*HEADER    TOXIN                                   03-JUN-03   1PJV              
*TITLE     COBATOXIN 1 FROM CENTRUROIDES NOXIUS SCORPION VENOM:                  
*TITLE    2 CHEMICAL SYNTHESIS, 3-D STRUCTURE IN SOLUTION,                       
*TITLE    3 PHARMACOLOGY AND DOCKING ON K+ CHANNELS                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: COBATOXIN 1;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: COTX1, GTIX;                                                
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PROTEIN IS NATURALLY FOUND IN CENTRUROIDES           
*SOURCE   5 NOXIUS (MEXICAN SCORPION)                                            
*KEYWDS    COBATOXIN 1, SCORPION TOXIN, CENTUROIDES NOXIUS, K+ CHANNEL,          
*KEYWDS   2 CHEMICAL SYNTHESIS, 3-D STRUCTURE, 1H-NMR SPECTROSCOPY,              
*KEYWDS   3 CIRCULAR DICHROISM, MOLECULAR MODELING, DOCKING EXPERIMENT           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.MOSBAH, B.JOUIROU, V.VISAN, S.GRISSMER, M.EL AYEB,                  
*AUTHOR   2 H.ROCHAT, M.DE WAARD, K.MABROUK, J.M.SABATIER                        
*REVDAT   1   09-MAR-04 1PJV    0                                                
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 assign (resid   23 and  name N    )(resid   26 and  name O    ) 3.0 1.2 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HA   ) 2.9 1.1 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HB   ) 2.8 1.0 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HG*  ) 4.7 2.9 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HG*  ) 6.3 4.5 0.0
 assign (resid   23 and  name HN   )(resid   23 and  name HD*  ) 7.0 5.2 0.0
 assign (resid   23 and  name HN   )(resid   26 and  name HN   ) 3.4 1.6 0.0
 assign (resid   23 and  name HN   )(resid   26 and  name O    ) 2.0 0.2 0.0
 assign (resid   23 and  name HN   )(resid   27 and  name HA   ) 3.4 1.6 0.0
 assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 2.4 0.6 0.0
 assign (resid   23 and  name HG*  )(resid   23 and  name HD*  ) 4.2 2.4 0.0
 assign (resid   23 and  name HG*  )(resid   30 and  name CZ   ) 9.0 7.2 0.0
 assign (resid   23 and  name O    )(resid   26 and  name N    ) 3.0 1.2 0.0
 assign (resid   23 and  name O    )(resid   26 and  name HN   ) 2.0 0.2 0.0
 assign (resid   24 and  name HN   )(resid   24 and  name HB*  ) 3.7 1.9 0.0
 assign (resid   24 and  name HN   )(resid   25 and  name HN   ) 3.3 1.5 0.0
 assign (resid   24 and  name HA   )(resid   24 and  name HB*  ) 2.7 0.9 0.0
 assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 3.3 1.5 0.0
 assign (resid   24 and  name HB1  )(resid   25 and  name HN   ) 4.3 2.5 0.0
 assign (resid   24 and  name HB2  )(resid   25 and  name HN   ) 4.3 2.5 0.0
 assign (resid   25 and  name HN   )(resid   25 and  name HA   ) 2.9 1.1 0.0
 assign (resid   25 and  name HN   )(resid   25 and  name HB*  ) 3.6 1.8 0.0
 assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 3.1 1.3 0.0
 assign (resid   25 and  name HA   )(resid   25 and  name HB1  ) 2.9 1.1 0.0
 assign (resid   25 and  name HA   )(resid   25 and  name HB2  ) 2.9 1.1 0.0
 assign (resid   25 and  name HA   )(resid   26 and  name HN   ) 3.1 1.3 0.0
 assign (resid   26 and  name HN   )(resid   26 and  name HB*  ) 3.4 1.6 0.0
 assign (resid   26 and  name HA   )(resid   27 and  name HN   ) 3.3 1.5 0.0
 assign (resid   27 and  name HN   )(resid   27 and  name HB1  ) 2.8 1.0 0.0
 assign (resid   27 and  name HN   )(resid   27 and  name HB2  ) 2.8 1.0 0.0
 assign (resid   27 and  name HN   )(resid   28 and  name HN   ) 6.0 4.2 0.0
 assign (resid   27 and  name HB*  )(resid   28 and  name HN   ) 6.9 5.1 0.0
 assign (resid   28 and  name HN   )(resid   28 and  name HB1  ) 3.5 1.7 0.0
 assign (resid   28 and  name HN   )(resid   28 and  name HB2  ) 3.5 1.7 0.0
 assign (resid   28 and  name HN   )(resid   28 and  name HG*  ) 7.0 5.2 0.0
 assign (resid   28 and  name HN   )(resid   28 and  name HD*  ) 7.0 5.2 0.0
 assign (resid   28 and  name HN   )(resid   28 and  name HE*  ) 6.9 5.1 0.0
 assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 4.6 2.8 0.0
 assign (resid   28 and  name HA   )(resid   28 and  name HD*  ) 6.6 4.8 0.0
 assign (resid   28 and  name HA   )(resid   28 and  name HE1  ) 5.6 3.8 0.0
 assign (resid   28 and  name HA   )(resid   28 and  name HE2  ) 5.6 3.8 0.0
 assign (resid   28 and  name HA   )(resid   28 and  name HE*  ) 5.1 3.3 0.0
 assign (resid   28 and  name HA   )(resid   29 and  name HN   ) 2.4 0.6 0.0
 assign (resid   28 and  name HB*  )(resid   28 and  name NZ   ) 6.0 4.2 0.0
 assign (resid   28 and  name HD*  )(resid   29 and  name HN   ) 7.0 5.2 0.0
 assign (resid   28 and  name HD*  )(resid   30 and  name CZ   ) 9.0 7.2 0.0
 assign (resid   29 and  name HN   )(resid   29 and  name HB*  ) 3.5 1.7 0.0
 assign (resid   29 and  name HA   )(resid   29 and  name HB1  ) 2.8 1.0 0.0
 assign (resid   29 and  name HA   )(resid   29 and  name HB2  ) 2.8 1.0 0.0
 assign (resid   29 and  name HA   )(resid   30 and  name HN   ) 2.4 0.6 0.0
 assign (resid   29 and  name HA   )(resid   30 and  name CG   ) 8.0 6.2 0.0
 assign (resid   29 and  name HB*  )(resid   30 and  name HN   ) 3.7 1.9 0.0
 assign (resid   30 and  name HN   )(resid   30 and  name HB1  ) 3.9 2.1 0.0
 assign (resid   30 and  name HN   )(resid   30 and  name HB2  ) 3.9 2.1 0.0
 assign (resid   30 and  name HN   )(resid   30 and  name HB*  ) 3.3 1.5 0.0
 assign (resid   31 and  name HB1  )(resid   32 and  name HN   ) 3.8 2.0 0.0
 assign (resid   31 and  name HB2  )(resid   32 and  name HN   ) 3.8 2.0 0.0
 assign (resid   31 and  name HB*  )(resid   32 and  name HN   ) 3.5 1.7 0.0
 assign (resid   32 and  name HN   )(resid   32 and  name HB1  ) 3.5 1.7 0.0
 assign (resid   32 and  name HN   )(resid   32 and  name HB2  ) 3.5 1.7 0.0
 assign (resid   32 and  name HN   )(resid   32 and  name HB*  ) 2.9 1.1 0.0
 assign (resid   32 and  name HA   )(resid   32 and  name HB1  ) 3.0 1.2 0.0
 assign (resid   32 and  name HA   )(resid   32 and  name HB2  ) 3.0 1.2 0.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1           HT1      ALA   1 -13.568   4.279  10.753
    2   2H    ALA   1           HT2      ALA   1 -13.784   5.858  10.117
    3   3H    ALA   1           HT3      ALA   1 -12.257   5.383  10.740
