.712   3.239   6.364
    6    HA   PRO   2           HA       PRO   2   8.127  -2.118   5.418
    7    HB2  PRO   2           HB2      PRO   2   9.347  -3.534   7.768
    8    HB3  PRO   2           HB1      PRO   2   9.727  -3.681   6.038
    9    HG2  PRO   2           HG2      PRO   2  11.338  -2.349   7.674
   10    HG3  PRO   2           HG1      PRO   2  11.032  -1.766   6.026
   11    HD2  PRO   2           HD2      PRO   2   9.939  -0.741   8.627
   12    HD3  PRO   2           HD1      PRO   2  10.402   0.160   7.164
   13    H    GLU   3           HN       GLU   3   7.504  -2.076   8.927
   14    HA   GLU   3           HA       GLU   3   5.644  -4.212   8.999
   15    HB2  GLU   3           HB2      GLU   3   6.025  -1.785  10.771
   16    HB3  GLU   3           HB1      GLU   3   4.897  -3.092  11.141
   17    HG2  GLU   3           HG2      GLU   3   6.650  -4.699  11.277
   18    HG3  GLU   3           HG1      GLU   3   7.820  -3.584  10.557
   19    H    GLU   4           HN       GLU   4   5.212  -0.710   8.585
   20    HA   GLU   4           HA       GLU   4   2.361  -0.818   8.431
   21    HB2  GLU   4           HB2      GLU   4   4.376   1.224   7.501
   22    HB3  GLU   4           HB1      GLU   4   2.637   1.446   7.343
   23    HG2  GLU   4           HG2      GLU   4   2.331   1.255   9.735
   24    HG3  GLU   4           HG1      GLU   4   4.035   0.860   9.965
   25    H    ARG   5           HN       ARG   5   4.984  -1.034   6.074
   26    HA   ARG   5           HA       ARG   5   3.431  -0.871   3.746
   27    HB2  ARG   5           HB2      ARG   5   5.789  -0.732   3.531
   28    HB3  ARG   5           HB1      ARG   5   6.037  -2.249   4.390
   29    HG2  ARG   5           HG2      ARG   5   4.328  -2.521   1.960
   30    HG3  ARG   5           HG1      ARG   5   5.980  -2.011   1.625
   31    HD2  ARG   5           HD2      ARG   5   6.870  -3.900   2.913
   32    HD3  ARG   5           HD1      ARG   5   5.237  -4.414   3.320
   33    HE   ARG   5           HE       ARG   5   5.431  -4.237   0.510
   34   HH11  ARG   5          HH11      ARG   5   5.731  -6.133  -0.695
   35   HH12  ARG   5          HH12      ARG   5   6.370  -7.547   0.074
   36   HH21  ARG   5          HH21      ARG   5   6.663  -6.043   3.185
   37   HH22  ARG   5          HH22      ARG   5   6.899  -7.498   2.273
   38    H    ALA   6           HN       ALA   6   4.404  -3.711   5.678
   39    HA   ALA   6           HA       ALA   6   3.232  -5.654   4.030
   40    HB1  ALA   6           HB1      ALA   6   3.670  -5.633   7.025
   41    HB2  ALA   6           HB2      ALA   6   4.779  -6.258   5.804
   42    HB3  ALA   6           HB3      ALA   6   3.237  -7.066   6.093
   43    H    GLN   7           HN       GLN   7   1.924  -3.882   6.819
   44    HA   GLN   7           HA       GLN   7  -0.651  -5.155   6.693
   45    HB2  GLN   7           HB2      GLN   7   0.243  -4.086   8.745
   46    HB3  GLN   7           HB1      GLN   7   0.114  -2.513   7.958
   47    HG2  GLN   7           HG2      GLN   7  -2.289  -2.750   7.742
   48    HG3  GLN   7           HG1      GLN   7  -2.220  -4.403   8.355
   49   HE21  GLN   7          HE21      GLN   7  -3.837  -2.520   9.697
   50   HE22  GLN   7          HE22      GLN   7  -3.133  -2.154  11.202
   51    H    LEU   8           HN       LEU   8   0.617  -2.050   5.525
   52    HA   LEU   8           HA       LEU   8  -1.822  -1.062   4.515
   53    HB2  LEU   8           HB2      LEU   8   1.042  -0.429   3.858
   54    HB3  LEU   8           HB1      LEU   8  -0.319   0.424   3.131
   55    HG   LEU   8           HG       LEU   8   0.049   0.157   6.134
   56   HD11  LEU   8          HD11      LEU   8   1.946   1.381   5.099
   57   HD12  LEU   8          HD12      LEU   8   0.936   2.433   6.092
   58   HD13  LEU   8          HD13      LEU   8   0.792   2.475   4.337
   59   HD21  LEU   8          HD21      LEU   8  -1.842   1.652   4.327
   60   HD22  LEU   8          HD22      LEU   8  -1.424   2.333   5.899
   61   HD23  LEU   8          HD23      LEU   8  -2.180   0.751   5.804
   62    H    CYS   9           HN       CYS   9   0.775  -2.920   3.030
   63    HA   CYS   9           HA       CYS   9  -0.228  -2.859   0.399
   64    HB2  CYS   9           HB2      CYS   9   2.099  -3.586   1.202
   65    HB3  CYS   9           HB1      CYS   9   1.366  -5.150   1.541
   66    H    THR  10           HN       THR  10  -0.841  -4.999   3.142
   67    HA   THR  10           HA       THR  10  -2.324  -6.993   1.788
   68    HB   THR  10           HB       THR  10  -2.606  -5.978   4.613
   69    HG1  THR  10           HG1      THR  10  -0.544  -6.953   3.681
   70   HG21  THR  10          HG21      THR  10  -3.520  -8.284   5.011
   71   HG22  THR  10          HG22      THR  10  -3.561  -8.502   3.261
   72   HG23  THR  10          HG23      THR  10  -4.556  -7.259   4.018
   73    H    ALA  11           HN       ALA  11  -3.326  -3.936   3.311
   74    HA   ALA  11           HA       ALA  11  -6.099  -4.241   2.897
   75    HB1  ALA  11           HB1      ALA  11  -5.041  -2.501   4.345
   76    HB2  ALA  11           HB2      ALA  11  -6.231  -1.836   3.224
   77    HB3  ALA  11           HB3      ALA  11  -4.508  -1.664   2.887
   78    H    ALA  12           HN       ALA  12  -3.567  -2.767   0.870
   79    HA   ALA  12           HA       ALA  12  -5.326  -1.996  -1.241
   80    HB1  ALA  12           HB1      ALA  12  -2.400  -2.626  -1.601
   81    HB2  ALA  12           HB2      ALA  12  -2.926  -1.169  -0.763
   82    HB3  ALA  12           HB3      ALA  12  -3.381  -1.428  -2.446
   83    H    GLU  13           HN       GLU  13  -3.279  -4.839  -0.658
   84    HA   GLU  13           HA       GLU  13  -3.765  -6.105  -3.142
   85    HB2  GLU  13           HB2      GLU  13  -1.901  -6.728  -1.650
   86    HB3  GLU  13           HB1      GLU  13  -3.055  -7.339  -0.452
   87    HG2  GLU  13           HG2      GLU  13  -2.211  -9.210  -1.793
   88    HG3  GLU  13           HG1      GLU  13  -3.905  -8.955  -2.192
   89    H    LYS  14           HN       LYS  14  -5.310  -6.409   0.036
   90    HA   LYS  14           HA       LYS  14  -7.170  -8.410  -0.686
   91    HB2  LYS  14           HB2      LYS  14  -6.648  -7.913   1.641
   92    HB3  LYS  14           HB1      LYS  14  -7.324  -6.296   1.457
   93    HG2  LYS  14           HG2      LYS  14  -9.542  -7.209   1.038
   94    HG3  LYS  14           HG1      LYS  14  -8.898  -8.851   0.967
   95    HD2  LYS  14           HD2      LYS  14  -9.878  -8.596   3.141
   96    HD3  LYS  14           HD1      LYS  14  -8.131  -8.526   3.368
   97    HE2  LYS  14           HE2      LYS  14  -8.173  -6.121   3.538
   98    HE3  LYS  14           HE1      LYS  14  -9.868  -6.064   3.058
   99    HZ1  LYS  14           HZ1      LYS  14 -10.462  -7.207   5.062
  100    HZ2  LYS  14           HZ2      LYS  14  -9.527  -5.846   5.460
  101    HZ3  LYS  14           HZ3      LYS  14  -8.834  -7.396   5.496
  102    H    ALA  15           HN       ALA  15  -7.313  -4.877  -0.709
  103    HA   ALA  15           HA       ALA  15 -10.021  -4.615  -1.414
  104    HB1  ALA  15           HB1      ALA  15  -7.619  -2.840  -1.870
  105    HB2  ALA  15           HB2      ALA  15  -8.881  -2.663  -0.652
  106    HB3  ALA  15           HB3      ALA  15  -9.249  -2.367  -2.351
  107    H    ASP  16           HN       ASP  16  -7.116  -5.061  -3.356
  108    HA   ASP  16           HA       ASP  16  -8.235  -4.592  -5.895
  109    HB2  ASP  16           HB2      ASP  16  -5.950  -6.362  -4.998
  110    HB3  ASP  16           HB1      ASP  16  -6.362  -6.106  -6.694
  111    H    GLU  17           HN       GLU  17  -7.979  -7.593  -3.956
  112    HA   GLU  17           HA       GLU  17  -9.132  -9.288  -5.909
  113    HB2  GLU  17           HB2      GLU  17  -7.825 -10.071  -3.939
  114    HB3  GLU  17           HB1      GLU  17  -9.160  -9.578  -2.896
  115    HG2  GLU  17           HG2      GLU  17  -9.391 -11.917  -3.326
  116    HG3  GLU  17           HG1      GLU  17 -10.663 -11.106  -4.231
  117    H    LEU  18           HN       LEU  18 -10.489  -7.399  -3.231
  118    HA   LEU  18           HA       LEU  18 -13.129  -8.364  -3.408
  119    HB2  LEU  18           HB2      LEU  18 -12.023  -5.742  -2.417
  120    HB3  LEU  18           HB1      LEU  18 -13.719  -6.200  -2.262
  121    HG   LEU  18           HG       LEU  18 -11.411  -7.870  -1.218
  122   HD11  LEU  18          HD11      LEU  18 -11.507  -5.751  -0.014
  123   HD12  LEU  18          HD12      LEU  18 -12.115  -7.047   1.015
  124   HD13  LEU  18          HD13      LEU  18 -13.242  -5.946   0.227
  125   HD21  LEU  18          HD21      LEU  18 -13.511  -8.700   0.215
  126   HD22  LEU  18          HD22      LEU  18 -13.178  -9.372  -1.373
  127   HD23  LEU  18          HD23      LEU  18 -14.409  -8.125  -1.191
  128    H    GLY  19           HN       GLY  19 -11.513  -5.647  -4.975
  129    HA2  GLY  19           HA2      GLY  19 -12.080  -5.053  -7.250
  130    HA3  GLY  19           HA1      GLY  19 -13.747  -5.515  -6.920
  131    H1   SER   1           HN       SER   1 -11.242  -3.194  -5.853
  132    HA   SER   1           HA       SER   1 -13.240  -1.057  -5.893
  133    HB2  SER   1           HB2      SER   1 -12.535  -0.297  -3.629
  134    HB3  SER   1           HB1      SER   1 -13.415  -1.822  -3.615
  135    HG   SER   1           HG       SER   1 -11.386  -2.885  -3.531
  136    HA   PRO   2           HA       PRO   2  -9.096  -0.042  -7.772
  137    HB2  PRO   2           HB2      PRO   2 -10.972   1.838  -9.173
  138    HB3  PRO   2           HB1      PRO   2  -9.652   0.853  -9.842
  139    HG2  PRO   2           HG2      PRO   2 -12.183   0.137 -10.185
  140    HG3  PRO   2           HG1      PRO   2 -10.932  -1.081  -9.869
  141    HD2  PRO   2           HD2      PRO   2 -13.019   0.012  -8.010
  142    HD3  PRO   2           HD1      PRO   2 -12.359  -1.636  -8.122
  143    H    GLU   3           HN       GLU   3 -11.709   2.132  -6.697
  144    HA   GLU   3           HA       GLU   3 -10.140   4.457  -6.324
  145    HB2  GLU   3           HB2      GLU   3 -12.698   3.505  -5.011
  146    HB3  GLU   3           HB1      GLU   3 -12.008   5.109  -4.746
  147    HG2  GLU   3           HG2      GLU   3 -12.223   5.685  -7.054
  148    HG3  GLU   3           HG1      GLU   3 -12.595   4.013  -7.501
  149    H    GLU   4           HN       GLU   4 -11.018   1.832  -4.089
  150    HA   GLU   4           HA       GLU   4  -9.621   2.920  -1.849
  151    HB2  GLU   4           HB2      GLU   4 -10.534   0.124  -2.525
  152    HB3  GLU   4           HB1      GLU   4  -9.746   0.537  -1.003
  153    HG2  GLU   4           HG2      GLU   4 -11.485   2.125  -0.460
  154    HG3  GLU   4           HG1      GLU   4 -12.242   1.905  -2.039
  155    H    ARG   5           HN       ARG   5  -8.744   0.740  -4.489
  156    HA   ARG   5           HA       ARG   5  -6.254  -0.087  -3.514
  157    HB2  ARG   5           HB2      ARG   5  -7.147  -1.207  -5.405
  158    HB3  ARG   5           HB1      ARG   5  -7.341   0.296  -6.300
  159    HG2  ARG   5           HG2      ARG   5  -4.537  -0.215  -5.436
  160    HG3  ARG   5           HG1      ARG   5  -5.172  -1.416  -6.565
  161    HD2  ARG   5           HD2      ARG   5  -5.842   0.359  -8.130
  162    HD3  ARG   5           HD1      ARG   5  -5.266   1.588  -7.009
  163    HE   ARG   5           HE       ARG   5  -3.141  -0.197  -7.521
  164   HH11  ARG   5          HH11      ARG   5  -1.535   0.396  -9.007
  165   HH12  ARG   5          HH12      ARG   5  -1.867   1.621 -10.187
  166   HH21  ARG   5          HH21      ARG   5  -5.116   2.158  -9.100
  167   HH22  ARG   5          HH22      ARG   5  -3.896   2.619 -10.240
  168    H    ALA   6           HN       ALA   6  -7.107   2.703  -5.570
  169    HA   ALA   6           HA       ALA   6  -4.501   3.666  -5.939
  170    HB1  ALA   6           HB1      ALA   6  -7.131   5.155  -5.814
  171    HB2  ALA   6           HB2      ALA   6  -6.358   4.504  -7.258
  172    HB3  ALA   6           HB3      ALA   6  -5.621   5.853  -6.394
  173    H    GLN   7           HN       GLN   7  -6.916   4.443  -3.455
  174    HA   GLN   7           HA       GLN   7  -5.216   6.295  -2.064
  175    HB2  GLN   7           HB2      GLN   7  -7.689   6.319  -1.881
  176    HB3  GLN   7           HB1      GLN   7  -7.623   4.770  -1.039
  177    HG2  GLN   7           HG2      GLN   7  -6.337   5.739   0.771
  178    HG3  GLN   7           HG1      GLN   7  -6.196   7.271  -0.094
  179   HE21  GLN   7          HE21      GLN   7  -7.356   7.270   2.476
  180   HE22  GLN   7          HE22      GLN   7  -9.024   7.579   2.337
  181    H    LEU   8           HN       LEU   8  -6.001   2.859  -1.631
  182    HA   LEU   8           HA       LEU   8  -4.554   2.522   0.779
  183    HB2  LEU   8           HB2      LEU   8  -5.485   0.585  -1.322
  184    HB3  LEU   8           HB1      LEU   8  -4.651   0.077   0.144
  185    HG   LEU   8           HG       LEU   8  -7.150   1.798   0.180
  186   HD11  LEU   8          HD11      LEU   8  -7.605  -0.408  -0.855
  187   HD12  LEU   8          HD12      LEU   8  -8.372  -0.255   0.724
  188   HD13  LEU   8          HD13      LEU   8  -6.892  -1.194   0.552
  189   HD21  LEU   8          HD21      LEU   8  -5.446   0.448   2.262
  190   HD22  LEU   8          HD22      LEU   8  -7.176   0.639   2.552
  191   HD23  LEU   8          HD23      LEU   8  -6.173   2.053   2.275
  192    H    CYS   9           HN       CYS   9  -3.704   2.060  -2.604
  193    HA   CYS   9           HA       CYS   9  -1.161   0.923  -2.185
  194    HB2  CYS   9           HB2      CYS   9  -2.510   1.068  -4.370
  195    HB3  CYS   9           HB1      CYS   9  -1.848   2.692  -4.528
  196    H    THR  10           HN       THR  10  -2.267   4.267  -2.399
  197    HA   THR  10           HA       THR  10   0.252   5.541  -2.498
  198    HB   THR  10           HB       THR  10  -2.316   6.490  -1.236
  199    HG1  THR  10           HG1      THR  10  -2.093   5.876  -3.607
  200   HG21  THR  10          HG21      THR  10  -1.328   8.753  -1.745
  201   HG22  THR  10          HG22      THR  10   0.195   7.930  -2.086
  202   HG23  THR  10          HG23      THR  10  -0.504   7.858  -0.468
  203    H    ALA  11           HN       ALA  11  -1.763   4.542   0.261
  204    HA   ALA  11           HA       ALA  11  -0.118   5.605   2.289
  205    HB1  ALA  11           HB1      ALA  11  -2.414   4.761   2.671
  206    HB2  ALA  11           HB2      ALA  11  -1.254   4.014   3.771
  207    HB3  ALA  11           HB3      ALA  11  -1.847   3.118   2.372
  208    H    ALA  12           HN       ALA  12  -0.135   2.405   0.719
  209    HA   ALA  12           HA       ALA  12   2.034   1.349   2.241
  210    HB1  ALA  12           HB1      ALA  12   1.254   0.495  -0.547
  211    HB2  ALA  12           HB2      ALA  12   0.319   0.039   0.877
  212    HB3  ALA  12           HB3      ALA  12   1.999  -0.478   0.720
  213    H    GLU  13           HN       GLU  13   1.795   2.974  -0.909
  214    HA   GLU  13           HA       GLU  13   4.529   2.707  -1.610
  215    HB2  GLU  13           HB2      GLU  13   2.775   3.266  -3.247
  216    HB3  GLU  13           HB1      GLU  13   2.511   4.825  -2.446
  217    HG2  GLU  13           HG2      GLU  13   3.983   5.179  -4.356
  218    HG3  GLU  13           HG1      GLU  13   4.949   5.369  -2.900
  219    H    LYS  14           HN       LYS  14   2.715   5.293  -0.007
  220    HA   LYS  14           HA       LYS  14   4.879   7.084   0.294
  221    HB2  LYS  14           HB2      LYS  14   2.566   7.813   0.513
  222    HB3  LYS  14           HB1      LYS  14   2.364   6.782   1.927
  223    HG2  LYS  14           HG2      LYS  14   4.007   8.076   3.176
  224    HG3  LYS  14           HG1      LYS  14   4.436   8.997   1.735
  225    HD2  LYS  14           HD2      LYS  14   2.979  10.396   3.024
  226    HD3  LYS  14           HD1      LYS  14   2.024   9.794   1.670
  227    HE2  LYS  14           HE2      LYS  14   0.967   8.129   3.064
  228    HE3  LYS  14           HE1      LYS  14   2.052   8.490   4.407
  229    HZ1  LYS  14           HZ1      LYS  14   1.110  10.685   4.545
  230    HZ2  LYS  14           HZ2      LYS  14  -0.127   9.525   4.648
  231    HZ3  LYS  14           HZ3      LYS  14   0.116  10.386   3.204
  232    H    ALA  15           HN       ALA  15   3.569   4.533   2.362
  233    HA   ALA  15           HA       ALA  15   5.199   4.997   4.607
  234    HB1  ALA  15           HB1      ALA  15   3.815   2.525   3.563
  235    HB2  ALA  15           HB2      ALA  15   3.322   3.566   4.899
  236    HB3  ALA  15           HB3      ALA  15   4.732   2.525   5.067
  237    H    ASP  16           HN       ASP  16   5.708   3.137   1.666
  238    HA   ASP  16           HA       ASP  16   8.061   1.791   2.427
  239    HB2  ASP  16           HB2      ASP  16   7.046   2.709  -0.271
  240    HB3  ASP  16           HB1      ASP  16   8.508   1.741  -0.074
  241    H    GLU  17           HN       GLU  17   7.558   4.981   0.877
  242    HA   GLU  17           HA       GLU  17  10.309   5.577   0.563
  243    HB2  GLU  17           HB2      GLU  17   8.463   6.748  -0.625
  244    HB3  GLU  17           HB1      GLU  17   7.980   7.482   0.907
  245    HG2  GLU  17           HG2      GLU  17   9.354   9.050  -0.263
  246    HG3  GLU  17           HG1      GLU  17  10.306   8.448   1.085
  247    H    LEU  18           HN       LEU  18   7.968   6.221   3.147
  248    HA   LEU  18           HA       LEU  18   9.620   7.854   4.742
  249    HB2  LEU  18           HB2      LEU  18   7.311   6.051   5.454
  250    HB3  LEU  18           HB1      LEU  18   8.087   7.139   6.605
  251    HG   LEU  18           HG       LEU  18   6.913   8.040   3.958
  252   HD11  LEU  18          HD11      LEU  18   5.132   7.191   5.385
  253   HD12  LEU  18          HD12      LEU  18   5.063   8.952   5.345
  254   HD13  LEU  18          HD13      LEU  18   5.745   8.129   6.746
  255   HD21  LEU  18          HD21      LEU  18   6.949  10.265   5.429
  256   HD22  LEU  18          HD22      LEU  18   8.383   9.743   4.559
  257   HD23  LEU  18          HD23      LEU  18   8.238   9.418   6.285
  258    H    GLY  19           HN       GLY  19   9.140   4.359   4.659
  259    HA2  GLY  19           HA2      GLY  19  10.992   2.872   5.074
  260    HA3  GLY  19           HA1      GLY  19  11.637   4.039   6.223
  261   HB11  B74 100          HB11      0AA 100   1.882  -2.341  -0.734
  262   HB12  B74 100          HB12      0AA 100   3.309  -3.236  -1.268
  263    HG   B74 100           HG       0AA 100   0.196  -1.613  -2.261
  264    HE1  B74 100           HE1      0AA 100   3.603  -3.869  -3.602
  265    HE2  B74 100           HE2      0AA 100   1.256  -1.613  -6.426
  266    HZ   B74 100           HZ       0AA 100   3.214  -3.065  -5.925
  267   HB21  B74 100          HB21      0AA 100  -1.386  -0.860  -3.919
  268   HB22  B74 100          HB22      0AA 100  -1.066  -1.019  -5.650
  Start of MODEL   17
    1    H1   SER   1           HN       SER   1   8.768   2.820   5.511
    2    HA   SER   1           HA       SER   1   8.955   1.019   7.828
    3    HB2  SER   1           HB2      SER   1   6.590   1.339   8.358
    4    HB3  SER   1           HB1      SER   1   7.462   2.861   8.509
    5    HG   SER   1           HG       SER   1   5.474   3.021   7.317
    6    HA   PRO   2           HA       PRO   2   8.151  -0.994   3.650
    7    HB2  PRO   2           HB2      PRO   2   9.850  -3.002   5.116
    8    HB3  PRO   2           HB1      PRO   2   9.917  -2.499   3.411
    9    HG2  PRO   2           HG2      PRO   2  11.726  -1.625   5.123
   10    HG3  PRO   2           HG1      PRO   2  11.045  -0.525   3.907
   11    HD2  PRO   2           HD2      PRO   2  10.428  -0.702   6.847
   12    HD3  PRO   2           HD1      PRO   2  10.558   0.737   5.808
   13    H    GLU   3           HN       GLU   3   8.157  -2.334   6.945
   14    HA   GLU   3           HA       GLU   3   6.398  -4.511   6.449
   15    HB2  GLU   3           HB2      GLU   3   7.092  -2.970   8.954
   16    HB3  GLU   3           HB1      GLU   3   6.064  -4.408   8.948
   17    HG2  GLU   3           HG2      GLU   3   7.825  -5.771   8.068
   18    HG3  GLU   3           HG1      GLU   3   8.829  -4.358   7.728
   19    H    GLU   4           HN       GLU   4   5.873  -1.162   7.469
   20    HA   GLU   4           HA       GLU   4   3.089  -1.448   7.949
   21    HB2  GLU   4           HB2      GLU   4   4.407   0.460   8.786
   22    HB3  GLU   4           HB1      GLU   4   4.641   1.011   7.127
   23    HG2  GLU   4           HG2      GLU   4   2.254   1.309   6.839
   24    HG3  GLU   4           HG1      GLU   4   1.942   0.636   8.435
   25    H    ARG   5           HN       ARG   5   5.004  -0.581   5.112
   26    HA   ARG   5           HA       ARG   5   2.892   0.048   3.364
   27    HB2  ARG   5           HB2      ARG   5   5.055   0.680   2.697
   28    HB3  ARG   5           HB1      ARG   5   5.727  -0.924   2.989
   29    HG2  ARG   5           HG2      ARG   5   3.535  -0.807   0.953
   30    HG3  ARG   5           HG1      ARG   5   5.018   0.008   0.504
   31    HD2  ARG   5           HD2      ARG   5   6.324  -2.028   0.936
   32    HD3  ARG   5           HD1      ARG   5   4.869  -2.868   1.458
   33    HE   ARG   5           HE       ARG   5   4.263  -3.122  -0.778
   34   HH11  ARG   5          HH11      ARG   5   4.641  -2.912  -3.018
   35   HH12  ARG   5          HH12      ARG   5   5.848  -1.806  -3.584
   36   HH21  ARG   5          HH21      ARG   5   6.728  -0.732  -0.403
   37   HH22  ARG   5          HH22      ARG   5   7.031  -0.569  -2.100
   38    H    ALA   6           HN       ALA   6   4.538  -3.040   4.038
   39    HA   ALA   6           HA       ALA   6   3.196  -4.559   2.106
   40    HB1  ALA   6           HB1      ALA   6   5.182  -5.321   3.385
   41    HB2  ALA   6           HB2      ALA   6   3.869  -6.499   3.407
   42    HB3  ALA   6           HB3      ALA   6   4.167  -5.483   4.818
   43    H    GLN   7           HN       GLN   7   2.347  -3.885   5.498
   44    HA   GLN   7           HA       GLN   7  -0.005  -5.495   5.518
   45    HB2  GLN   7           HB2      GLN   7   1.162  -4.643   7.551
   46    HB3  GLN   7           HB1      GLN   7   0.608  -3.018   7.152
   47    HG2  GLN   7           HG2      GLN   7  -1.740  -3.793   7.268
   48    HG3  GLN   7           HG1      GLN   7  -1.172  -5.409   7.696
   49   HE21  GLN   7          HE21      GLN   7  -1.218  -5.774   9.906
   50   HE22  GLN   7          HE22      GLN   7  -1.004  -4.580  11.101
   51    H    LEU   8           HN       LEU   8   0.544  -2.041   4.832
   52    HA   LEU   8           HA       LEU   8  -2.177  -1.375   4.472
   53    HB2  LEU   8           HB2      LEU   8   0.348  -0.111   3.462
   54    HB3  LEU   8           HB1      LEU   8  -1.248   0.576   3.169
   55    HG   LEU   8           HG       LEU   8  -0.168  -0.096   5.922
   56   HD11  LEU   8          HD11      LEU   8  -0.292   2.547   4.460
   57   HD12  LEU   8          HD12      LEU   8   1.171   1.634   4.815
   58   HD13  LEU   8          HD13      LEU   8   0.225   2.324   6.131
   59   HD21  LEU   8          HD21      LEU   8  -2.470   0.062   6.245
   60   HD22  LEU   8          HD22      LEU   8  -2.709   1.134   4.867
   61   HD23  LEU   8          HD23      LEU   8  -2.053   1.765   6.375
   62    H    CYS   9           HN       CYS   9   0.302  -2.521   2.242
   63    HA   CYS   9           HA       CYS   9  -1.173  -2.198  -0.118
   64    HB2  CYS   9           HB2      CYS   9   1.057  -2.630  -0.545
   65    HB3  CYS   9           HB1      CYS   9   1.172  -3.855   0.707
   66    H    THR  10           HN       THR  10  -1.112  -4.767   2.280
   67    HA   THR  10           HA       THR  10  -2.589  -6.722   0.869
   68    HB   THR  10           HB       THR  10  -2.587  -6.094   3.817
   69    HG1  THR  10           HG1      THR  10  -0.645  -6.877   2.304
   70   HG21  THR  10          HG21      THR  10  -4.424  -7.543   3.387
   71   HG22  THR  10          HG22      THR  10  -3.115  -8.563   3.986