    4    HA   ALA   1           HA       ALA   1 -13.620   4.374   8.339
    5   1HB   ALA   1          HB1       ALA   1 -12.609   6.454   7.873
    6   2HB   ALA   1          HB2       ALA   1 -11.485   5.230   7.282
    7   3HB   ALA   1          HB3       ALA   1 -11.170   6.052   8.810
    8    H    VAL   2           HN       VAL   2 -12.117   2.972   7.044
    9    HA   VAL   2           HA       VAL   2 -10.534   1.223   8.816
   10    HB   VAL   2           HB       VAL   2 -11.756   0.008   6.406
   11   1HG1  VAL   2          HG11      VAL   2 -10.809  -0.794   9.084
   12   2HG1  VAL   2          HG12      VAL   2 -10.637  -1.603   7.526
   13   3HG1  VAL   2          HG13      VAL   2 -12.154  -1.718   8.417
   14   1HG2  VAL   2          HG21      VAL   2 -13.776   0.920   6.989
   15   2HG2  VAL   2          HG22      VAL   2 -13.348   1.054   8.695
   16   3HG2  VAL   2          HG23      VAL   2 -13.782  -0.514   8.016
   17    H    CYS   3           HN       CYS   3  -9.062  -0.232   7.515
   18    HA   CYS   3           HA       CYS   3  -7.282   1.397   6.022
   19   1HB   CYS   3          HB2       CYS   3  -6.468  -0.443   7.400
   20   2HB   CYS   3          HB1       CYS   3  -7.339  -1.603   6.405
   21    H    VAL   4           HN       VAL   4  -7.419   1.943   3.956
   22    HA   VAL   4           HA       VAL   4  -9.078   0.322   2.162
   23    HB   VAL   4           HB       VAL   4  -7.921   3.028   1.524
   24   1HG1  VAL   4          HG11      VAL   4  -9.494   1.128   0.103
   25   2HG1  VAL   4          HG12      VAL   4  -8.922   2.707  -0.432
   26   3HG1  VAL   4          HG13      VAL   4 -10.476   2.565   0.388
   27   1HG2  VAL   4          HG21      VAL   4 -10.628   2.508   2.746
   28   2HG2  VAL   4          HG22      VAL   4  -9.928   4.071   2.327
   29   3HG2  VAL   4          HG23      VAL   4  -9.234   3.117   3.638
   30    H    TYR   5           HN       TYR   5  -8.089  -1.097   0.912
   31    HA   TYR   5           HA       TYR   5  -5.316  -1.303   0.592
   32   1HB   TYR   5          HB2       TYR   5  -7.301  -3.009   0.193
   33   2HB   TYR   5          HB1       TYR   5  -7.121  -2.455  -1.465
   34    HD1  TYR   5           HD1      TYR   5  -4.841  -2.674  -2.567
   35    HD2  TYR   5           HD2      TYR   5  -5.834  -4.610   1.089
   36    HE1  TYR   5           HE1      TYR   5  -2.973  -4.238  -2.895
   37    HE2  TYR   5           HE2      TYR   5  -3.967  -6.178   0.773
   38    HH   TYR   5           HH       TYR   5  -1.922  -6.395  -0.412
   39    H    ARG   6           HN       ARG   6  -7.792   0.024  -1.568
   40    HA   ARG   6           HA       ARG   6  -6.068   0.565  -3.725
   41   1HB   ARG   6          HB2       ARG   6  -8.719   0.573  -3.455
   42   2HB   ARG   6          HB1       ARG   6  -8.426   2.296  -3.288
   43   1HG   ARG   6          HG2       ARG   6  -6.924   1.681  -5.481
   44   2HG   ARG   6          HG1       ARG   6  -8.303   0.593  -5.652
   45   1HD   ARG   6          HD2       ARG   6  -8.770   3.464  -4.980
   46   2HD   ARG   6          HD1       ARG   6  -8.384   3.017  -6.642
   47    HE   ARG   6           HE       ARG   6 -10.504   1.458  -5.482
   48   1HH1  ARG   6          HH11      ARG   6  -9.717   4.397  -7.191
   49   2HH1  ARG   6          HH12      ARG   6 -11.303   4.579  -7.863
   50   1HH2  ARG   6          HH21      ARG   6 -12.590   1.695  -6.365
   51   2HH2  ARG   6          HH22      ARG   6 -12.934   3.045  -7.393
   52    H    THR   7           HN       THR   7  -7.015   2.481  -0.918
   53    HA   THR   7           HA       THR   7  -5.750   4.875  -1.850
   54    HB   THR   7           HB       THR   7  -6.442   4.232   1.012
   55    HG1  THR   7           HG1      THR   7  -8.511   4.985   0.559
   56   1HG2  THR   7          HG21      THR   7  -5.400   6.297   1.004
   57   2HG2  THR   7          HG22      THR   7  -7.112   6.706   0.905
   58   3HG2  THR   7          HG23      THR   7  -6.108   6.760  -0.543
   59    H    CYS   8           HN       CYS   8  -4.930   2.284   0.393
   60    HA   CYS   8           HA       CYS   8  -2.429   3.409   1.176
   61   1HB   CYS   8          HB2       CYS   8  -3.834   1.626   2.397
   62   2HB   CYS   8          HB1       CYS   8  -3.097   0.476   1.288
   63    H    ASP   9           HN       ASP   9  -3.497   1.251  -1.361
   64    HA   ASP   9           HA       ASP   9  -0.930   0.384  -2.186
   65   1HB   ASP   9          HB2       ASP   9  -2.996  -0.828  -2.775
   66   2HB   ASP   9          HB1       ASP   9  -3.502   0.532  -3.773
   67    H    LYS  10           HN       LYS  10  -3.151   2.870  -3.447
   68    HA   LYS  10           HA       LYS  10  -1.455   3.803  -5.476
   69   1HB   LYS  10          HB2       LYS  10  -3.985   4.503  -4.391
   70   2HB   LYS  10          HB1       LYS  10  -3.020   5.965  -4.510
   71   1HG   LYS  10          HG2       LYS  10  -2.969   4.211  -6.870
   72   2HG   LYS  10          HG1       LYS  10  -4.517   4.981  -6.513
   73   1HD   LYS  10          HD2       LYS  10  -2.756   7.049  -6.182
   74   2HD   LYS  10          HD1       LYS  10  -2.018   6.142  -7.504
   75   1HE   LYS  10          HE2       LYS  10  -3.426   7.584  -8.633
   76   2HE   LYS  10          HE1       LYS  10  -4.418   6.133  -8.493
   77   1HZ   LYS  10          HZ1       LYS  10  -5.264   8.551  -7.808
   78   2HZ   LYS  10          HZ2       LYS  10  -4.641   8.047  -6.319
   79   3HZ   LYS  10          HZ3       LYS  10  -5.841   7.134  -7.085
   80    H    ASP  11           HN       ASP  11  -1.966   5.011  -2.167
   81    HA   ASP  11           HA       ASP  11  -0.178   7.144  -2.255
   82   1HB   ASP  11          HB2       ASP  11  -1.841   6.156  -0.369
   83   2HB   ASP  11          HB1       ASP  11  -0.294   5.626   0.272
   84    H    CYS  12           HN       CYS  12   0.367   3.811  -1.156
   85    HA   CYS  12           HA       CYS  12   3.084   4.038  -0.570
   86   1HB   CYS  12          HB2       CYS  12   1.581   2.089  -0.024
   87   2HB   CYS  12          HB1       CYS  12   1.739   1.578  -1.701
   88    H    LYS  13           HN       LYS  13   1.468   3.194  -3.613
   89    HA   LYS  13           HA       LYS  13   3.752   2.623  -5.122