   72   HG23  THR  10          HG23      THR  10  -3.472  -8.511   2.260
   73    H    ALA  11           HN       ALA  11  -3.653  -4.046   2.960
   74    HA   ALA  11           HA       ALA  11  -6.413  -4.632   2.733
   75    HB1  ALA  11           HB1      ALA  11  -5.633  -3.052   4.396
   76    HB2  ALA  11           HB2      ALA  11  -6.741  -2.225   3.302
   77    HB3  ALA  11           HB3      ALA  11  -5.001  -1.987   3.140
   78    H    ALA  12           HN       ALA  12  -4.238  -2.601   0.775
   79    HA   ALA  12           HA       ALA  12  -6.222  -1.672  -1.030
   80    HB1  ALA  12           HB1      ALA  12  -4.464  -0.763  -2.267
   81    HB2  ALA  12           HB2      ALA  12  -3.360  -2.063  -1.839
   82    HB3  ALA  12           HB3      ALA  12  -3.780  -0.842  -0.645
   83    H    GLU  13           HN       GLU  13  -4.036  -4.444  -1.092
   84    HA   GLU  13           HA       GLU  13  -4.669  -5.354  -3.689
   85    HB2  GLU  13           HB2      GLU  13  -2.681  -6.096  -2.448
   86    HB3  GLU  13           HB1      GLU  13  -3.710  -6.915  -1.262
   87    HG2  GLU  13           HG2      GLU  13  -4.597  -8.377  -3.033
   88    HG3  GLU  13           HG1      GLU  13  -3.648  -7.519  -4.245
   89    H    LYS  14           HN       LYS  14  -5.951  -6.133  -0.501
   90    HA   LYS  14           HA       LYS  14  -7.815  -8.083  -1.356
   91    HB2  LYS  14           HB2      LYS  14  -7.127  -7.930   0.962
   92    HB3  LYS  14           HB1      LYS  14  -7.766  -6.295   1.095
   93    HG2  LYS  14           HG2      LYS  14 -10.045  -7.131   0.673
   94    HG3  LYS  14           HG1      LYS  14  -9.422  -8.760   0.417
   95    HD2  LYS  14           HD2      LYS  14  -8.907  -7.335   3.027
   96    HD3  LYS  14           HD1      LYS  14 -10.456  -8.127   2.743
   97    HE2  LYS  14           HE2      LYS  14  -7.740  -9.474   2.558
   98    HE3  LYS  14           HE1      LYS  14  -8.889  -9.650   3.882
   99    HZ1  LYS  14           HZ1      LYS  14 -10.510 -10.321   2.017
  100    HZ2  LYS  14           HZ2      LYS  14  -9.365 -11.455   2.556
  101    HZ3  LYS  14           HZ3      LYS  14  -9.108 -10.608   1.106
  102    H    ALA  15           HN       ALA  15  -8.012  -4.569  -0.945
  103    HA   ALA  15           HA       ALA  15 -10.770  -4.285  -1.390
  104    HB1  ALA  15           HB1      ALA  15  -9.164  -2.514  -0.565
  105    HB2  ALA  15           HB2      ALA  15 -10.306  -1.971  -1.795
  106    HB3  ALA  15           HB3      ALA  15  -8.636  -2.327  -2.237
  107    H    ASP  16           HN       ASP  16  -8.049  -4.451  -3.624
  108    HA   ASP  16           HA       ASP  16  -9.473  -3.845  -5.990
  109    HB2  ASP  16           HB2      ASP  16  -7.019  -3.863  -5.864
  110    HB3  ASP  16           HB1      ASP  16  -7.039  -5.612  -5.654
  111    H    GLU  17           HN       GLU  17  -8.824  -6.880  -4.304
  112    HA   GLU  17           HA       GLU  17  -9.938  -8.627  -6.216
  113    HB2  GLU  17           HB2      GLU  17  -9.630  -8.859  -3.216
  114    HB3  GLU  17           HB1      GLU  17 -10.178 -10.183  -4.240
  115    HG2  GLU  17           HG2      GLU  17  -7.572  -8.703  -4.670
  116    HG3  GLU  17           HG1      GLU  17  -7.702 -10.206  -3.756
  117    H    LEU  18           HN       LEU  18 -11.366  -6.857  -3.502
  118    HA   LEU  18           HA       LEU  18 -13.922  -8.044  -3.602
  119    HB2  LEU  18           HB2      LEU  18 -13.009  -5.338  -2.656
  120    HB3  LEU  18           HB1      LEU  18 -14.663  -5.915  -2.472
  121    HG   LEU  18           HG       LEU  18 -12.220  -7.387  -1.439
  122   HD11  LEU  18          HD11      LEU  18 -12.312  -5.444  -0.129
  123   HD12  LEU  18          HD12      LEU  18 -13.245  -6.600   0.811
  124   HD13  LEU  18          HD13      LEU  18 -14.070  -5.384  -0.161
  125   HD21  LEU  18          HD21      LEU  18 -14.261  -8.340   0.034
  126   HD22  LEU  18          HD22      LEU  18 -13.833  -9.044  -1.518
  127   HD23  LEU  18          HD23      LEU  18 -15.178  -7.911  -1.410
  128    H    GLY  19           HN       GLY  19 -12.558  -5.230  -5.271
  129    HA2  GLY  19           HA2      GLY  19 -13.397  -5.034  -7.640
  130    HA3  GLY  19           HA1      GLY  19 -15.013  -5.080  -6.945
  131    H1   SER   1           HN       SER   1 -11.979  -3.280  -6.237
  132    HA   SER   1           HA       SER   1 -13.328  -0.757  -6.763
  133    HB2  SER   1           HB2      SER   1 -12.847   0.152  -4.542
  134    HB3  SER   1           HB1      SER   1 -13.908  -1.247  -4.412
  135    HG   SER   1           HG       SER   1 -12.080  -1.235  -2.942
  136    HA   PRO   2           HA       PRO   2  -8.806  -1.229  -7.995
  137    HB2  PRO   2           HB2      PRO   2  -9.983   0.462 -10.189
  138    HB3  PRO   2           HB1      PRO   2  -8.815  -0.874 -10.298
  139    HG2  PRO   2           HG2      PRO   2 -11.336  -1.256 -10.983
  140    HG3  PRO   2           HG1      PRO   2 -10.461  -2.501 -10.068
  141    HD2  PRO   2           HD2      PRO   2 -12.521  -0.538  -9.091
  142    HD3  PRO   2           HD1      PRO   2 -12.270  -2.236  -8.622
  143    H    GLU   3           HN       GLU   3 -10.974   1.585  -8.110
  144    HA   GLU   3           HA       GLU   3  -8.978   3.594  -7.920
  145    HB2  GLU   3           HB2      GLU   3 -11.909   3.544  -7.189
  146    HB3  GLU   3           HB1      GLU   3 -10.912   5.003  -7.120
  147    HG2  GLU   3           HG2      GLU   3 -10.445   4.900  -9.465
  148    HG3  GLU   3           HG1      GLU   3 -11.133   3.279  -9.593
  149    H    GLU   4           HN       GLU   4 -10.866   1.839  -5.490
  150    HA   GLU   4           HA       GLU   4  -9.942   3.336  -3.265
  151    HB2  GLU   4           HB2      GLU   4 -11.917   1.862  -3.171
  152    HB3  GLU   4           HB1      GLU   4 -10.866   0.461  -3.375
  153    HG2  GLU   4           HG2      GLU   4  -9.718   0.957  -1.307
  154    HG3  GLU   4           HG1      GLU   4 -10.627   2.451  -1.114
  155    H    ARG   5           HN       ARG   5  -8.770   0.434  -4.896
  156    HA   ARG   5           HA       ARG   5  -6.670  -0.199  -3.139
  157    HB2  ARG   5           HB2      ARG   5  -7.297  -1.847  -4.689
  158    HB3  ARG   5           HB1      ARG   5  -7.221  -0.738  -6.057
  159    HG2  ARG   5           HG2      ARG   5  -4.650  -1.104  -4.567
  160    HG3  ARG   5           HG1      ARG   5  -5.231  -2.523  -5.422
  161    HD2  ARG   5           HD2      ARG   5  -5.391  -1.244  -7.520
  162    HD3  ARG   5           HD1      ARG   5  -4.854   0.210  -6.688
  163    HE   ARG   5           HE       ARG   5  -2.672  -0.612  -6.743
  164   HH11  ARG   5          HH11      ARG   5  -1.097  -2.137  -7.380
  165   HH12  ARG   5          HH12      ARG   5  -1.592  -3.714  -7.900
  166   HH21  ARG   5          HH21      ARG   5  -4.975  -3.088  -7.442
  167   HH22  ARG   5          HH22      ARG   5  -3.792  -4.253  -7.934
  168    H    ALA   6           HN       ALA   6  -6.761   1.861  -6.045
  169    HA   ALA   6           HA       ALA   6  -4.024   2.451  -6.123
  170    HB1  ALA   6           HB1      ALA   6  -5.658   2.974  -7.927
  171    HB2  ALA   6           HB2      ALA   6  -4.638   4.349  -7.503
  172    HB3  ALA   6           HB3      ALA   6  -6.302   4.273  -6.924
  173    H    GLN   7           HN       GLN   7  -6.691   4.101  -4.455
  174    HA   GLN   7           HA       GLN   7  -5.099   6.206  -3.387
  175    HB2  GLN   7           HB2      GLN   7  -7.584   6.251  -3.511
  176    HB3  GLN   7           HB1      GLN   7  -7.646   5.001  -2.269
  177    HG2  GLN   7           HG2      GLN   7  -6.452   6.491  -0.702
  178    HG3  GLN   7           HG1      GLN   7  -6.389   7.742  -1.945
  179   HE21  GLN   7          HE21      GLN   7  -8.011   9.265  -1.697
  180   HE22  GLN   7          HE22      GLN   7  -9.554   8.956  -1.048
  181    H    LEU   8           HN       LEU   8  -6.044   3.010  -2.112
  182    HA   LEU   8           HA       LEU   8  -4.846   3.374   0.430
  183    HB2  LEU   8           HB2      LEU   8  -5.582   0.914  -1.120
  184    HB3  LEU   8           HB1      LEU   8  -4.913   0.851   0.509
  185    HG   LEU   8           HG       LEU   8  -7.375   2.450  -0.245
  186   HD11  LEU   8          HD11      LEU   8  -7.144  -0.283   1.025
  187   HD12  LEU   8          HD12      LEU   8  -7.706   0.046  -0.611
  188   HD13  LEU   8          HD13      LEU   8  -8.644   0.608   0.771
  189   HD21  LEU   8          HD21      LEU   8  -6.713   3.367   1.788
  190   HD22  LEU   8          HD22      LEU   8  -5.877   1.907   2.312
  191   HD23  LEU   8          HD23      LEU   8  -7.635   1.998   2.396
  192    H    CYS   9           HN       CYS   9  -3.661   2.085  -2.626
  193    HA   CYS   9           HA       CYS   9  -1.210   1.100  -1.690
  194    HB2  CYS   9           HB2      CYS   9  -1.659   0.397  -3.845
  195    HB3  CYS   9           HB1      CYS   9  -2.271   1.966  -4.344
  196    H    THR  10           HN       THR  10  -2.213   4.321  -2.680
  197    HA   THR  10           HA       THR  10   0.305   5.577  -2.776
  198    HB   THR  10           HB       THR  10  -2.332   6.703  -1.847
  199    HG1  THR  10           HG1      THR  10  -1.691   5.713  -4.145
  200   HG21  THR  10          HG21      THR  10  -0.642   8.264  -1.270
  201   HG22  THR  10          HG22      THR  10  -1.306   8.827  -2.805
  202   HG23  THR  10          HG23      THR  10   0.235   7.969  -2.772
  203    H    ALA  11           HN       ALA  11  -1.905   5.071  -0.028
  204    HA   ALA  11           HA       ALA  11  -0.290   6.413   1.862
  205    HB1  ALA  11           HB1      ALA  11  -2.605   5.822   2.349
  206    HB2  ALA  11           HB2      ALA  11  -1.536   5.080   3.539
  207    HB3  ALA  11           HB3      ALA  11  -2.213   4.106   2.234
  208    H    ALA  12           HN       ALA  12  -0.424   3.019   0.802
  209    HA   ALA  12           HA       ALA  12   1.574   2.065   2.578
  210    HB1  ALA  12           HB1      ALA  12   1.433   0.054   1.414
  211    HB2  ALA  12           HB2      ALA  12   1.123   0.846  -0.126
  212    HB3  ALA  12           HB3      ALA  12  -0.145   0.765   1.093
  213    H    GLU  13           HN       GLU  13   1.691   3.314  -0.726
  214    HA   GLU  13           HA       GLU  13   4.433   2.818  -1.200
  215    HB2  GLU  13           HB2      GLU  13   2.828   3.314  -2.994
  216    HB3  GLU  13           HB1      GLU  13   2.612   4.956  -2.367
  217    HG2  GLU  13           HG2      GLU  13   4.992   5.430  -2.770
  218    HG3  GLU  13           HG1      GLU  13   5.253   3.774  -3.310
  219    H    LYS  14           HN       LYS  14   2.687   5.618   0.041
  220    HA   LYS  14           HA       LYS  14   4.937   7.304   0.351
  221    HB2  LYS  14           HB2      LYS  14   2.694   8.204   0.305
  222    HB3  LYS  14           HB1      LYS  14   2.237   7.284   1.734
  223    HG2  LYS  14           HG2      LYS  14   3.895   8.518   3.080
  224    HG3  LYS  14           HG1      LYS  14   4.447   9.378   1.644
  225    HD2  LYS  14           HD2      LYS  14   1.559   9.534   2.509
  226    HD3  LYS  14           HD1      LYS  14   2.775  10.561   3.265
  227    HE2  LYS  14           HE2      LYS  14   2.196  10.437   0.286
  228    HE3  LYS  14           HE1      LYS  14   1.697  11.724   1.380
  229    HZ1  LYS  14           HZ1      LYS  14   4.197  11.812   1.950
  230    HZ2  LYS  14           HZ2      LYS  14   3.648  12.542   0.517
  231    HZ3  LYS  14           HZ3      LYS  14   4.403  11.021   0.465
  232    H    ALA  15           HN       ALA  15   3.370   4.962   2.499
  233    HA   ALA  15           HA       ALA  15   4.836   5.525   4.829
  234    HB1  ALA  15           HB1      ALA  15   2.781   4.048   4.590
  235    HB2  ALA  15           HB2      ALA  15   4.057   3.420   5.634
  236    HB3  ALA  15           HB3      ALA  15   3.867   2.792   3.997
  237    H    ASP  16           HN       ASP  16   5.526   3.442   2.076
  238    HA   ASP  16           HA       ASP  16   7.851   2.219   3.127