   90   1HB   LYS  13          HB2       LYS  13   0.988   2.828  -5.586
   91   2HB   LYS  13          HB1       LYS  13   1.738   3.942  -6.720
   92   1HG   LYS  13          HG2       LYS  13   2.393   2.277  -8.024
   93   2HG   LYS  13          HG1       LYS  13   3.171   1.451  -6.673
   94   1HD   LYS  13          HD2       LYS  13   1.449   0.032  -6.394
   95   2HD   LYS  13          HD1       LYS  13   0.243   1.293  -6.661
   96   1HE   LYS  13          HE2       LYS  13   0.035  -0.312  -8.420
   97   2HE   LYS  13          HE1       LYS  13   0.740   1.153  -9.100
   98   1HZ   LYS  13          HZ1       LYS  13   1.730  -1.277  -9.508
   99   2HZ   LYS  13          HZ2       LYS  13   2.625  -0.839  -8.142
  100   3HZ   LYS  13          HZ3       LYS  13   2.679   0.124  -9.532
  101    H    ARG  14           HN       ARG  14   2.152   5.681  -4.405
  102    HA   ARG  14           HA       ARG  14   4.079   7.139  -6.033
  103   1HB   ARG  14          HB2       ARG  14   1.425   7.685  -4.914
  104   2HB   ARG  14          HB1       ARG  14   2.536   9.042  -4.790
  105   1HG   ARG  14          HG2       ARG  14   2.984   8.426  -7.328
  106   2HG   ARG  14          HG1       ARG  14   1.353   7.767  -7.189
  107   1HD   ARG  14          HD2       ARG  14   1.854  10.490  -6.112
  108   2HD   ARG  14          HD1       ARG  14   1.801  10.293  -7.863
  109    HE   ARG  14           HE       ARG  14  -0.421   9.086  -6.500
  110   1HH1  ARG  14          HH11      ARG  14   0.819  12.038  -7.887
  111   2HH1  ARG  14          HH12      ARG  14  -0.751  12.720  -8.152
  112   1HH2  ARG  14          HH21      ARG  14  -2.486   9.981  -6.848
  113   2HH2  ARG  14          HH22      ARG  14  -2.627  11.553  -7.561
  114    H    ARG  15           HN       ARG  15   4.346   5.796  -3.143
  115    HA   ARG  15           HA       ARG  15   5.566   8.118  -1.837
  116   1HB   ARG  15          HB2       ARG  15   3.826   6.520  -0.708
  117   2HB   ARG  15          HB1       ARG  15   5.216   5.467  -0.491
  118   1HG   ARG  15          HG2       ARG  15   6.109   6.758   1.117
  119   2HG   ARG  15          HG1       ARG  15   5.608   8.261   0.337
  120   1HD   ARG  15          HD2       ARG  15   3.207   7.291   1.045
  121   2HD   ARG  15          HD1       ARG  15   4.200   6.583   2.319
  122    HE   ARG  15           HE       ARG  15   4.840   9.302   2.084
  123   1HH1  ARG  15          HH11      ARG  15   2.198   7.265   3.110
  124   2HH1  ARG  15          HH12      ARG  15   1.587   8.417   4.249
  125   1HH2  ARG  15          HH21      ARG  15   4.038  10.819   3.582
  126   2HH2  ARG  15          HH22      ARG  15   2.631  10.435   4.517
  127    H    GLY  16           HN       GLY  16   6.761   6.577  -4.069
  128   1HA   GLY  16          HA2       GLY  16   8.923   6.035  -4.638
  129   2HA   GLY  16          HA1       GLY  16   9.384   6.350  -2.975
  130    H    TYR  17           HN       TYR  17   6.859   4.079  -3.762
  131    HA   TYR  17           HA       TYR  17   8.702   1.849  -3.237
  132   1HB   TYR  17          HB2       TYR  17   5.978   2.277  -1.996
  133   2HB   TYR  17          HB1       TYR  17   6.869   0.760  -1.913
  134    HD1  TYR  17           HD1      TYR  17   6.717   4.228  -0.738
  135    HD2  TYR  17           HD2      TYR  17   8.818   0.539  -0.489
  136    HE1  TYR  17           HE1      TYR  17   7.886   5.037   1.268
  137    HE2  TYR  17           HE2      TYR  17   9.993   1.336   1.519
  138    HH   TYR  17           HH       TYR  17   9.975   4.582   2.492
  139    H    ARG  18           HN       ARG  18   7.656  -0.298  -3.811
  140    HA   ARG  18           HA       ARG  18   6.710  -0.127  -6.509
  141   1HB   ARG  18          HB2       ARG  18   8.007  -2.057  -4.923
  142   2HB   ARG  18          HB1       ARG  18   6.473  -2.776  -5.392
  143   1HG   ARG  18          HG2       ARG  18   8.140  -1.444  -7.469
  144   2HG   ARG  18          HG1       ARG  18   8.596  -3.047  -6.890
  145   1HD   ARG  18          HD2       ARG  18   5.750  -2.717  -7.549
  146   2HD   ARG  18          HD1       ARG  18   6.855  -2.580  -8.917
  147    HE   ARG  18           HE       ARG  18   6.183  -4.957  -7.479
  148   1HH1  ARG  18          HH11      ARG  18   8.697  -3.399  -9.330
  149   2HH1  ARG  18          HH12      ARG  18   9.434  -4.888  -9.818
  150   1HH2  ARG  18          HH21      ARG  18   7.149  -6.917  -8.121
  151   2HH2  ARG  18          HH22      ARG  18   8.554  -6.885  -9.132
  152    H    SER  19           HN       SER  19   5.317  -1.248  -3.439
  153    HA   SER  19           HA       SER  19   2.722  -0.373  -4.040
  154   1HB   SER  19          HB2       SER  19   2.654  -2.147  -5.692
  155   2HB   SER  19          HB1       SER  19   3.198  -3.327  -4.501
  156    HG   SER  19           HG       SER  19   0.720  -2.617  -5.055
  157    H    GLY  20           HN       GLY  20   1.084  -1.294  -2.458
  158   1HA   GLY  20          HA2       GLY  20   2.450  -2.146   0.019
  159   2HA   GLY  20          HA1       GLY  20   1.229  -0.883   0.023
  160    H    LYS  21           HN       LYS  21   1.094  -3.195   1.602
  161    HA   LYS  21           HA       LYS  21  -1.389  -4.348   0.560
  162   1HB   LYS  21          HB2       LYS  21   0.791  -6.029   1.809
  163   2HB   LYS  21          HB1       LYS  21  -0.745  -6.599   1.172
  164   1HG   LYS  21          HG2       LYS  21  -0.080  -6.001  -1.072
  165   2HG   LYS  21          HG1       LYS  21   1.427  -5.310  -0.467
  166   1HD   LYS  21          HD2       LYS  21   2.251  -7.432   0.178
  167   2HD   LYS  21          HD1       LYS  21   0.668  -8.187  -0.020
  168   1HE   LYS  21          HE2       LYS  21   2.099  -6.911  -2.328
  169   2HE   LYS  21          HE1       LYS  21   2.437  -8.572  -1.844
  170   1HZ   LYS  21          HZ1       LYS  21   0.314  -7.606  -3.406
  171   2HZ   LYS  21          HZ2       LYS  21  -0.334  -8.281  -1.997
  172   3HZ   LYS  21          HZ3       LYS  21   0.673  -9.207  -2.993
  173    H    CYS  22           HN       CYS  22  -2.946  -4.636   2.080
  174    HA   CYS  22           HA       CYS  22  -2.231  -3.896   4.833
  175   1HB   CYS  22          HB2       CYS  22  -3.923  -2.513   3.489
  176   2HB   CYS  22          HB1       CYS  22  -5.018  -3.876   3.693