  239    HB2  ASP  16           HB2      ASP  16   6.675   1.394   1.135
  240    HB3  ASP  16           HB1      ASP  16   7.177   2.825   0.241
  241    H    GLU  17           HN       GLU  17   7.321   5.180   1.274
  242    HA   GLU  17           HA       GLU  17  10.027   5.874   0.880
  243    HB2  GLU  17           HB2      GLU  17   7.526   7.568   1.063
  244    HB3  GLU  17           HB1      GLU  17   9.101   8.207   0.599
  245    HG2  GLU  17           HG2      GLU  17   7.749   5.892  -0.810
  246    HG3  GLU  17           HG1      GLU  17   7.634   7.568  -1.348
  247    H    LEU  18           HN       LEU  18   7.763   6.547   3.519
  248    HA   LEU  18           HA       LEU  18   9.397   8.345   4.947
  249    HB2  LEU  18           HB2      LEU  18   7.223   6.473   5.853
  250    HB3  LEU  18           HB1      LEU  18   8.005   7.633   6.924
  251    HG   LEU  18           HG       LEU  18   6.635   8.372   4.321
  252   HD11  LEU  18          HD11      LEU  18   4.875   7.664   5.691
  253   HD12  LEU  18          HD12      LEU  18   4.952   9.389   6.028
  254   HD13  LEU  18          HD13      LEU  18   5.653   8.236   7.163
  255   HD21  LEU  18          HD21      LEU  18   6.667  10.658   5.734
  256   HD22  LEU  18          HD22      LEU  18   8.023  10.184   4.721
  257   HD23  LEU  18          HD23      LEU  18   8.087   9.905   6.460
  258    H    GLY  19           HN       GLY  19   9.133   4.814   5.040
  259    HA2  GLY  19           HA2      GLY  19  11.385   3.728   5.374
  260    HA3  GLY  19           HA1      GLY  19  11.517   4.726   6.816
  261   HB11  B74 100          HB11      0AA 100  -1.124  -4.534  -3.235
  262   HB12  B74 100          HB12      0AA 100  -1.402  -3.241  -2.084
  263    HG   B74 100           HG       0AA 100  -0.100  -1.211  -2.084
  264    HE1  B74 100           HE1      0AA 100   0.594  -4.356  -4.938
  265    HE2  B74 100           HE2      0AA 100   1.796  -0.327  -5.834
  266    HZ   B74 100           HZ       0AA 100   1.552  -2.697  -6.516
  267   HB21  B74 100          HB21      0AA 100   2.200   1.100  -3.612
  268   HB22  B74 100          HB22      0AA 100   0.918   0.925  -2.424
  Start of MODEL   18
    1    H1   SER   1           HN       SER   1   8.450   2.942   5.715
    2    HA   SER   1           HA       SER   1   8.413   1.428   8.257
    3    HB2  SER   1           HB2      SER   1   6.025   1.806   8.468
    4    HB3  SER   1           HB1      SER   1   6.845   3.364   8.395
    5    HG   SER   1           HG       SER   1   5.042   3.276   6.985
    6    HA   PRO   2           HA       PRO   2   7.912  -1.056   4.268
    7    HB2  PRO   2           HB2      PRO   2   9.431  -3.214   5.174
    8    HB3  PRO   2           HB1      PRO   2  10.070  -1.854   4.228
    9    HG2  PRO   2           HG2      PRO   2  10.141  -2.297   7.184
   10    HG3  PRO   2           HG1      PRO   2  11.406  -1.674   6.104
   11    HD2  PRO   2           HD2      PRO   2   9.971  -0.011   7.640
   12    HD3  PRO   2           HD1      PRO   2  10.452   0.462   5.997
   13    H    GLU   3           HN       GLU   3   7.704  -1.950   7.666
   14    HA   GLU   3           HA       GLU   3   6.082  -4.269   7.316
   15    HB2  GLU   3           HB2      GLU   3   6.533  -2.407   9.656
   16    HB3  GLU   3           HB1      GLU   3   5.571  -3.888   9.756
   17    HG2  GLU   3           HG2      GLU   3   7.458  -5.245   9.132
   18    HG3  GLU   3           HG1      GLU   3   8.421  -3.818   8.745
   19    H    GLU   4           HN       GLU   4   5.369  -0.846   7.885
   20    HA   GLU   4           HA       GLU   4   2.556  -1.208   8.133
   21    HB2  GLU   4           HB2      GLU   4   3.774   0.815   8.925
   22    HB3  GLU   4           HB1      GLU   4   4.099   1.247   7.246
   23    HG2  GLU   4           HG2      GLU   4   2.155   2.483   7.988
   24    HG3  GLU   4           HG1      GLU   4   1.624   1.263   6.837
   25    H    ARG   5           HN       ARG   5   4.753  -0.503   5.479
   26    HA   ARG   5           HA       ARG   5   2.870  -0.082   3.443
   27    HB2  ARG   5           HB2      ARG   5   5.090   0.551   3.006
   28    HB3  ARG   5           HB1      ARG   5   5.728  -1.018   3.486
   29    HG2  ARG   5           HG2      ARG   5   3.804  -1.093   1.200
   30    HG3  ARG   5           HG1      ARG   5   5.312  -0.268   0.875
   31    HD2  ARG   5           HD2      ARG   5   6.592  -2.221   1.627
   32    HD3  ARG   5           HD1      ARG   5   5.104  -3.070   2.012
   33    HE   ARG   5           HE       ARG   5   5.022  -2.248  -0.695
   34   HH11  ARG   5          HH11      ARG   5   5.399  -3.797  -2.298
   35   HH12  ARG   5          HH12      ARG   5   6.242  -5.258  -1.907
   36   HH21  ARG   5          HH21      ARG   5   6.678  -4.430   1.428
   37   HH22  ARG   5          HH22      ARG   5   6.966  -5.617   0.200
   38    H    ALA   6           HN       ALA   6   4.440  -3.069   4.575
   39    HA   ALA   6           HA       ALA   6   3.408  -4.760   2.591
   40    HB1  ALA   6           HB1      ALA   6   4.128  -5.334   5.477
   41    HB2  ALA   6           HB2      ALA   6   5.165  -5.533   4.063
   42    HB3  ALA   6           HB3      ALA   6   3.763  -6.579   4.284
   43    H    GLN   7           HN       GLN   7   2.093  -3.833   5.768
   44    HA   GLN   7           HA       GLN   7  -0.263  -5.444   5.570
   45    HB2  GLN   7           HB2      GLN   7   0.294  -2.912   7.155
   46    HB3  GLN   7           HB1      GLN   7  -1.133  -3.925   7.363
   47    HG2  GLN   7           HG2      GLN   7   1.732  -4.857   7.716
   48    HG3  GLN   7           HG1      GLN   7   0.627  -4.456   9.031
   49   HE21  GLN   7          HE21      GLN   7   1.888  -7.091   7.574
   50   HE22  GLN   7          HE22      GLN   7   0.576  -8.171   7.702
   51    H    LEU   8           HN       LEU   8   0.461  -2.077   4.698
   52    HA   LEU   8           HA       LEU   8  -2.167  -1.371   3.922
   53    HB2  LEU   8           HB2      LEU   8   0.513  -0.250   3.153
   54    HB3  LEU   8           HB1      LEU   8  -1.012   0.442   2.608
   55    HG   LEU   8           HG       LEU   8  -0.317  -0.012   5.522
   56   HD11  LEU   8          HD11      LEU   8   1.229   1.597   4.564
   57   HD12  LEU   8          HD12      LEU   8   0.056   2.450   5.569
   58   HD13  LEU   8          HD13      LEU   8  -0.103   2.472   3.814
   59   HD21  LEU   8          HD21      LEU   8  -2.176   1.904   5.603
   60   HD22  LEU   8          HD22      LEU   8  -2.636   0.211   5.510
   61   HD23  LEU   8          HD23      LEU   8  -2.647   1.205   4.054
   62    H    CYS   9           HN       CYS   9   0.553  -2.780   2.166
   63    HA   CYS   9           HA       CYS   9  -0.461  -2.592  -0.439
   64    HB2  CYS   9           HB2      CYS   9   1.854  -3.481   0.542
   65    HB3  CYS   9           HB1      CYS   9   1.063  -5.044   0.372
   66    H    THR  10           HN       THR  10  -0.904  -5.045   2.061
   67    HA   THR  10           HA       THR  10  -2.443  -6.894   0.574
   68    HB   THR  10           HB       THR  10  -2.467  -6.234   3.512
   69    HG1  THR  10           HG1      THR  10  -1.251  -8.464   3.100
   70   HG21  THR  10          HG21      THR  10  -3.533  -8.605   1.981
   71   HG22  THR  10          HG22      THR  10  -4.445  -7.488   2.998
   72   HG23  THR  10          HG23      THR  10  -3.286  -8.598   3.728
   73    H    ALA  11           HN       ALA  11  -3.393  -4.121   2.600
   74    HA   ALA  11           HA       ALA  11  -6.176  -4.488   2.346
   75    HB1  ALA  11           HB1      ALA  11  -6.269  -1.993   2.809
   76    HB2  ALA  11           HB2      ALA  11  -4.505  -2.006   2.789
   77    HB3  ALA  11           HB3      ALA  11  -5.380  -2.947   3.997
   78    H    ALA  12           HN       ALA  12  -3.857  -2.621   0.383
   79    HA   ALA  12           HA       ALA  12  -5.767  -1.594  -1.448
   80    HB1  ALA  12           HB1      ALA  12  -3.948  -0.757  -2.629
   81    HB2  ALA  12           HB2      ALA  12  -2.950  -2.178  -2.311
   82    HB3  ALA  12           HB3      ALA  12  -3.219  -0.991  -1.042
   83    H    GLU  13           HN       GLU  13  -3.682  -4.450  -1.509
   84    HA   GLU  13           HA       GLU  13  -4.443  -5.390  -4.064
   85    HB2  GLU  13           HB2      GLU  13  -2.398  -6.068  -2.831
   86    HB3  GLU  13           HB1      GLU  13  -3.409  -6.962  -1.678
   87    HG2  GLU  13           HG2      GLU  13  -3.568  -7.466  -4.664
   88    HG3  GLU  13           HG1      GLU  13  -2.376  -8.280  -3.658
   89    H    LYS  14           HN       LYS  14  -5.593  -6.161  -0.811
   90    HA   LYS  14           HA       LYS  14  -7.491  -8.128  -1.564
   91    HB2  LYS  14           HB2      LYS  14  -6.649  -7.898   0.733
   92    HB3  LYS  14           HB1      LYS  14  -7.418  -6.321   0.872
   93    HG2  LYS  14           HG2      LYS  14  -9.632  -7.375   0.518
   94    HG3  LYS  14           HG1      LYS  14  -8.850  -8.950   0.355
   95    HD2  LYS  14           HD2      LYS  14  -7.989  -8.770   2.654
   96    HD3  LYS  14           HD1      LYS  14  -8.745  -7.185   2.821
   97    HE2  LYS  14           HE2      LYS  14 -10.179  -8.895   3.832
   98    HE3  LYS  14           HE1      LYS  14 -10.963  -8.224   2.401
   99    HZ1  LYS  14           HZ1      LYS  14 -10.959 -10.724   2.618
  100    HZ2  LYS  14           HZ2      LYS  14  -9.293 -10.665   2.289
  101    HZ3  LYS  14           HZ3      LYS  14 -10.411 -10.102   1.139
  102    H    ALA  15           HN       ALA  15  -7.666  -4.621  -1.156
  103    HA   ALA  15           HA       ALA  15 -10.448  -4.323  -1.422
  104    HB1  ALA  15           HB1      ALA  15  -9.980  -2.000  -1.907
  105    HB2  ALA  15           HB2      ALA  15  -8.318  -2.385  -2.354
  106    HB3  ALA  15           HB3      ALA  15  -8.839  -2.546  -0.678
  107    H    ASP  16           HN       ASP  16  -7.865  -4.523  -3.811
  108    HA   ASP  16           HA       ASP  16  -9.393  -3.905  -6.106
  109    HB2  ASP  16           HB2      ASP  16  -6.919  -4.023  -6.097
  110    HB3  ASP  16           HB1      ASP  16  -7.016  -5.770  -5.891
  111    H    GLU  17           HN       GLU  17  -8.702  -6.952  -4.439
  112    HA   GLU  17           HA       GLU  17  -9.998  -8.673  -6.264
  113    HB2  GLU  17           HB2      GLU  17  -9.451  -8.913  -3.301
  114    HB3  GLU  17           HB1      GLU  17 -10.159 -10.215  -4.250
  115    HG2  GLU  17           HG2      GLU  17  -8.199 -10.213  -5.738
  116    HG3  GLU  17           HG1      GLU  17  -7.490  -8.889  -4.810
  117    H    LEU  18           HN       LEU  18 -11.188  -6.888  -3.442
  118    HA   LEU  18           HA       LEU  18 -13.772  -8.019  -3.389
  119    HB2  LEU  18           HB2      LEU  18 -12.765  -5.339  -2.455
  120    HB3  LEU  18           HB1      LEU  18 -14.398  -5.928  -2.152
  121    HG   LEU  18           HG       LEU  18 -11.867  -7.385  -1.337
  122   HD11  LEU  18          HD11      LEU  18 -12.053  -5.330  -0.083
  123   HD12  LEU  18          HD12      LEU  18 -12.531  -6.662   0.964
  124   HD13  LEU  18          HD13      LEU  18 -13.759  -5.629   0.234
  125   HD21  LEU  18          HD21      LEU  18 -14.804  -7.970  -1.091
  126   HD22  LEU  18          HD22      LEU  18 -13.756  -8.436   0.247
  127   HD23  LEU  18          HD23      LEU  18 -13.458  -9.073  -1.366
  128    H    GLY  19           HN       GLY  19 -12.456  -5.205  -5.092
  129    HA2  GLY  19           HA2      GLY  19 -13.382  -4.844  -7.373
  130    HA3  GLY  19           HA1      GLY  19 -14.979  -5.036  -6.662
  131    H1   SER   1           HN       SER   1 -12.060  -3.148  -5.837
  132    HA   SER   1           HA       SER   1 -13.586  -0.641  -6.030
  133    HB2  SER   1           HB2      SER   1 -12.869   0.074  -3.824
  134    HB3  SER   1           HB1      SER   1 -13.739  -1.451  -3.670
  135    HG   SER   1           HG       SER   1 -11.766  -1.464  -2.505
  136    HA   PRO   2           HA       PRO   2  -9.165  -0.743  -7.705
  137    HB2  PRO   2           HB2      PRO   2  -9.761   0.828  -9.937
  138    HB3  PRO   2           HB1      PRO   2  -9.758  -0.948  -9.916
  139    HG2  PRO   2           HG2      PRO   2 -12.061   0.940  -9.659
  140    HG3  PRO   2           HG1      PRO   2 -11.944  -0.586 -10.560
  141    HD2  PRO   2           HD2      PRO   2 -13.210  -0.477  -8.199
  142    HD3  PRO   2           HD1      PRO   2 -12.243  -1.898  -8.644
  143    H    GLU   3           HN       GLU   3 -11.513   1.858  -7.379
  144    HA   GLU   3           HA       GLU   3  -9.649   4.016  -7.355
  145    HB2  GLU   3           HB2      GLU   3 -12.466   3.716  -6.293
  146    HB3  GLU   3           HB1      GLU   3 -11.574   5.243  -6.284
  147    HG2  GLU   3           HG2      GLU   3 -11.365   5.222  -8.680
  148    HG3  GLU   3           HG1      GLU   3 -12.005   3.580  -8.773
  149    H    GLU   4           HN       GLU   4 -11.099   2.001  -4.827
  150    HA   GLU   4           HA       GLU   4  -9.947   3.455  -2.664
  151    HB2  GLU   4           HB2      GLU   4 -11.888   1.917  -2.417
  152    HB3  GLU   4           HB1      GLU   4 -10.825   0.556  -2.772
  153    HG2  GLU   4           HG2      GLU   4 -11.042   0.746  -0.369
  154    HG3  GLU   4           HG1      GLU   4  -9.411   1.232  -0.812
  155    H    ARG   5           HN       ARG   5  -9.006   0.653  -4.576
  156    HA   ARG   5           HA       ARG   5  -6.684  -0.064  -3.181
  157    HB2  ARG   5           HB2      ARG   5  -7.513  -1.606  -4.749
  158    HB3  ARG   5           HB1      ARG   5  -7.594  -0.403  -6.030
  159    HG2  ARG   5           HG2      ARG   5  -4.863  -0.855  -4.908
  160    HG3  ARG   5           HG1      ARG   5  -5.551  -2.222  -5.761
  161    HD2  ARG   5           HD2      ARG   5  -5.988  -0.821  -7.732
  162    HD3  ARG   5           HD1      ARG   5  -5.343   0.583  -6.897
  163    HE   ARG   5           HE       ARG   5  -3.392  -1.463  -6.880
  164   HH11  ARG   5          HH11      ARG   5  -1.662  -1.315  -8.330
  165   HH12  ARG   5          HH12      ARG   5  -1.805  -0.335  -9.749
  166   HH21  ARG   5          HH21      ARG   5  -5.039   0.688  -9.041
  167   HH22  ARG   5          HH22      ARG   5  -3.715   0.798 -10.152
  168    H    ALA   6           HN       ALA   6  -7.157   2.206  -5.885
  169    HA   ALA   6           HA       ALA   6  -4.456   2.796  -6.327
  170    HB1  ALA   6           HB1      ALA   6  -6.922   4.516  -6.684
  171    HB2  ALA   6           HB2      ALA   6  -6.126   3.527  -7.908
  172    HB3  ALA   6           HB3      ALA   6  -5.320   4.960  -7.271
  173    H    GLN   7           HN       GLN   7  -6.818   4.301  -4.141
  174    HA   GLN   7           HA       GLN   7  -5.025   6.287  -3.129
  175    HB2  GLN   7           HB2      GLN   7  -7.521   5.048  -1.915
  176    HB3  GLN   7           HB1      GLN   7  -6.682   6.452  -1.257
  177    HG2  GLN   7           HG2      GLN   7  -7.865   6.281  -4.045
  178    HG3  GLN   7           HG1      GLN   7  -8.612   7.106  -2.678
  179   HE21  GLN   7          HE21      GLN   7  -6.964   7.822  -5.406
  180   HE22  GLN   7          HE22      GLN   7  -6.094   9.192  -4.887
  181    H    LEU   8           HN       LEU   8  -5.872   2.998  -2.073
  182    HA   LEU   8           HA       LEU   8  -4.365   3.045   0.331
  183    HB2  LEU   8           HB2      LEU   8  -5.325   0.777  -1.395
  184    HB3  LEU   8           HB1      LEU   8  -4.485   0.541   0.135
  185    HG   LEU   8           HG       LEU   8  -6.994   2.209  -0.154
  186   HD11  LEU   8          HD11      LEU   8  -7.493  -0.097  -0.734
  187   HD12  LEU   8          HD12      LEU   8  -8.130   0.245   0.874
  188   HD13  LEU   8          HD13      LEU   8  -6.636  -0.671   0.694
  189   HD21  LEU   8          HD21      LEU   8  -6.989   1.508   2.419
  190   HD22  LEU   8          HD22      LEU   8  -6.060   2.893   1.870
  191   HD23  LEU   8          HD23      LEU   8  -5.254   1.351   2.150
  192    H    CYS   9           HN       CYS   9  -3.596   2.135  -2.990
  193    HA   CYS   9           HA       CYS   9  -1.102   0.931  -2.559
  194    HB2  CYS   9           HB2      CYS   9  -2.665   1.582  -4.769
  195    HB3  CYS   9           HB1      CYS   9  -1.231   2.563  -5.013
  196    H    THR  10           HN       THR  10  -2.002   4.306  -3.050
  197    HA   THR  10           HA       THR  10   0.578   5.458  -3.052
  198    HB   THR  10           HB       THR  10  -2.064   6.573  -2.135
  199    HG1  THR  10           HG1      THR  10  -1.441   7.569  -4.411
  200   HG21  THR  10          HG21      THR  10   0.544   7.918  -2.830
  201   HG22  THR  10          HG22      THR  10  -0.315   7.978  -1.291
  202   HG23  THR  10          HG23      THR  10  -0.997   8.771  -2.711
  203    H    ALA  11           HN       ALA  11  -1.719   4.831  -0.400
  204    HA   ALA  11           HA       ALA  11  -0.169   6.017   1.632
  205    HB1  ALA  11           HB1      ALA  11  -1.445   4.423   3.150
  206    HB2  ALA  11           HB2      ALA  11  -2.196   3.771   1.693
  207    HB3  ALA  11           HB3      ALA  11  -2.443   5.462   2.132
  208    H    ALA  12           HN       ALA  12  -0.272   2.686   0.377
  209    HA   ALA  12           HA       ALA  12   1.674   1.634   2.153
  210    HB1  ALA  12           HB1      ALA  12   1.553  -0.314   0.878
  211    HB2  ALA  12           HB2      ALA  12   1.333   0.565  -0.636
  212    HB3  ALA  12           HB3      ALA  12   0.002   0.436   0.508
  213    H    GLU  13           HN       GLU  13   1.883   2.989  -1.114
  214    HA   GLU  13           HA       GLU  13   4.657   2.578  -1.482
  215    HB2  GLU  13           HB2      GLU  13   3.013   3.045  -3.292
  216    HB3  GLU  13           HB1      GLU  13   2.878   4.713  -2.714
  217    HG2  GLU  13           HG2      GLU  13   5.558   3.484  -3.425
  218    HG3  GLU  13           HG1      GLU  13   4.536   4.226  -4.651
  219    H    LYS  14           HN       LYS  14   2.802   5.352  -0.330
  220    HA   LYS  14           HA       LYS  14   4.987   7.119   0.031
  221    HB2  LYS  14           HB2      LYS  14   2.656   7.881  -0.108
  222    HB3  LYS  14           HB1      LYS  14   2.279   7.054   1.399
  223    HG2  LYS  14           HG2      LYS  14   3.925   8.475   2.585
  224    HG3  LYS  14           HG1      LYS  14   4.317   9.283   1.063
  225    HD2  LYS  14           HD2      LYS  14   1.993  10.078   0.877
  226    HD3  LYS  14           HD1      LYS  14   1.586   9.257   2.385
  227    HE2  LYS  14           HE2      LYS  14   2.028  11.627   2.826
  228    HE3  LYS  14           HE1      LYS  14   3.287  10.635   3.564
  229    HZ1  LYS  14           HZ1      LYS  14   4.058  12.626   2.252
  230    HZ2  LYS  14           HZ2      LYS  14   3.563  11.795   0.854
  231    HZ3  LYS  14           HZ3      LYS  14   4.780  11.147   1.846
  232    H    ALA  15           HN       ALA  15   3.404   4.765   2.138
  233    HA   ALA  15           HA       ALA  15   4.722   5.416   4.533
  234    HB1  ALA  15           HB1      ALA  15   4.004   3.256   5.316
  235    HB2  ALA  15           HB2      ALA  15   3.843   2.654   3.668
  236    HB3  ALA  15           HB3      ALA  15   2.734   3.885   4.271
  237    H    ASP  16           HN       ASP  16   5.629   3.323   1.847
  238    HA   ASP  16           HA       ASP  16   7.936   2.166   3.004
  239    HB2  ASP  16           HB2      ASP  16   6.897   1.356   0.905
  240    HB3  ASP  16           HB1      ASP  16   7.434   2.820   0.089
  241    H    GLU  17           HN       GLU  17   7.417   5.110   1.106
  242    HA   GLU  17           HA       GLU  17  10.118   5.901   0.901
  243    HB2  GLU  17           HB2      GLU  17   7.543   7.485   0.874
  244    HB3  GLU  17           HB1      GLU  17   9.117   8.214   0.577
  245    HG2  GLU  17           HG2      GLU  17   9.485   6.676  -1.311
  246    HG3  GLU  17           HG1      GLU  17   7.918   5.922  -1.005
  247    H    LEU  18           HN       LEU  18   7.650   6.535   3.369
  248    HA   LEU  18           HA       LEU  18   9.153   8.383   4.881
  249    HB2  LEU  18           HB2      LEU  18   6.952   6.491   5.685
  250    HB3  LEU  18           HB1      LEU  18   7.633   7.708   6.762
  251    HG   LEU  18           HG       LEU  18   6.411   8.304   4.052
  252   HD11  LEU  18          HD11      LEU  18   4.689   7.508   5.539
  253   HD12  LEU  18          HD12      LEU  18   4.546   9.259   5.431
  254   HD13  LEU  18          HD13      LEU  18   5.288   8.521   6.849
  255   HD21  LEU  18          HD21      LEU  18   7.700   9.973   6.192
  256   HD22  LEU  18          HD22      LEU  18   6.322  10.657   5.330
  257   HD23  LEU  18          HD23      LEU  18   7.754  10.156   4.441
  258    H    GLY  19           HN       GLY  19   8.928   4.850   5.012
  259    HA2  GLY  19           HA2      GLY  19  11.078   3.704   5.527
  260    HA3  GLY  19           HA1      GLY  19  11.251   4.823   6.873
  261   HB11  B74 100          HB11      0AA 100   2.182  -1.848  -1.113
  262   HB12  B74 100          HB12      0AA 100   3.532  -2.928  -1.469
  263    HG   B74 100           HG       0AA 100   0.629  -1.249  -3.269
  264    HE1  B74 100           HE1      0AA 100   4.543  -2.908  -3.663
  265    HE2  B74 100           HE2      0AA 100   3.331   0.351  -6.192
  266    HZ   B74 100           HZ       0AA 100   4.984  -1.401  -5.578
  267   HB21  B74 100          HB21      0AA 100   1.188   1.316  -5.952
  268   HB22  B74 100          HB22      0AA 100   1.007   1.641  -4.227
  Start of MODEL   19
    1    H1   SER   1           HN       SER   1   8.686   3.211   5.830
    2    HA   SER   1           HA       SER   1   8.654   1.482   8.213
    3    HB2  SER   1           HB2      SER   1   6.137   1.895   8.267
    4    HB3  SER   1           HB1      SER   1   7.169   3.177   8.889
    5    HG   SER   1           HG       SER   1   5.885   3.005   6.370
    6    HA   PRO   2           HA       PRO   2   7.889  -0.620   4.057
    7    HB2  PRO   2           HB2      PRO   2   9.469  -2.837   4.638
    8    HB3  PRO   2           HB1      PRO   2  10.052  -1.376   3.812
    9    HG2  PRO   2           HG2      PRO   2  10.281  -2.130   6.696
   10    HG3  PRO   2           HG1      PRO   2  11.491  -1.405   5.621
   11    HD2  PRO   2           HD2      PRO   2  10.154   0.091   7.393
   12    HD3  PRO   2           HD1      PRO   2  10.556   0.734   5.787
   13    H    GLU   3           HN       GLU   3   7.791  -1.697   7.392
   14    HA   GLU   3           HA       GLU   3   6.245  -4.061   7.011
   15    HB2  GLU   3           HB2      GLU   3   6.595  -2.192   9.360
   16    HB3  GLU   3           HB1      GLU   3   5.685  -3.708   9.440
   17    HG2  GLU   3           HG2      GLU   3   7.615  -4.999   8.869
   18    HG3  GLU   3           HG1      GLU   3   8.535  -3.554   8.442
   19    H    GLU   4           HN       GLU   4   5.436  -0.657   7.570
   20    HA   GLU   4           HA       GLU   4   2.631  -1.091   7.804
   21    HB2  GLU   4           HB2      GLU   4   4.236   1.351   7.042
   22    HB3  GLU   4           HB1      GLU   4   2.480   1.358   7.212
   23    HG2  GLU   4           HG2      GLU   4   2.649   0.616   9.517
   24    HG3  GLU   4           HG1      GLU   4   4.399   0.465   9.378
   25    H    ARG   5           HN       ARG   5   4.804  -0.464   5.100
   26    HA   ARG   5           HA       ARG   5   2.868  -0.072   3.112
   27    HB2  ARG   5           HB2      ARG   5   5.101   0.448   2.589
   28    HB3  ARG   5           HB1      ARG   5   5.695  -1.126   3.106
   29    HG2  ARG   5           HG2      ARG   5   3.697  -1.187   0.879
   30    HG3  ARG   5           HG1      ARG   5   5.250  -0.450   0.488
   31    HD2  ARG   5           HD2      ARG   5   6.447  -2.454   1.234
   32    HD3  ARG   5           HD1      ARG   5   4.941  -3.203   1.737
   33    HE   ARG   5           HE       ARG   5   4.468  -3.684  -0.504
   34   HH11  ARG   5          HH11      ARG   5   5.065  -3.808  -2.705
   35   HH12  ARG   5          HH12      ARG   5   6.416  -2.887  -3.277
   36   HH21  ARG   5          HH21      ARG   5   7.106  -1.484  -0.178