  177    H    ILE  23           HN       ILE  23  -1.930  -5.633   6.055
  178    HA   ILE  23           HA       ILE  23  -4.011  -7.690   6.079
  179    HB   ILE  23           HB       ILE  23  -1.063  -8.320   6.173
  180   1HG1  ILE  23          HG12      ILE  23  -1.799  -7.576   3.925
  181   2HG1  ILE  23          HG11      ILE  23  -1.320  -9.270   3.951
  182   1HG2  ILE  23          HG21      ILE  23  -1.916 -10.097   7.277
  183   2HG2  ILE  23          HG22      ILE  23  -2.276 -10.657   5.644
  184   3HG2  ILE  23          HG23      ILE  23  -3.532  -9.877   6.606
  185   1HD1  ILE  23          HD11      ILE  23  -3.500 -10.017   3.712
  186   2HD1  ILE  23          HD12      ILE  23  -3.436  -8.599   2.666
  187   3HD1  ILE  23          HD13      ILE  23  -4.188  -8.488   4.257
  188    H    ASN  24           HN       ASN  24  -4.336  -8.694   8.083
  189    HA   ASN  24           HA       ASN  24  -4.498  -8.753  10.354
  190   1HB   ASN  24          HB2       ASN  24  -1.564  -8.345   9.915
  191   2HB   ASN  24          HB1       ASN  24  -2.225  -8.377  11.545
  192   1HD2  ASN  24          HD21      ASN  24  -0.995 -10.210   9.060
  193   2HD2  ASN  24          HD22      ASN  24  -1.507 -11.771   9.597
  194    H    ASN  25           HN       ASN  25  -5.073  -6.252   9.051
  195    HA   ASN  25           HA       ASN  25  -5.675  -4.134   9.623
  196   1HB   ASN  25          HB2       ASN  25  -5.387  -5.508  12.165
  197   2HB   ASN  25          HB1       ASN  25  -4.991  -3.799  12.311
  198   1HD2  ASN  25          HD21      ASN  25  -7.234  -5.225  13.425
  199   2HD2  ASN  25          HD22      ASN  25  -8.659  -4.478  12.795
  200    H    ALA  26           HN       ALA  26  -2.940  -4.833   8.772
  201    HA   ALA  26           HA       ALA  26  -1.677  -2.311   9.540
  202   1HB   ALA  26          HB1       ALA  26   0.492  -3.389   9.903
  203   2HB   ALA  26          HB2       ALA  26  -0.258  -4.970   9.684
  204   3HB   ALA  26          HB3       ALA  26  -0.715  -3.959  11.055
  205    H    CYS  27           HN       CYS  27  -1.101  -1.259   7.755
  206    HA   CYS  27           HA       CYS  27  -0.921  -2.708   5.243
  207   1HB   CYS  27          HB2       CYS  27  -2.142  -0.421   5.732
  208   2HB   CYS  27          HB1       CYS  27  -0.541   0.246   5.432
  209    H    LYS  28           HN       LYS  28   0.972  -3.595   4.788
  210    HA   LYS  28           HA       LYS  28   3.436  -2.202   5.552
  211   1HB   LYS  28          HB2       LYS  28   2.744  -4.837   5.791
  212   2HB   LYS  28          HB1       LYS  28   3.663  -4.851   4.292
  213   1HG   LYS  28          HG2       LYS  28   5.488  -3.637   5.537
  214   2HG   LYS  28          HG1       LYS  28   4.582  -3.974   7.014
  215   1HD   LYS  28          HD2       LYS  28   4.951  -6.323   5.319
  216   2HD   LYS  28          HD1       LYS  28   6.469  -5.617   5.876
  217   1HE   LYS  28          HE2       LYS  28   5.388  -5.598   8.198
  218   2HE   LYS  28          HE1       LYS  28   4.186  -6.687   7.507
  219   1HZ   LYS  28          HZ1       LYS  28   7.085  -7.147   7.865
  220   2HZ   LYS  28          HZ2       LYS  28   6.166  -8.082   6.797
  221   3HZ   LYS  28          HZ3       LYS  28   5.792  -8.072   8.446
  222    H    CYS  29           HN       CYS  29   4.594  -1.132   4.094
  223    HA   CYS  29           HA       CYS  29   3.791  -1.128   1.334
  224   1HB   CYS  29          HB2       CYS  29   5.442   0.519   3.076
  225   2HB   CYS  29          HB1       CYS  29   6.072   0.388   1.441
  226    H    TYR  30           HN       TYR  30   5.419  -1.303  -0.430
  227    HA   TYR  30           HA       TYR  30   7.626  -3.130   0.164
  228   1HB   TYR  30          HB2       TYR  30   5.546  -3.663  -1.966
  229   2HB   TYR  30          HB1       TYR  30   6.994  -4.622  -1.680
  230    HD1  TYR  30           HD1      TYR  30   7.107  -6.187   0.142
  231    HD2  TYR  30           HD2      TYR  30   3.681  -3.718  -0.368
  232    HE1  TYR  30           HE1      TYR  30   5.873  -7.577   1.752
  233    HE2  TYR  30           HE2      TYR  30   2.438  -5.099   1.241
  234    HH   TYR  30           HH       TYR  30   2.894  -7.873   2.022
  235    HA   PRO  31           HA       PRO  31   9.241   0.038  -2.652
  236   1HB   PRO  31          HB2       PRO  31  11.858  -0.475  -2.155
  237   2HB   PRO  31          HB1       PRO  31  10.851   0.502  -1.080
  238   1HG   PRO  31          HG2       PRO  31  11.629  -2.380  -0.846
  239   2HG   PRO  31          HG1       PRO  31  11.579  -1.130   0.410
  240   1HD   PRO  31          HD2       PRO  31   9.615  -2.967   0.109
  241   2HD   PRO  31          HD1       PRO  31   9.298  -1.318   0.685
  242    H    TYR  32           HN       TYR  32  10.925  -0.063  -4.425
  243    HA   TYR  32           HA       TYR  32  10.319  -2.134  -6.209
  244   1HB   TYR  32          HB2       TYR  32  11.458   0.305  -6.467
  245   2HB   TYR  32          HB1       TYR  32  12.886  -0.714  -6.614
  246    HD1  TYR  32           HD1      TYR  32  12.870  -2.546  -8.383
  247    HD2  TYR  32           HD2      TYR  32   9.997   0.590  -8.280
  248    HE1  TYR  32           HE1      TYR  32  12.324  -2.977 -10.741
  249    HE2  TYR  32           HE2      TYR  32   9.442   0.167 -10.638
  250    HH   TYR  32           HH       TYR  32  10.545  -0.842 -12.637
  Start of MODEL    2
    1   1H    ALA   1           HT1      ALA   1 -15.422   2.701   9.193
    2   2H    ALA   1           HT2      ALA   1 -15.782   4.308   8.709
    3   3H    ALA   1           HT3      ALA   1 -14.595   4.018   9.913
    4    HA   ALA   1           HA       ALA   1 -14.481   3.372   7.050
    5   1HB   ALA   1          HB1       ALA   1 -12.908   5.209   8.846
    6   2HB   ALA   1          HB2       ALA   1 -13.945   5.654   7.490
    7   3HB   ALA   1          HB3       ALA   1 -12.432   4.797   7.198
    8    H    VAL   2           HN       VAL   2 -12.560   2.289   6.351
    9    HA   VAL   2           HA       VAL   2 -11.030   0.887   8.414
   10    HB   VAL   2           HB       VAL   2 -11.790  -0.837   6.147
   11   1HG1  VAL   2          HG11      VAL   2 -12.116  -2.398   8.192
   12   2HG1  VAL   2          HG12      VAL   2 -11.314  -1.106   9.085