   37   HH22  ARG   5          HH22      ARG   5   7.575  -1.570  -1.843
   38    H    ALA   6           HN       ALA   6   4.443  -3.098   4.193
   39    HA   ALA   6           HA       ALA   6   3.097  -4.775   2.375
   40    HB1  ALA   6           HB1      ALA   6   5.023  -5.619   3.491
   41    HB2  ALA   6           HB2      ALA   6   3.660  -6.579   4.065
   42    HB3  ALA   6           HB3      ALA   6   4.328  -5.299   5.080
   43    H    GLN   7           HN       GLN   7   2.282  -3.751   5.661
   44    HA   GLN   7           HA       GLN   7  -0.007  -5.377   5.979
   45    HB2  GLN   7           HB2      GLN   7   0.783  -2.731   7.205
   46    HB3  GLN   7           HB1      GLN   7  -0.640  -3.645   7.708
   47    HG2  GLN   7           HG2      GLN   7   0.732  -5.544   8.342
   48    HG3  GLN   7           HG1      GLN   7   2.175  -4.772   7.682
   49   HE21  GLN   7          HE21      GLN   7   1.553  -5.598  10.542
   50   HE22  GLN   7          HE22      GLN   7   1.761  -4.177  11.453
   51    H    LEU   8           HN       LEU   8   0.424  -2.138   4.615
   52    HA   LEU   8           HA       LEU   8  -2.423  -1.835   4.117
   53    HB2  LEU   8           HB2      LEU   8   0.022  -0.163   3.768
   54    HB3  LEU   8           HB1      LEU   8  -1.372   0.210   2.756
   55    HG   LEU   8           HG       LEU   8  -2.788   0.484   4.712
   56   HD11  LEU   8          HD11      LEU   8  -2.054  -1.096   6.296
   57   HD12  LEU   8          HD12      LEU   8  -1.555   0.435   7.011
   58   HD13  LEU   8          HD13      LEU   8  -0.377  -0.575   6.178
   59   HD21  LEU   8          HD21      LEU   8  -0.193   1.905   5.312
   60   HD22  LEU   8          HD22      LEU   8  -1.837   2.490   5.563
   61   HD23  LEU   8          HD23      LEU   8  -1.202   2.328   3.927
   62    H    CYS   9           HN       CYS   9   0.291  -3.203   2.507
   63    HA   CYS   9           HA       CYS   9  -0.471  -2.817  -0.184
   64    HB2  CYS   9           HB2      CYS   9   1.757  -3.713   0.660
   65    HB3  CYS   9           HB1      CYS   9   0.947  -5.263   0.878
   66    H    THR  10           HN       THR  10  -1.177  -5.448   2.117
   67    HA   THR  10           HA       THR  10  -2.725  -7.002   0.300
   68    HB   THR  10           HB       THR  10  -1.756  -7.725   2.557
   69    HG1  THR  10           HG1      THR  10  -3.377  -8.828   1.197
   70   HG21  THR  10          HG21      THR  10  -2.933  -7.280   4.539
   71   HG22  THR  10          HG22      THR  10  -4.393  -6.800   3.673
   72   HG23  THR  10          HG23      THR  10  -2.995  -5.731   3.703
   73    H    ALA  11           HN       ALA  11  -3.554  -4.395   2.535
   74    HA   ALA  11           HA       ALA  11  -6.350  -4.619   2.310
   75    HB1  ALA  11           HB1      ALA  11  -6.410  -2.292   3.060
   76    HB2  ALA  11           HB2      ALA  11  -4.697  -2.112   2.684
   77    HB3  ALA  11           HB3      ALA  11  -5.207  -3.197   3.978
   78    H    ALA  12           HN       ALA  12  -3.999  -2.747   0.385
   79    HA   ALA  12           HA       ALA  12  -5.927  -1.575  -1.339
   80    HB1  ALA  12           HB1      ALA  12  -3.462  -0.918  -0.966
   81    HB2  ALA  12           HB2      ALA  12  -4.102  -0.808  -2.605
   82    HB3  ALA  12           HB3      ALA  12  -3.089  -2.176  -2.145
   83    H    GLU  13           HN       GLU  13  -3.896  -4.482  -1.643
   84    HA   GLU  13           HA       GLU  13  -4.804  -5.197  -4.242
   85    HB2  GLU  13           HB2      GLU  13  -2.703  -6.047  -3.280
   86    HB3  GLU  13           HB1      GLU  13  -3.619  -6.950  -2.069
   87    HG2  GLU  13           HG2      GLU  13  -4.712  -8.253  -3.840
   88    HG3  GLU  13           HG1      GLU  13  -3.873  -7.314  -5.073
   89    H    LYS  14           HN       LYS  14  -5.798  -6.133  -0.996
   90    HA   LYS  14           HA       LYS  14  -7.708  -8.073  -1.723
   91    HB2  LYS  14           HB2      LYS  14  -6.818  -7.852   0.558
   92    HB3  LYS  14           HB1      LYS  14  -7.609  -6.286   0.727
   93    HG2  LYS  14           HG2      LYS  14  -9.815  -7.371   0.394
   94    HG3  LYS  14           HG1      LYS  14  -9.012  -8.932   0.213
   95    HD2  LYS  14           HD2      LYS  14  -8.120  -8.734   2.510
   96    HD3  LYS  14           HD1      LYS  14  -8.940  -7.181   2.687
   97    HE2  LYS  14           HE2      LYS  14 -11.116  -8.277   2.315
   98    HE3  LYS  14           HE1      LYS  14 -10.304  -9.832   2.130
   99    HZ1  LYS  14           HZ1      LYS  14 -10.928  -8.361   4.520
  100    HZ2  LYS  14           HZ2      LYS  14  -9.320  -8.911   4.469
  101    HZ3  LYS  14           HZ3      LYS  14 -10.604 -10.014   4.317
  102    H    ALA  15           HN       ALA  15  -7.936  -4.566  -1.236
  103    HA   ALA  15           HA       ALA  15 -10.726  -4.351  -1.447
  104    HB1  ALA  15           HB1      ALA  15  -9.513  -2.460  -0.654
  105    HB2  ALA  15           HB2      ALA  15 -10.189  -1.981  -2.210
  106    HB3  ALA  15           HB3      ALA  15  -8.490  -2.431  -2.089
  107    H    ASP  16           HN       ASP  16  -8.188  -4.367  -3.890
  108    HA   ASP  16           HA       ASP  16  -9.814  -3.757  -6.122
  109    HB2  ASP  16           HB2      ASP  16  -7.349  -3.683  -6.186
  110    HB3  ASP  16           HB1      ASP  16  -7.299  -5.440  -6.025
  111    H    GLU  17           HN       GLU  17  -8.938  -6.813  -4.572
  112    HA   GLU  17           HA       GLU  17 -10.125  -8.550  -6.449
  113    HB2  GLU  17           HB2      GLU  17  -9.586  -8.839  -3.488
  114    HB3  GLU  17           HB1      GLU  17 -10.188 -10.158  -4.491
  115    HG2  GLU  17           HG2      GLU  17  -8.222  -9.984  -5.944
  116    HG3  GLU  17           HG1      GLU  17  -7.628  -8.615  -5.003
  117    H    LEU  18           HN       LEU  18 -11.420  -6.906  -3.595
  118    HA   LEU  18           HA       LEU  18 -13.939  -8.173  -3.541
  119    HB2  LEU  18           HB2      LEU  18 -13.043  -5.458  -2.610
  120    HB3  LEU  18           HB1      LEU  18 -14.647  -6.113  -2.287
  121    HG   LEU  18           HG       LEU  18 -12.058  -7.498  -1.517
  122   HD11  LEU  18          HD11      LEU  18 -12.555  -5.277  -0.355
  123   HD12  LEU  18          HD12      LEU  18 -12.371  -6.678   0.696
  124   HD13  LEU  18          HD13      LEU  18 -13.979  -6.067   0.316
  125   HD21  LEU  18          HD21      LEU  18 -13.637  -9.211  -1.522
  126   HD22  LEU  18          HD22      LEU  18 -14.983  -8.126  -1.175
  127   HD23  LEU  18          HD23      LEU  18 -13.870  -8.595   0.110
  128    H    GLY  19           HN       GLY  19 -12.785  -5.279  -5.219
  129    HA2  GLY  19           HA2      GLY  19 -13.819  -5.039  -7.518
  130    HA3  GLY  19           HA1      GLY  19 -15.368  -5.117  -6.684
  131    H1   SER   1           HN       SER   1 -12.395  -3.418  -5.712
  132    HA   SER   1           HA       SER   1 -13.689  -0.817  -6.177
  133    HB2  SER   1           HB2      SER   1 -12.801  -0.137  -3.882
  134    HB3  SER   1           HB1      SER   1 -14.237  -1.154  -3.910
  135    HG   SER   1           HG       SER   1 -11.564  -1.841  -3.331
  136    HA   PRO   2           HA       PRO   2  -9.159  -1.219  -7.445
  137    HB2  PRO   2           HB2      PRO   2  -9.480   0.176  -9.834
  138    HB3  PRO   2           HB1      PRO   2  -9.603  -1.589  -9.675
  139    HG2  PRO   2           HG2      PRO   2 -11.783   0.454  -9.743
  140    HG3  PRO   2           HG1      PRO   2 -11.697  -1.128 -10.539
  141    HD2  PRO   2           HD2      PRO   2 -13.137  -0.787  -8.307
  142    HD3  PRO   2           HD1      PRO   2 -12.235  -2.292  -8.581
  143    H    GLU   3           HN       GLU   3 -11.435   1.448  -7.348
  144    HA   GLU   3           HA       GLU   3  -9.561   3.588  -7.430
  145    HB2  GLU   3           HB2      GLU   3 -12.336   3.335  -6.262
  146    HB3  GLU   3           HB1      GLU   3 -11.437   4.856  -6.327
  147    HG2  GLU   3           HG2      GLU   3 -11.323   4.789  -8.715
  148    HG3  GLU   3           HG1      GLU   3 -11.923   3.129  -8.759
  149    H    GLU   4           HN       GLU   4 -10.947   1.650  -4.807
  150    HA   GLU   4           HA       GLU   4  -9.756   3.151  -2.704
  151    HB2  GLU   4           HB2      GLU   4 -10.745   0.300  -2.843
  152    HB3  GLU   4           HB1      GLU   4 -10.119   1.037  -1.366
  153    HG2  GLU   4           HG2      GLU   4 -11.800   2.787  -1.470
  154    HG3  GLU   4           HG1      GLU   4 -12.390   2.176  -3.013
  155    H    ARG   5           HN       ARG   5  -8.696   0.401  -4.639
  156    HA   ARG   5           HA       ARG   5  -6.379  -0.236  -3.208
  157    HB2  ARG   5           HB2      ARG   5  -7.104  -1.763  -4.840
  158    HB3  ARG   5           HB1      ARG   5  -7.215  -0.529  -6.090
  159    HG2  ARG   5           HG2      ARG   5  -4.489  -0.898  -4.922
  160    HG3  ARG   5           HG1      ARG   5  -5.110  -2.271  -5.841
  161    HD2  ARG   5           HD2      ARG   5  -5.532  -0.835  -7.787
  162    HD3  ARG   5           HD1      ARG   5  -4.998   0.577  -6.892
  163    HE   ARG   5           HE       ARG   5  -2.782  -0.102  -7.204
  164   HH11  ARG   5          HH11      ARG   5  -1.203  -1.440  -8.168
  165   HH12  ARG   5          HH12      ARG   5  -1.672  -2.959  -8.856
  166   HH21  ARG   5          HH21      ARG   5  -5.027  -2.585  -8.049
  167   HH22  ARG   5          HH22      ARG   5  -3.841  -3.608  -8.788
  168    H    ALA   6           HN       ALA   6  -6.816   1.993  -5.969
  169    HA   ALA   6           HA       ALA   6  -4.130   2.799  -6.123
  170    HB1  ALA   6           HB1      ALA   6  -5.547   3.311  -7.956
  171    HB2  ALA   6           HB2      ALA   6  -5.116   4.864  -7.240
  172    HB3  ALA   6           HB3      ALA   6  -6.700   4.156  -6.925
  173    H    GLN   7           HN       GLN   7  -6.851   4.098  -4.284
  174    HA   GLN   7           HA       GLN   7  -5.505   6.359  -3.240
  175    HB2  GLN   7           HB2      GLN   7  -7.850   4.750  -2.220
  176    HB3  GLN   7           HB1      GLN   7  -7.291   6.239  -1.457
  177    HG2  GLN   7           HG2      GLN   7  -7.691   7.500  -3.490
  178    HG3  GLN   7           HG1      GLN   7  -8.075   6.023  -4.378
  179   HE21  GLN   7          HE21      GLN   7  -9.822   8.438  -3.777
  180   HE22  GLN   7          HE22      GLN   7 -11.194   7.792  -3.006
  181    H    LEU   8           HN       LEU   8  -5.757   3.010  -2.118
  182    HA   LEU   8           HA       LEU   8  -4.256   3.598   0.311
  183    HB2  LEU   8           HB2      LEU   8  -5.696   1.258  -0.841
  184    HB3  LEU   8           HB1      LEU   8  -4.384   0.911   0.285
  185    HG   LEU   8           HG       LEU   8  -5.415   2.311   1.994
  186   HD11  LEU   8          HD11      LEU   8  -6.461   4.096   0.879
  187   HD12  LEU   8          HD12      LEU   8  -7.837   3.137   1.423
  188   HD13  LEU   8          HD13      LEU   8  -7.294   3.031  -0.250
  189   HD21  LEU   8          HD21      LEU   8  -7.614   0.619   0.802
  190   HD22  LEU   8          HD22      LEU   8  -7.266   0.913   2.506
  191   HD23  LEU   8          HD23      LEU   8  -6.183  -0.093   1.547
  192    H    CYS   9           HN       CYS   9  -3.585   2.769  -2.942
  193    HA   CYS   9           HA       CYS   9  -1.216   1.258  -2.611
  194    HB2  CYS   9           HB2      CYS   9  -2.552   1.618  -4.766
  195    HB3  CYS   9           HB1      CYS   9  -1.727   3.170  -4.889
  196    H    THR  10           HN       THR  10  -1.765   4.752  -3.013
  197    HA   THR  10           HA       THR  10   0.969   5.512  -2.924
  198    HB   THR  10           HB       THR  10  -1.029   6.909  -3.705
  199    HG1  THR  10           HG1      THR  10   1.178   7.639  -3.242
  200   HG21  THR  10          HG21      THR  10  -2.324   8.091  -2.140
  201   HG22  THR  10          HG22      THR  10  -1.179   7.796  -0.831
  202   HG23  THR  10          HG23      THR  10  -2.205   6.489  -1.415
  203    H    ALA  11           HN       ALA  11  -1.491   5.070  -0.431