   13   3HG1  VAL   2          HG13      VAL   2 -10.489  -1.891   7.738
   14   1HG2  VAL   2          HG21      VAL   2 -13.812   0.093   8.166
   15   2HG2  VAL   2          HG22      VAL   2 -13.937  -1.480   7.378
   16   3HG2  VAL   2          HG23      VAL   2 -13.970  -0.005   6.412
   17    H    CYS   3           HN       CYS   3  -9.206  -0.370   7.421
   18    HA   CYS   3           HA       CYS   3  -7.587   1.330   5.903
   19   1HB   CYS   3          HB2       CYS   3  -6.588  -0.308   7.343
   20   2HB   CYS   3          HB1       CYS   3  -7.374  -1.626   6.484
   21    H    VAL   4           HN       VAL   4  -7.681   1.818   3.823
   22    HA   VAL   4           HA       VAL   4  -9.046   0.005   1.976
   23    HB   VAL   4           HB       VAL   4  -8.026   2.752   1.294
   24   1HG1  VAL   4          HG11      VAL   4  -8.744   1.974  -0.695
   25   2HG1  VAL   4          HG12      VAL   4 -10.338   2.385  -0.066
   26   3HG1  VAL   4          HG13      VAL   4  -9.750   0.726   0.040
   27   1HG2  VAL   4          HG21      VAL   4 -10.151   3.698   1.934
   28   2HG2  VAL   4          HG22      VAL   4  -9.432   2.892   3.329
   29   3HG2  VAL   4          HG23      VAL   4 -10.742   2.115   2.440
   30    H    TYR   5           HN       TYR   5  -7.829  -1.419   0.945
   31    HA   TYR   5           HA       TYR   5  -5.073  -1.500   0.863
   32   1HB   TYR   5          HB2       TYR   5  -6.493  -3.431   0.407
   33   2HB   TYR   5          HB1       TYR   5  -7.000  -2.696  -1.104
   34    HD1  TYR   5           HD1      TYR   5  -4.606  -4.806   0.475
   35    HD2  TYR   5           HD2      TYR   5  -5.188  -2.236  -2.865
   36    HE1  TYR   5           HE1      TYR   5  -2.719  -5.883  -0.676
   37    HE2  TYR   5           HE2      TYR   5  -3.302  -3.305  -4.025
   38    HH   TYR   5           HH       TYR   5  -1.337  -4.596  -3.544
   39    H    ARG   6           HN       ARG   6  -7.239  -0.465  -1.770
   40    HA   ARG   6           HA       ARG   6  -5.212   0.242  -3.569
   41   1HB   ARG   6          HB2       ARG   6  -7.848  -0.011  -3.792
   42   2HB   ARG   6          HB1       ARG   6  -7.770   1.732  -3.617
   43   1HG   ARG   6          HG2       ARG   6  -5.811   0.858  -5.516
   44   2HG   ARG   6          HG1       ARG   6  -7.402   0.228  -5.945
   45   1HD   ARG   6          HD2       ARG   6  -8.342   2.406  -6.007
   46   2HD   ARG   6          HD1       ARG   6  -6.914   3.116  -5.255
   47    HE   ARG   6           HE       ARG   6  -5.896   3.169  -7.308
   48   1HH1  ARG   6          HH11      ARG   6  -8.714   1.118  -7.489
   49   2HH1  ARG   6          HH12      ARG   6  -8.642   0.960  -9.212
   50   1HH2  ARG   6          HH21      ARG   6  -5.800   2.962  -9.573
   51   2HH2  ARG   6          HH22      ARG   6  -6.987   2.006 -10.395
   52    H    THR   7           HN       THR   7  -6.845   2.146  -1.079
   53    HA   THR   7           HA       THR   7  -5.692   4.628  -1.877
   54    HB   THR   7           HB       THR   7  -6.631   4.066   0.919
   55    HG1  THR   7           HG1      THR   7  -8.339   4.571  -1.284
   56   1HG2  THR   7          HG21      THR   7  -6.474   6.438  -0.852
   57   2HG2  THR   7          HG22      THR   7  -6.117   6.278   0.868
   58   3HG2  THR   7          HG23      THR   7  -7.791   6.346   0.317
   59    H    CYS   8           HN       CYS   8  -4.869   2.113   0.415
   60    HA   CYS   8           HA       CYS   8  -2.697   3.500   1.632
   61   1HB   CYS   8          HB2       CYS   8  -3.974   1.464   2.536
   62   2HB   CYS   8          HB1       CYS   8  -2.967   0.500   1.462
   63    H    ASP   9           HN       ASP   9  -2.958   1.131  -0.977
   64    HA   ASP   9           HA       ASP   9  -0.217   0.819  -1.483
   65   1HB   ASP   9          HB2       ASP   9  -2.635  -0.131  -2.580
   66   2HB   ASP   9          HB1       ASP   9  -1.742   0.596  -3.909
   67    H    LYS  10           HN       LYS  10  -2.627   2.994  -2.924
   68    HA   LYS  10           HA       LYS  10  -0.847   4.228  -4.730
   69   1HB   LYS  10          HB2       LYS  10  -3.589   4.451  -4.032
   70   2HB   LYS  10          HB1       LYS  10  -2.890   6.061  -4.003
   71   1HG   LYS  10          HG2       LYS  10  -3.596   5.882  -6.182
   72   2HG   LYS  10          HG1       LYS  10  -1.903   5.399  -6.307
   73   1HD   LYS  10          HD2       LYS  10  -2.576   3.043  -6.222
   74   2HD   LYS  10          HD1       LYS  10  -4.267   3.532  -6.106
   75   1HE   LYS  10          HE2       LYS  10  -4.401   4.074  -8.300
   76   2HE   LYS  10          HE1       LYS  10  -2.737   4.655  -8.367
   77   1HZ   LYS  10          HZ1       LYS  10  -3.289   2.547  -9.638
   78   2HZ   LYS  10          HZ2       LYS  10  -3.367   1.776  -8.135
   79   3HZ   LYS  10          HZ3       LYS  10  -1.924   2.500  -8.639
   80    H    ASP  11           HN       ASP  11  -1.837   5.041  -1.435
   81    HA   ASP  11           HA       ASP  11  -0.623   7.549  -1.248
   82   1HB   ASP  11          HB2       ASP  11  -2.105   6.036   0.434
   83   2HB   ASP  11          HB1       ASP  11  -0.518   5.856   1.161
   84    H    CYS  12           HN       CYS  12   0.652   4.356  -0.335
   85    HA   CYS  12           HA       CYS  12   3.238   5.371   0.312
   86   1HB   CYS  12          HB2       CYS  12   2.138   3.215   1.158
   87   2HB   CYS  12          HB1       CYS  12   2.630   2.503  -0.375
   88    H    LYS  13           HN       LYS  13   1.865   3.758  -2.529
   89    HA   LYS  13           HA       LYS  13   4.197   3.353  -3.982
   90   1HB   LYS  13          HB2       LYS  13   1.334   3.762  -4.724
   91   2HB   LYS  13          HB1       LYS  13   2.543   3.792  -5.999
   92   1HG   LYS  13          HG2       LYS  13   2.967   1.578  -5.846
   93   2HG   LYS  13          HG1       LYS  13   2.685   1.532  -4.104
   94   1HD   LYS  13          HD2       LYS  13   0.719   0.583  -4.562
   95   2HD   LYS  13          HD1       LYS  13   0.203   2.155  -5.174
   96   1HE   LYS  13          HE2       LYS  13   1.767   0.624  -7.102
   97   2HE   LYS  13          HE1       LYS  13   0.285  -0.191  -6.608
   98   1HZ   LYS  13          HZ1       LYS  13  -0.599   1.076  -8.220
   99   2HZ   LYS  13          HZ2       LYS  13   0.635   2.232  -8.164
  100   3HZ   LYS  13          HZ3       LYS  13  -0.617   2.277  -7.027
  101    H    ARG  14           HN       ARG  14   2.170   6.240  -3.744
  102    HA   ARG  14           HA       ARG  14   3.525   7.748  -5.706
  103   1HB   ARG  14          HB2       ARG  14   1.441   8.189  -3.741
  104   2HB   ARG  14          HB1       ARG  14   2.522   9.572  -3.836
  105   1HG   ARG  14          HG2       ARG  14   1.209   8.317  -6.233
  106   2HG   ARG  14          HG1       ARG  14   0.531   9.678  -5.338
  107   1HD   ARG  14          HD2       ARG  14   3.157  10.424  -5.831
  108   2HD   ARG  14          HD1       ARG  14   2.650   9.626  -7.318
  109    HE   ARG  14           HE       ARG  14   1.263  11.392  -7.749
  110   1HH1  ARG  14          HH11      ARG  14   2.214  11.505  -4.394
  111   2HH1  ARG  14          HH12      ARG  14   1.500  13.058  -4.114
  112   1HH2  ARG  14          HH21      ARG  14   0.323  13.434  -7.385
  113   2HH2  ARG  14          HH22      ARG  14   0.426  14.153  -5.812
  114    H    ARG  15           HN       ARG  15   4.316   6.941  -2.447
  115    HA   ARG  15           HA       ARG  15   6.104   9.128  -1.983
  116   1HB   ARG  15          HB2       ARG  15   4.909   7.431  -0.318
  117   2HB   ARG  15          HB1       ARG  15   6.414   6.546  -0.526
  118   1HG   ARG  15          HG2       ARG  15   7.550   7.958   0.769
  119   2HG   ARG  15          HG1       ARG  15   6.831   9.377   0.005
  120   1HD   ARG  15          HD2       ARG  15   4.721   8.393   1.411
  121   2HD   ARG  15          HD1       ARG  15   6.069   7.956   2.459
  122    HE   ARG  15           HE       ARG  15   6.217  10.670   1.588
  123   1HH1  ARG  15          HH11      ARG  15   4.686   8.544   3.894
  124   2HH1  ARG  15          HH12      ARG  15   4.410   9.798   5.055
  125   1HH2  ARG  15          HH21      ARG  15   5.857  12.320   3.115
  126   2HH2  ARG  15          HH22      ARG  15   5.075  11.942   4.613
  127    H    GLY  16           HN       GLY  16   6.615   5.661  -2.647
  128   1HA   GLY  16          HA2       GLY  16   8.613   5.946  -4.533
  129   2HA   GLY  16          HA1       GLY  16   9.421   5.927  -2.974
  130    H    TYR  17           HN       TYR  17   6.536   4.133  -3.973
  131    HA   TYR  17           HA       TYR  17   8.088   1.644  -3.758
  132   1HB   TYR  17          HB2       TYR  17   5.375   2.179  -2.535
  133   2HB   TYR  17          HB1       TYR  17   6.147   0.599  -2.607
  134    HD1  TYR  17           HD1      TYR  17   6.629   4.047  -1.293
  135    HD2  TYR  17           HD2      TYR  17   7.598  -0.078  -0.903
  136    HE1  TYR  17           HE1      TYR  17   7.781   4.524   0.826
  137    HE2  TYR  17           HE2      TYR  17   8.752   0.388   1.218
  138    HH   TYR  17           HH       TYR  17   8.375   3.180   2.942
  139    H    ARG  18           HN       ARG  18   6.546  -0.261  -4.500
  140    HA   ARG  18           HA       ARG  18   5.198   0.612  -6.969
  141   1HB   ARG  18          HB2       ARG  18   7.531  -0.891  -6.800
  142   2HB   ARG  18          HB1       ARG  18   6.278  -2.084  -7.112
  143   1HG   ARG  18          HG2       ARG  18   6.544   0.407  -8.761
  144   2HG   ARG  18          HG1       ARG  18   7.452  -1.063  -9.120
  145   1HD   ARG  18          HD2       ARG  18   4.894  -1.999  -8.787
  146   2HD   ARG  18          HD1       ARG  18   4.634  -0.438  -9.563
  147    HE   ARG  18           HE       ARG  18   5.539  -1.278 -11.493
  148   1HH1  ARG  18          HH11      ARG  18   6.277  -3.442  -8.856
  149   2HH1  ARG  18          HH12      ARG  18   6.902  -4.685  -9.887
  150   1HH2  ARG  18          HH21      ARG  18   6.359  -2.913 -12.850
  151   2HH2  ARG  18          HH22      ARG  18   6.950  -4.385 -12.154
  152    H    SER  19           HN       SER  19   5.347  -1.819  -4.398
  153    HA   SER  19           HA       SER  19   2.528  -2.447  -4.971
  154   1HB   SER  19          HB2       SER  19   4.065  -4.278  -5.734
  155   2HB   SER  19          HB1       SER  19   4.578  -4.476  -4.059
  156    HG   SER  19           HG       SER  19   2.096  -5.040  -5.243
  157    H    GLY  20           HN       GLY  20   1.914  -4.075  -2.919
  158   1HA   GLY  20          HA2       GLY  20   2.826  -3.666  -0.387
  159   2HA   GLY  20          HA1       GLY  20   1.851  -2.239  -0.703
  160    H    LYS  21           HN       LYS  21   1.247  -3.998   1.341
  161    HA   LYS  21           HA       LYS  21  -1.391  -4.898   0.483
  162   1HB   LYS  21          HB2       LYS  21   0.678  -6.672   1.771
  163   2HB   LYS  21          HB1       LYS  21  -1.041  -7.034   1.835
  164   1HG   LYS  21          HG2       LYS  21  -1.062  -6.988  -0.663
  165   2HG   LYS  21          HG1       LYS  21   0.697  -6.849  -0.612
  166   1HD   LYS  21          HD2       LYS  21   0.783  -8.961   0.678
  167   2HD   LYS  21          HD1       LYS  21  -0.967  -9.109   0.498
  168   1HE   LYS  21          HE2       LYS  21   0.489  -8.666  -2.010
  169   2HE   LYS  21          HE1       LYS  21   0.876 -10.182  -1.198
  170   1HZ   LYS  21          HZ1       LYS  21  -1.777 -10.196  -1.027
  171   2HZ   LYS  21          HZ2       LYS  21  -0.926 -10.890  -2.314
  172   3HZ   LYS  21          HZ3       LYS  21  -1.591  -9.343  -2.477
  173    H    CYS  22           HN       CYS  22  -2.945  -4.708   2.041
  174    HA   CYS  22           HA       CYS  22  -2.112  -3.380   4.507
  175   1HB   CYS  22          HB2       CYS  22  -3.799  -2.138   3.429
  176   2HB   CYS  22          HB1       CYS  22  -4.733  -3.576   3.038
  177    H    ILE  23           HN       ILE  23  -1.843  -4.573   6.263
  178    HA   ILE  23           HA       ILE  23  -3.090  -7.187   6.473
  179    HB   ILE  23           HB       ILE  23  -1.297  -5.868   8.509
  180   1HG1  ILE  23          HG12      ILE  23  -0.410  -7.791   6.359
  181   2HG1  ILE  23          HG11      ILE  23  -0.317  -6.044   6.154
  182   1HG2  ILE  23          HG21      ILE  23  -2.412  -8.591   8.103
  183   2HG2  ILE  23          HG22      ILE  23  -2.157  -7.682   9.592
  184   3HG2  ILE  23          HG23      ILE  23  -0.790  -8.446   8.781
  185   1HD1  ILE  23          HD11      ILE  23   1.009  -7.554   8.389