  204    HA   ALA  11           HA       ALA  11  -0.018   6.175   1.699
  205    HB1  ALA  11           HB1      ALA  11  -1.476   4.838   3.150
  206    HB2  ALA  11           HB2      ALA  11  -1.994   3.884   1.761
  207    HB3  ALA  11           HB3      ALA  11  -2.409   5.595   1.860
  208    H    ALA  12           HN       ALA  12  -0.165   2.846   0.433
  209    HA   ALA  12           HA       ALA  12   1.640   1.752   2.330
  210    HB1  ALA  12           HB1      ALA  12   0.007   0.547   0.725
  211    HB2  ALA  12           HB2      ALA  12   1.570  -0.205   1.040
  212    HB3  ALA  12           HB3      ALA  12   1.305   0.681  -0.462
  213    H    GLU  13           HN       GLU  13   2.097   3.001  -0.968
  214    HA   GLU  13           HA       GLU  13   4.885   2.459  -1.094
  215    HB2  GLU  13           HB2      GLU  13   3.491   2.823  -3.094
  216    HB3  GLU  13           HB1      GLU  13   3.259   4.509  -2.623
  217    HG2  GLU  13           HG2      GLU  13   5.677   4.906  -2.773
  218    HG3  GLU  13           HG1      GLU  13   5.948   3.210  -3.166
  219    H    LYS  14           HN       LYS  14   3.014   5.301  -0.186
  220    HA   LYS  14           HA       LYS  14   5.170   7.083   0.181
  221    HB2  LYS  14           HB2      LYS  14   2.832   7.822  -0.001
  222    HB3  LYS  14           HB1      LYS  14   2.451   7.036   1.531
  223    HG2  LYS  14           HG2      LYS  14   4.087   8.499   2.684
  224    HG3  LYS  14           HG1      LYS  14   4.478   9.268   1.144
  225    HD2  LYS  14           HD2      LYS  14   2.135  10.036   0.941
  226    HD3  LYS  14           HD1      LYS  14   1.759   9.278   2.490
  227    HE2  LYS  14           HE2      LYS  14   3.418  10.716   3.608
  228    HE3  LYS  14           HE1      LYS  14   3.809  11.473   2.063
  229    HZ1  LYS  14           HZ1      LYS  14   1.577  11.927   3.809
  230    HZ2  LYS  14           HZ2      LYS  14   1.113  11.679   2.194
  231    HZ3  LYS  14           HZ3      LYS  14   2.213  12.914   2.584
  232    H    ALA  15           HN       ALA  15   3.560   4.800   2.372
  233    HA   ALA  15           HA       ALA  15   4.878   5.568   4.731
  234    HB1  ALA  15           HB1      ALA  15   2.995   4.127   4.930
  235    HB2  ALA  15           HB2      ALA  15   4.383   3.160   5.426
  236    HB3  ALA  15           HB3      ALA  15   3.691   2.950   3.819
  237    H    ASP  16           HN       ASP  16   5.764   3.299   2.186
  238    HA   ASP  16           HA       ASP  16   8.069   2.233   3.425
  239    HB2  ASP  16           HB2      ASP  16   7.014   1.226   1.433
  240    HB3  ASP  16           HB1      ASP  16   7.528   2.614   0.471
  241    H    GLU  17           HN       GLU  17   7.570   5.049   1.343
  242    HA   GLU  17           HA       GLU  17  10.276   5.777   1.025
  243    HB2  GLU  17           HB2      GLU  17   7.727   7.403   0.980
  244    HB3  GLU  17           HB1      GLU  17   9.306   8.072   0.571
  245    HG2  GLU  17           HG2      GLU  17   9.573   6.416  -1.216
  246    HG3  GLU  17           HG1      GLU  17   8.029   5.681  -0.785
  247    H    LEU  18           HN       LEU  18   7.888   6.580   3.511
  248    HA   LEU  18           HA       LEU  18   9.420   8.501   4.894
  249    HB2  LEU  18           HB2      LEU  18   7.242   6.639   5.810
  250    HB3  LEU  18           HB1      LEU  18   7.926   7.907   6.826
  251    HG   LEU  18           HG       LEU  18   6.691   8.396   4.098
  252   HD11  LEU  18          HD11      LEU  18   5.119   7.554   5.924
  253   HD12  LEU  18          HD12      LEU  18   4.710   9.112   5.208
  254   HD13  LEU  18          HD13      LEU  18   5.489   9.044   6.787
  255   HD21  LEU  18          HD21      LEU  18   8.024  10.271   4.447
  256   HD22  LEU  18          HD22      LEU  18   7.941  10.145   6.203
  257   HD23  LEU  18          HD23      LEU  18   6.572  10.786   5.296
  258    H    GLY  19           HN       GLY  19   9.189   4.984   5.210
  259    HA2  GLY  19           HA2      GLY  19  11.425   3.934   5.762
  260    HA3  GLY  19           HA1      GLY  19  11.448   5.024   7.145
  261   HB11  B74 100          HB11      0AA 100   1.559  -2.342  -1.222
  262   HB12  B74 100          HB12      0AA 100   2.993  -3.179  -1.820
  263    HG   B74 100           HG       0AA 100  -0.061  -1.422  -2.709
  264    HE1  B74 100           HE1      0AA 100   3.176  -3.839  -4.196
  265    HE2  B74 100           HE2      0AA 100   0.935  -1.339  -6.897
  266    HZ   B74 100           HZ       0AA 100   2.783  -2.953  -6.486
  267   HB21  B74 100          HB21      0AA 100  -1.566  -0.415  -4.280
  268   HB22  B74 100          HB22      0AA 100  -1.352  -0.611  -6.022
  Start of MODEL   20
    1    H1   SER   1           HN       SER   1   8.555   2.752   5.439
    2    HA   SER   1           HA       SER   1   8.628   1.321   8.026
    3    HB2  SER   1           HB2      SER   1   6.194   2.684   6.854
    4    HB3  SER   1           HB1      SER   1   6.212   1.654   8.283
    5    HG   SER   1           HG       SER   1   7.935   3.222   8.994
    6    HA   PRO   2           HA       PRO   2   8.163  -1.457   4.285
    7    HB2  PRO   2           HB2      PRO   2   9.598  -3.192   6.286
    8    HB3  PRO   2           HB1      PRO   2   9.888  -3.001   4.542
    9    HG2  PRO   2           HG2      PRO   2  11.502  -1.875   6.328
   10    HG3  PRO   2           HG1      PRO   2  11.076  -1.027   4.823
   11    HD2  PRO   2           HD2      PRO   2  10.076  -0.546   7.612
   12    HD3  PRO   2           HD1      PRO   2  10.386   0.620   6.304
   13    H    GLU   3           HN       GLU   3   7.713  -2.060   7.770
   14    HA   GLU   3           HA       GLU   3   6.013  -4.319   7.552
   15    HB2  GLU   3           HB2      GLU   3   6.281  -2.185   9.685
   16    HB3  GLU   3           HB1      GLU   3   5.278  -3.631   9.864
   17    HG2  GLU   3           HG2      GLU   3   7.158  -5.083   9.685
   18    HG3  GLU   3           HG1      GLU   3   8.203  -3.770   9.118
   19    H    GLU   4           HN       GLU   4   5.332  -0.829   7.692
   20    HA   GLU   4           HA       GLU   4   2.486  -1.102   7.647
   21    HB2  GLU   4           HB2      GLU   4   4.340   1.163   6.917
   22    HB3  GLU   4           HB1      GLU   4   2.588   1.307   6.858
   23    HG2  GLU   4           HG2      GLU   4   4.129   0.464   9.314
   24    HG3  GLU   4           HG1      GLU   4   3.581   2.110   9.004
   25    H    ARG   5           HN       ARG   5   4.971  -0.795   5.149
   26    HA   ARG   5           HA       ARG   5   3.293  -0.422   2.940
   27    HB2  ARG   5           HB2      ARG   5   5.624  -0.129   2.609
   28    HB3  ARG   5           HB1      ARG   5   6.006  -1.710   3.288
   29    HG2  ARG   5           HG2      ARG   5   4.171  -1.821   0.920
   30    HG3  ARG   5           HG1      ARG   5   5.761  -1.174   0.564
   31    HD2  ARG   5           HD2      ARG   5   6.827  -3.145   1.608
   32    HD3  ARG   5           HD1      ARG   5   5.251  -3.803   2.006
   33    HE   ARG   5           HE       ARG   5   5.414  -3.250  -0.788
   34   HH11  ARG   5          HH11      ARG   5   5.647  -5.019  -2.189
   35   HH12  ARG   5          HH12      ARG   5   6.189  -6.542  -1.568
   36   HH21  ARG   5          HH21      ARG   5   6.482  -5.408   1.696
   37   HH22  ARG   5          HH22      ARG   5   6.662  -6.762   0.632
   38    H    ALA   6           HN       ALA   6   4.490  -3.430   4.450
   39    HA   ALA   6           HA       ALA   6   3.255  -5.194   2.619
   40    HB1  ALA   6           HB1      ALA   6   3.922  -5.656   5.539
   41    HB2  ALA   6           HB2      ALA   6   5.050  -5.857   4.197
   42    HB3  ALA   6           HB3      ALA   6   3.638  -6.906   4.327
   43    H    GLN   7           HN       GLN   7   2.201  -3.939   5.783
   44    HA   GLN   7           HA       GLN   7  -0.298  -5.345   5.799
   45    HB2  GLN   7           HB2      GLN   7   0.650  -2.856   7.257
   46    HB3  GLN   7           HB1      GLN   7  -0.899  -3.642   7.561
   47    HG2  GLN   7           HG2      GLN   7   0.265  -5.741   8.124
   48    HG3  GLN   7           HG1      GLN   7   1.819  -4.962   7.814
   49   HE21  GLN   7          HE21      GLN   7   2.729  -4.754   9.883
   50   HE22  GLN   7          HE22      GLN   7   1.944  -4.013  11.203
   51    H    LEU   8           HN       LEU   8   0.660  -2.094   4.753
   52    HA   LEU   8           HA       LEU   8  -1.929  -1.161   4.132
   53    HB2  LEU   8           HB2      LEU   8   0.783  -0.311   3.160
   54    HB3  LEU   8           HB1      LEU   8  -0.713   0.520   2.755
   55    HG   LEU   8           HG       LEU   8   0.068  -0.020   5.625
   56   HD11  LEU   8          HD11      LEU   8   0.603   2.434   3.950
   57   HD12  LEU   8          HD12      LEU   8   1.831   1.339   4.569
   58   HD13  LEU   8          HD13      LEU   8   0.871   2.316   5.678
   59   HD21  LEU   8          HD21      LEU   8  -1.427   2.078   5.855
   60   HD22  LEU   8          HD22      LEU   8  -2.195   0.531   5.573
   61   HD23  LEU   8          HD23      LEU   8  -2.003   1.667   4.241
   62    H    CYS   9           HN       CYS   9   0.532  -2.839   2.273
   63    HA   CYS   9           HA       CYS   9  -0.689  -2.646  -0.251
   64    HB2  CYS   9           HB2      CYS   9   1.405  -4.323   0.991
   65    HB3  CYS   9           HB1      CYS   9   0.611  -5.070  -0.383
   66    H    THR  10           HN       THR  10  -1.136  -4.897   2.428
   67    HA   THR  10           HA       THR  10  -2.782  -6.789   1.117
   68    HB   THR  10           HB       THR  10  -2.859  -5.864   3.979
   69    HG1  THR  10           HG1      THR  10  -0.857  -6.657   3.541
   70   HG21  THR  10          HG21      THR  10  -4.864  -7.086   3.464
   71   HG22  THR  10          HG22      THR  10  -3.790  -8.158   4.361
   72   HG23  THR  10          HG23      THR  10  -3.936  -8.319   2.610
   73    H    ALA  11           HN       ALA  11  -3.572  -3.747   2.786
   74    HA   ALA  11           HA       ALA  11  -6.394  -3.956   2.547
   75    HB1  ALA  11           HB1      ALA  11  -6.445  -1.626   3.054
   76    HB2  ALA  11           HB2      ALA  11  -4.826  -1.374   2.399
   77    HB3  ALA  11           HB3      ALA  11  -5.040  -2.264   3.906
   78    H    ALA  12           HN       ALA  12  -3.945  -2.508   0.384
   79    HA   ALA  12           HA       ALA  12  -5.824  -1.638  -1.592
   80    HB1  ALA  12           HB1      ALA  12  -2.951  -2.306  -2.184
   81    HB2  ALA  12           HB2      ALA  12  -3.364  -0.894  -1.223
   82    HB3  ALA  12           HB3      ALA  12  -3.959  -1.035  -2.874
   83    H    GLU  13           HN       GLU  13  -3.786  -4.521  -1.235
   84    HA   GLU  13           HA       GLU  13  -4.459  -5.714  -3.710
   85    HB2  GLU  13           HB2      GLU  13  -2.504  -6.397  -2.381
   86    HB3  GLU  13           HB1      GLU  13  -3.583  -7.028  -1.111
   87    HG2  GLU  13           HG2      GLU  13  -4.541  -8.641  -2.707
   88    HG3  GLU  13           HG1      GLU  13  -3.569  -7.969  -4.016
   89    H    LYS  14           HN       LYS  14  -5.813  -6.045  -0.451
   90    HA   LYS  14           HA       LYS  14  -7.727  -8.024  -1.073
   91    HB2  LYS  14           HB2      LYS  14  -7.068  -7.490   1.231
   92    HB3  LYS  14           HB1      LYS  14  -7.796  -5.898   1.077
   93    HG2  LYS  14           HG2      LYS  14 -10.011  -6.947   0.682
   94    HG3  LYS  14           HG1      LYS  14  -9.269  -8.547   0.785
   95    HD2  LYS  14           HD2      LYS  14  -8.586  -8.062   3.111
   96    HD3  LYS  14           HD1      LYS  14  -9.343  -6.472   2.997
   97    HE2  LYS  14           HE2      LYS  14 -11.528  -7.538   2.572
   98    HE3  LYS  14           HE1      LYS  14 -10.773  -9.128   2.681
   99    HZ1  LYS  14           HZ1      LYS  14 -11.072  -7.107   4.823
  100    HZ2  LYS  14           HZ2      LYS  14 -10.019  -8.434   4.958
  101    HZ3  LYS  14           HZ3      LYS  14 -11.691  -8.686   4.785
  102    H    ALA  15           HN       ALA  15  -7.870  -4.481  -1.058