  186   2HD1  ILE  23          HD12      ILE  23   1.214  -5.851   7.978
  187   3HD1  ILE  23          HD13      ILE  23   1.801  -7.101   6.881
  188    H    ASN  24           HN       ASN  24  -4.295  -7.839   8.347
  189    HA   ASN  24           HA       ASN  24  -6.499  -6.415   8.944
  190   1HB   ASN  24          HB2       ASN  24  -5.024  -8.387  10.666
  191   2HB   ASN  24          HB1       ASN  24  -6.594  -7.732  11.119
  192   1HD2  ASN  24          HD21      ASN  24  -8.181  -7.803   9.149
  193   2HD2  ASN  24          HD22      ASN  24  -8.281  -9.344   8.373
  194    H    ASN  25           HN       ASN  25  -3.386  -5.874  10.297
  195    HA   ASN  25           HA       ASN  25  -4.348  -3.453  11.555
  196   1HB   ASN  25          HB2       ASN  25  -4.116  -5.750  13.116
  197   2HB   ASN  25          HB1       ASN  25  -2.645  -4.844  13.454
  198   1HD2  ASN  25          HD21      ASN  25  -6.041  -5.023  13.863
  199   2HD2  ASN  25          HD22      ASN  25  -6.218  -3.633  14.873
  200    H    ALA  26           HN       ALA  26  -2.595  -3.984   9.333
  201    HA   ALA  26           HA       ALA  26  -0.494  -2.214   9.965
  202   1HB   ALA  26          HB1       ALA  26   0.807  -3.698  11.067
  203   2HB   ALA  26          HB2       ALA  26   1.291  -4.133   9.427
  204   3HB   ALA  26          HB3       ALA  26   0.077  -5.093  10.272
  205    H    CYS  27           HN       CYS  27  -0.475  -1.142   8.096
  206    HA   CYS  27           HA       CYS  27  -0.706  -2.627   5.583
  207   1HB   CYS  27          HB2       CYS  27  -2.107  -0.520   6.191
  208   2HB   CYS  27          HB1       CYS  27  -0.645   0.371   5.783
  209    H    LYS  28           HN       LYS  28   1.086  -3.166   4.537
  210    HA   LYS  28           HA       LYS  28   3.447  -1.426   4.819
  211   1HB   LYS  28          HB2       LYS  28   4.540  -3.798   4.114
  212   2HB   LYS  28          HB1       LYS  28   4.357  -3.260   5.776
  213   1HG   LYS  28          HG2       LYS  28   2.228  -4.499   5.906
  214   2HG   LYS  28          HG1       LYS  28   2.501  -5.088   4.265
  215   1HD   LYS  28          HD2       LYS  28   3.292  -6.828   5.593
  216   2HD   LYS  28          HD1       LYS  28   4.758  -5.935   5.183
  217   1HE   LYS  28          HE2       LYS  28   4.798  -4.873   7.319
  218   2HE   LYS  28          HE1       LYS  28   3.195  -5.491   7.719
  219   1HZ   LYS  28          HZ1       LYS  28   4.445  -7.013   8.803
  220   2HZ   LYS  28          HZ2       LYS  28   5.776  -6.847   7.772
  221   3HZ   LYS  28          HZ3       LYS  28   4.444  -7.769   7.289
  222    H    CYS  29           HN       CYS  29   4.928  -1.433   2.987
  223    HA   CYS  29           HA       CYS  29   3.601  -2.052   0.437
  224   1HB   CYS  29          HB2       CYS  29   5.359   0.134   0.036
  225   2HB   CYS  29          HB1       CYS  29   3.613   0.099  -0.144
  226    H    TYR  30           HN       TYR  30   5.137  -2.208  -1.410
  227    HA   TYR  30           HA       TYR  30   7.746  -3.246  -0.523
  228   1HB   TYR  30          HB2       TYR  30   6.156  -4.323  -2.852
  229   2HB   TYR  30          HB1       TYR  30   7.612  -5.009  -2.141
  230    HD1  TYR  30           HD1      TYR  30   4.066  -5.078  -2.164
  231    HD2  TYR  30           HD2      TYR  30   7.440  -5.764   0.335
  232    HE1  TYR  30           HE1      TYR  30   2.678  -6.464  -0.680
  233    HE2  TYR  30           HE2      TYR  30   6.062  -7.152   1.825
  234    HH   TYR  30           HH       TYR  30   2.921  -8.211   0.969
  235    HA   PRO  31           HA       PRO  31   9.126   0.020  -3.290
  236   1HB   PRO  31          HB2       PRO  31  11.797  -0.632  -3.112
  237   2HB   PRO  31          HB1       PRO  31  10.940   0.398  -1.962
  238   1HG   PRO  31          HG2       PRO  31  11.638  -2.500  -1.758
  239   2HG   PRO  31          HG1       PRO  31  11.677  -1.245  -0.508
  240   1HD   PRO  31          HD2       PRO  31   9.685  -3.048  -0.657
  241   2HD   PRO  31          HD1       PRO  31   9.402  -1.378  -0.125
  242    H    TYR  32           HN       TYR  32  11.440  -2.636  -3.665
  243    HA   TYR  32           HA       TYR  32  10.360  -3.245  -6.306
  244   1HB   TYR  32          HB2       TYR  32  12.781  -1.734  -5.802
  245   2HB   TYR  32          HB1       TYR  32  13.129  -3.209  -6.698
  246    HD1  TYR  32           HD1      TYR  32  11.887  -3.631  -8.860
  247    HD2  TYR  32           HD2      TYR  32  11.791   0.123  -6.862
  248    HE1  TYR  32           HE1      TYR  32  11.121  -2.554 -10.933
  249    HE2  TYR  32           HE2      TYR  32  11.024   1.211  -8.930
  250    HH   TYR  32           HH       TYR  32  11.355   0.227 -11.758
  Start of MODEL    3
    1   1H    ALA   1           HT1      ALA   1 -12.784   4.586  10.983
    2   2H    ALA   1           HT2      ALA   1 -13.742   3.236  10.529
    3   3H    ALA   1           HT3      ALA   1 -14.241   4.824  10.112
    4    HA   ALA   1           HA       ALA   1 -13.395   4.066   8.178
    5   1HB   ALA   1          HB1       ALA   1 -12.406   6.162   8.523
    6   2HB   ALA   1          HB2       ALA   1 -11.077   5.120   8.015
    7   3HB   ALA   1          HB3       ALA   1 -11.275   5.529   9.719
    8    H    VAL   2           HN       VAL   2 -12.623   2.326   7.172
    9    HA   VAL   2           HA       VAL   2 -10.822   0.545   8.668
   10    HB   VAL   2           HB       VAL   2 -12.098  -0.426   6.177
   11   1HG1  VAL   2          HG11      VAL   2 -12.501  -2.322   8.025
   12   2HG1  VAL   2          HG12      VAL   2 -11.133  -1.484   8.758
   13   3HG1  VAL   2          HG13      VAL   2 -10.992  -2.149   7.130
   14   1HG2  VAL   2          HG21      VAL   2 -13.641   0.432   8.575
   15   2HG2  VAL   2          HG22      VAL   2 -14.113  -1.058   7.757
   16   3HG2  VAL   2          HG23      VAL   2 -14.092   0.467   6.871
   17    H    CYS   3           HN       CYS   3  -9.395  -0.812   7.222
   18    HA   CYS   3           HA       CYS   3  -7.606   0.914   5.853
   19   1HB   CYS   3          HB2       CYS   3  -6.796  -1.037   7.057
   20   2HB   CYS   3          HB1       CYS   3  -7.715  -2.104   6.003
   21    H    VAL   4           HN       VAL   4  -7.616   1.550   3.806