  103    HA   ALA  15           HA       ALA  15 -10.606  -4.218  -1.632
  104    HB1  ALA  15           HB1      ALA  15  -8.367  -2.362  -2.465
  105    HB2  ALA  15           HB2      ALA  15  -9.129  -2.358  -0.875
  106    HB3  ALA  15           HB3      ALA  15 -10.071  -1.942  -2.307
  107    H    ASP  16           HN       ASP  16  -7.807  -4.613  -3.724
  108    HA   ASP  16           HA       ASP  16  -9.067  -4.130  -6.196
  109    HB2  ASP  16           HB2      ASP  16  -6.618  -4.294  -5.926
  110    HB3  ASP  16           HB1      ASP  16  -6.777  -6.021  -5.588
  111    H    GLU  17           HN       GLU  17  -8.654  -7.132  -4.326
  112    HA   GLU  17           HA       GLU  17  -9.845  -8.846  -6.215
  113    HB2  GLU  17           HB2      GLU  17  -8.453  -9.526  -4.205
  114    HB3  GLU  17           HB1      GLU  17  -9.877  -9.209  -3.210
  115    HG2  GLU  17           HG2      GLU  17  -9.992 -11.047  -5.609
  116    HG3  GLU  17           HG1      GLU  17  -9.526 -11.633  -4.018
  117    H    LEU  18           HN       LEU  18 -11.175  -6.965  -3.535
  118    HA   LEU  18           HA       LEU  18 -13.794  -7.999  -3.612
  119    HB2  LEU  18           HB2      LEU  18 -12.721  -5.336  -2.716
  120    HB3  LEU  18           HB1      LEU  18 -14.400  -5.813  -2.508
  121    HG   LEU  18           HG       LEU  18 -12.051  -7.437  -1.480
  122   HD11  LEU  18          HD11      LEU  18 -13.914  -5.740   0.178
  123   HD12  LEU  18          HD12      LEU  18 -12.388  -5.111  -0.429
  124   HD13  LEU  18          HD13      LEU  18 -12.397  -6.485   0.666
  125   HD21  LEU  18          HD21      LEU  18 -15.051  -7.707  -1.375
  126   HD22  LEU  18          HD22      LEU  18 -14.124  -8.235   0.020
  127   HD23  LEU  18          HD23      LEU  18 -13.815  -8.948  -1.549
  128    H    GLY  19           HN       GLY  19 -12.278  -5.301  -5.302
  129    HA2  GLY  19           HA2      GLY  19 -13.018  -4.947  -7.633
  130    HA3  GLY  19           HA1      GLY  19 -14.672  -5.146  -7.073
  131    H1   SER   1           HN       SER   1 -11.875  -3.233  -5.902
  132    HA   SER   1           HA       SER   1 -13.481  -0.778  -6.247
  133    HB2  SER   1           HB2      SER   1 -11.970  -1.531  -3.735
  134    HB3  SER   1           HB1      SER   1 -12.778   0.004  -4.036
  135    HG   SER   1           HG       SER   1 -14.688  -1.437  -4.456
  136    HA   PRO   2           HA       PRO   2  -9.156  -0.613  -8.059
  137    HB2  PRO   2           HB2      PRO   2 -10.755   1.226  -9.829
  138    HB3  PRO   2           HB1      PRO   2  -9.516   0.028 -10.269
  139    HG2  PRO   2           HG2      PRO   2 -12.093  -0.473 -10.662
  140    HG3  PRO   2           HG1      PRO   2 -10.995  -1.756 -10.107
  141    HD2  PRO   2           HD2      PRO   2 -13.046  -0.222  -8.547
  142    HD3  PRO   2           HD1      PRO   2 -12.535  -1.918  -8.383
  143    H    GLU   3           HN       GLU   3 -11.571   1.917  -7.396
  144    HA   GLU   3           HA       GLU   3  -9.801   4.127  -7.295
  145    HB2  GLU   3           HB2      GLU   3 -12.460   3.605  -5.945
  146    HB3  GLU   3           HB1      GLU   3 -11.623   5.162  -5.893
  147    HG2  GLU   3           HG2      GLU   3 -11.742   5.413  -8.266
  148    HG3  GLU   3           HG1      GLU   3 -12.265   3.735  -8.478
  149    H    GLU   4           HN       GLU   4 -10.945   1.880  -4.779
  150    HA   GLU   4           HA       GLU   4  -9.562   3.140  -2.623
  151    HB2  GLU   4           HB2      GLU   4 -10.613   0.341  -3.022
  152    HB3  GLU   4           HB1      GLU   4  -9.863   0.876  -1.524
  153    HG2  GLU   4           HG2      GLU   4 -12.223   2.252  -2.806
  154    HG3  GLU   4           HG1      GLU   4 -12.353   1.062  -1.512
  155    H    ARG   5           HN       ARG   5  -8.706   0.583  -4.918
  156    HA   ARG   5           HA       ARG   5  -6.304  -0.239  -3.745
  157    HB2  ARG   5           HB2      ARG   5  -7.150  -1.553  -5.525
  158    HB3  ARG   5           HB1      ARG   5  -7.297  -0.158  -6.596
  159    HG2  ARG   5           HG2      ARG   5  -4.513  -0.632  -5.592
  160    HG3  ARG   5           HG1      ARG   5  -5.148  -1.927  -6.594
  161    HD2  ARG   5           HD2      ARG   5  -5.745  -0.301  -8.361
  162    HD3  ARG   5           HD1      ARG   5  -5.135   1.011  -7.374
  163    HE   ARG   5           HE       ARG   5  -3.127  -0.986  -7.717
  164   HH11  ARG   5          HH11      ARG   5  -1.425  -0.515  -9.140
  165   HH12  ARG   5          HH12      ARG   5  -1.603   0.758 -10.302
  166   HH21  ARG   5          HH21      ARG   5  -4.822   1.576  -9.307
  167   HH22  ARG   5          HH22      ARG   5  -3.526   1.941 -10.397
  168    H    ALA   6           HN       ALA   6  -6.947   2.343  -6.121
  169    HA   ALA   6           HA       ALA   6  -4.262   3.157  -6.436
  170    HB1  ALA   6           HB1      ALA   6  -6.789   4.810  -6.698
  171    HB2  ALA   6           HB2      ALA   6  -6.089   3.813  -7.973
  172    HB3  ALA   6           HB3      ALA   6  -5.210   5.218  -7.369
  173    H    GLN   7           HN       GLN   7  -6.857   4.333  -4.301
  174    HA   GLN   7           HA       GLN   7  -5.251   6.348  -3.039
  175    HB2  GLN   7           HB2      GLN   7  -7.805   4.948  -2.182
  176    HB3  GLN   7           HB1      GLN   7  -7.079   6.296  -1.306
  177    HG2  GLN   7           HG2      GLN   7  -7.235   7.700  -3.333
  178    HG3  GLN   7           HG1      GLN   7  -7.978   6.353  -4.201
  179   HE21  GLN   7          HE21      GLN   7 -10.144   6.980  -4.444
  180   HE22  GLN   7          HE22      GLN   7 -11.141   7.497  -3.161
  181    H    LEU   8           HN       LEU   8  -6.024   2.974  -2.259
  182    HA   LEU   8           HA       LEU   8  -4.777   2.944   0.282
  183    HB2  LEU   8           HB2      LEU   8  -5.495   0.755  -1.638
  184    HB3  LEU   8           HB1      LEU   8  -4.800   0.458  -0.053
  185    HG   LEU   8           HG       LEU   8  -7.289   2.143  -0.410
  186   HD11  LEU   8          HD11      LEU   8  -7.074  -0.813   0.175
  187   HD12  LEU   8          HD12      LEU   8  -7.712  -0.117  -1.309
  188   HD13  LEU   8          HD13      LEU   8  -8.556   0.123   0.221
  189   HD21  LEU   8          HD21      LEU   8  -7.571   1.233   2.005
  190   HD22  LEU   8          HD22      LEU   8  -6.443   2.542   1.725
  191   HD23  LEU   8          HD23      LEU   8  -5.842   0.897   1.919
  192    H    CYS   9           HN       CYS   9  -3.657   2.234  -2.964
  193    HA   CYS   9           HA       CYS   9  -1.138   1.168  -2.284
  194    HB2  CYS   9           HB2      CYS   9  -2.439   2.230  -4.696
  195    HB3  CYS   9           HB1      CYS   9  -0.715   2.491  -4.706
  196    H    THR  10           HN       THR  10  -2.275   4.482  -2.659
  197    HA   THR  10           HA       THR  10   0.216   5.808  -2.627
  198    HB   THR  10           HB       THR  10  -2.424   6.715  -1.507
  199    HG1  THR  10           HG1      THR  10  -2.593   6.223  -3.680
  200   HG21  THR  10          HG21      THR  10  -0.645   8.114  -0.682
  201   HG22  THR  10          HG22      THR  10  -1.479   8.988  -1.966
  202   HG23  THR  10          HG23      THR  10   0.072   8.210  -2.290
  203    H    ALA  11           HN       ALA  11  -1.893   4.727   0.020
  204    HA   ALA  11           HA       ALA  11  -0.382   5.847   2.137
  205    HB1  ALA  11           HB1      ALA  11  -1.626   4.390   3.569
  206    HB2  ALA  11           HB2      ALA  11  -1.930   3.251   2.256
  207    HB3  ALA  11           HB3      ALA  11  -2.717   4.830   2.255
  208    H    ALA  12           HN       ALA  12  -0.261   2.637   0.565
  209    HA   ALA  12           HA       ALA  12   1.862   1.619   2.182
  210    HB1  ALA  12           HB1      ALA  12   1.317   0.724  -0.638
  211    HB2  ALA  12           HB2      ALA  12   0.201   0.336   0.662
  212    HB3  ALA  12           HB3      ALA  12   1.868  -0.228   0.739
  213    H    GLU  13           HN       GLU  13   1.743   3.209  -0.989
  214    HA   GLU  13           HA       GLU  13   4.511   3.013  -1.559
  215    HB2  GLU  13           HB2      GLU  13   2.831   3.509  -3.285
  216    HB3  GLU  13           HB1      GLU  13   2.481   5.070  -2.507
  217    HG2  GLU  13           HG2      GLU  13   4.794   5.801  -2.902
  218    HG3  GLU  13           HG1      GLU  13   5.214   4.224  -3.567
  219    H    LYS  14           HN       LYS  14   2.553   5.548  -0.037
  220    HA   LYS  14           HA       LYS  14   4.637   7.416   0.327
  221    HB2  LYS  14           HB2      LYS  14   2.269   8.030   0.489
  222    HB3  LYS  14           HB1      LYS  14   2.102   7.035   1.929
  223    HG2  LYS  14           HG2      LYS  14   3.783   8.443   3.097
  224    HG3  LYS  14           HG1      LYS  14   3.982   9.411   1.632
  225    HD2  LYS  14           HD2      LYS  14   1.603  10.062   1.754
  226    HD3  LYS  14           HD1      LYS  14   1.417   9.098   3.219
  227    HE2  LYS  14           HE2      LYS  14   3.108  10.486   4.356
  228    HE3  LYS  14           HE1      LYS  14   3.307  11.448   2.891
  229    HZ1  LYS  14           HZ1      LYS  14   0.916  11.236   4.624
  230    HZ2  LYS  14           HZ2      LYS  14   0.844  11.881   3.054
  231    HZ3  LYS  14           HZ3      LYS  14   1.809  12.625   4.238
  232    H    ALA  15           HN       ALA  15   3.350   4.836   2.390
  233    HA   ALA  15           HA       ALA  15   4.908   5.374   4.665
  234    HB1  ALA  15           HB1      ALA  15   3.896   2.690   3.709
  235    HB2  ALA  15           HB2      ALA  15   2.944   3.850   4.636
  236    HB3  ALA  15           HB3      ALA  15   4.370   3.102   5.357
  237    H    ASP  16           HN       ASP  16   5.544   3.452   1.790
  238    HA   ASP  16           HA       ASP  16   7.929   2.216   2.639
  239    HB2  ASP  16           HB2      ASP  16   6.697   1.549   0.603
  240    HB3  ASP  16           HB1      ASP  16   7.148   3.075  -0.161
  241    H    GLU  17           HN       GLU  17   7.348   5.323   0.999
  242    HA   GLU  17           HA       GLU  17  10.056   6.024   0.665
  243    HB2  GLU  17           HB2      GLU  17   8.047   7.107  -0.452
  244    HB3  GLU  17           HB1      GLU  17   7.753   7.948   1.072
  245    HG2  GLU  17           HG2      GLU  17  10.434   8.055  -0.321
  246    HG3  GLU  17           HG1      GLU  17   9.148   9.199  -0.688
  247    H    LEU  18           HN       LEU  18   7.743   6.598   3.285
  248    HA   LEU  18           HA       LEU  18   9.355   8.305   4.843
  249    HB2  LEU  18           HB2      LEU  18   7.140   6.410   5.596
  250    HB3  LEU  18           HB1      LEU  18   7.893   7.515   6.739
  251    HG   LEU  18           HG       LEU  18   6.635   8.399   4.121
  252   HD11  LEU  18          HD11      LEU  18   5.479   8.701   6.892
  253   HD12  LEU  18          HD12      LEU  18   5.031   7.382   5.820
  254   HD13  LEU  18          HD13      LEU  18   4.694   9.046   5.356
  255   HD21  LEU  18          HD21      LEU  18   7.972   9.793   6.435
  256   HD22  LEU  18          HD22      LEU  18   6.627  10.603   5.644
  257   HD23  LEU  18          HD23      LEU  18   8.040  10.151   4.712
  258    H    GLY  19           HN       GLY  19   9.033   4.794   4.757
  259    HA2  GLY  19           HA2      GLY  19  11.121   3.522   5.114
  260    HA3  GLY  19           HA1      GLY  19  11.465   4.589   6.468
  261   HB11  B74 100          HB11      0AA 100   1.978  -4.855  -2.600
  262   HB12  B74 100          HB12      0AA 100   0.334  -4.211  -2.542
  263    HG   B74 100           HG       0AA 100   0.396  -1.496  -3.027
  264    HE1  B74 100           HE1      0AA 100   2.811  -4.588  -4.787
  265    HE2  B74 100           HE2      0AA 100   1.889  -1.036  -7.040
  266    HZ   B74 100           HZ       0AA 100   2.939  -3.284  -6.901
  267   HB21  B74 100          HB21      0AA 100   0.615   0.680  -6.089
  268   HB22  B74 100          HB22      0AA 100   0.995   0.953  -4.387


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