   22    HA   VAL   4           HA       VAL   4  -9.333   0.111   1.900
   23    HB   VAL   4           HB       VAL   4  -8.246   2.898   1.544
   24   1HG1  VAL   4          HG11      VAL   4 -10.053   3.112  -0.072
   25   2HG1  VAL   4          HG12      VAL   4 -10.590   1.472   0.290
   26   3HG1  VAL   4          HG13      VAL   4  -9.023   1.738  -0.473
   27   1HG2  VAL   4          HG21      VAL   4 -10.488   3.687   2.276
   28   2HG2  VAL   4          HG22      VAL   4  -9.541   2.948   3.568
   29   3HG2  VAL   4          HG23      VAL   4 -10.848   2.043   2.805
   30    H    TYR   5           HN       TYR   5  -8.361  -1.087   0.420
   31    HA   TYR   5           HA       TYR   5  -5.586  -1.285   0.126
   32   1HB   TYR   5          HB2       TYR   5  -7.571  -2.890  -0.555
   33   2HB   TYR   5          HB1       TYR   5  -7.367  -2.094  -2.109
   34    HD1  TYR   5           HD1      TYR   5  -5.158  -3.578   0.522
   35    HD2  TYR   5           HD2      TYR   5  -6.042  -3.204  -3.623
   36    HE1  TYR   5           HE1      TYR   5  -3.294  -5.093  -0.006
   37    HE2  TYR   5           HE2      TYR   5  -4.181  -4.717  -4.163
   38    HH   TYR   5           HH       TYR   5  -2.855  -6.458  -3.101
   39    H    ARG   6           HN       ARG   6  -7.994   0.342  -1.910
   40    HA   ARG   6           HA       ARG   6  -6.163   1.196  -3.878
   41   1HB   ARG   6          HB2       ARG   6  -8.826   1.101  -3.777
   42   2HB   ARG   6          HB1       ARG   6  -8.599   2.794  -3.369
   43   1HG   ARG   6          HG2       ARG   6  -7.371   3.160  -5.425
   44   2HG   ARG   6          HG1       ARG   6  -7.505   1.446  -5.827
   45   1HD   ARG   6          HD2       ARG   6  -9.309   2.112  -6.993
   46   2HD   ARG   6          HD1       ARG   6 -10.104   2.068  -5.420
   47    HE   ARG   6           HE       ARG   6  -9.107   4.577  -5.530
   48   1HH1  ARG   6          HH11      ARG   6 -11.078   2.703  -7.718
   49   2HH1  ARG   6          HH12      ARG   6 -11.901   4.084  -8.359
   50   1HH2  ARG   6          HH21      ARG   6 -10.189   6.395  -6.373
   51   2HH2  ARG   6          HH22      ARG   6 -11.396   6.181  -7.596
   52    H    THR   7           HN       THR   7  -7.343   2.699  -0.909
   53    HA   THR   7           HA       THR   7  -6.134   5.233  -1.431
   54    HB   THR   7           HB       THR   7  -6.811   4.231   1.319
   55    HG1  THR   7           HG1      THR   7  -8.669   5.188  -0.596
   56   1HG2  THR   7          HG21      THR   7  -6.991   6.915  -0.017
   57   2HG2  THR   7          HG22      THR   7  -5.938   6.438   1.315
   58   3HG2  THR   7          HG23      THR   7  -7.680   6.551   1.565
   59    H    CYS   8           HN       CYS   8  -5.279   2.379   0.445
   60    HA   CYS   8           HA       CYS   8  -2.846   3.474   1.465
   61   1HB   CYS   8          HB2       CYS   8  -4.134   1.521   2.455
   62   2HB   CYS   8          HB1       CYS   8  -3.479   0.537   1.150
   63    H    ASP   9           HN       ASP   9  -3.721   1.537  -1.332
   64    HA   ASP   9           HA       ASP   9  -1.110   0.919  -2.185
   65   1HB   ASP   9          HB2       ASP   9  -3.113  -0.257  -3.008
   66   2HB   ASP   9          HB1       ASP   9  -3.626   1.207  -3.841
   67    H    LYS  10           HN       LYS  10  -3.334   3.543  -3.104
   68    HA   LYS  10           HA       LYS  10  -1.560   4.743  -4.948
   69   1HB   LYS  10          HB2       LYS  10  -4.197   5.195  -3.998
   70   2HB   LYS  10          HB1       LYS  10  -3.313   6.708  -3.901
   71   1HG   LYS  10          HG2       LYS  10  -3.196   6.940  -6.134
   72   2HG   LYS  10          HG1       LYS  10  -2.983   5.210  -6.409
   73   1HD   LYS  10          HD2       LYS  10  -5.244   4.800  -6.452
   74   2HD   LYS  10          HD1       LYS  10  -5.624   6.196  -5.441
   75   1HE   LYS  10          HE2       LYS  10  -4.505   6.560  -8.195
   76   2HE   LYS  10          HE1       LYS  10  -6.226   6.258  -7.958
   77   1HZ   LYS  10          HZ1       LYS  10  -4.665   8.502  -6.797
   78   2HZ   LYS  10          HZ2       LYS  10  -6.299   8.198  -6.486
   79   3HZ   LYS  10          HZ3       LYS  10  -5.799   8.613  -8.048
   80    H    ASP  11           HN       ASP  11  -2.429   5.676  -1.618
   81    HA   ASP  11           HA       ASP  11  -0.709   7.858  -1.401
   82   1HB   ASP  11          HB2       ASP  11  -2.539   6.620   0.215
   83   2HB   ASP  11          HB1       ASP  11  -1.032   6.282   1.044
   84    H    CYS  12           HN       CYS  12  -0.186   4.437  -0.816
   85    HA   CYS  12           HA       CYS  12   2.461   4.789   0.217
   86   1HB   CYS  12          HB2       CYS  12   0.902   2.864   0.741
   87   2HB   CYS  12          HB1       CYS  12   1.287   2.228  -0.855
   88    H    LYS  13           HN       LYS  13   1.158   3.725  -2.940
   89    HA   LYS  13           HA       LYS  13   3.654   3.116  -4.079
   90   1HB   LYS  13          HB2       LYS  13   2.528   3.254  -6.246
   91   2HB   LYS  13          HB1       LYS  13   1.558   2.363  -5.083
   92   1HG   LYS  13          HG2       LYS  13   0.026   3.707  -6.195
   93   2HG   LYS  13          HG1       LYS  13   0.337   4.567  -4.690
   94   1HD   LYS  13          HD2       LYS  13   1.074   6.353  -5.786
   95   2HD   LYS  13          HD1       LYS  13   2.216   5.376  -6.710
   96   1HE   LYS  13          HE2       LYS  13   0.921   5.408  -8.528
   97   2HE   LYS  13          HE1       LYS  13  -0.526   5.014  -7.600
   98   1HZ   LYS  13          HZ1       LYS  13  -1.105   7.168  -7.423
   99   2HZ   LYS  13          HZ2       LYS  13  -0.154   7.347  -8.810
  100   3HZ   LYS  13          HZ3       LYS  13   0.489   7.719  -7.290
  101    H    ARG  14           HN       ARG  14   1.924   6.141  -3.716
  102    HA   ARG  14           HA       ARG  14   3.518   7.639  -5.524
  103   1HB   ARG  14          HB2       ARG  14   2.493   9.589  -4.584
  104   2HB   ARG  14          HB1       ARG  14   1.268   8.333  -4.688
  105   1HG   ARG  14          HG2       ARG  14   0.906   8.372  -2.495
  106   2HG   ARG  14          HG1       ARG  14   2.631   8.312  -2.129
  107   1HD   ARG  14          HD2       ARG  14   1.480  10.361  -1.299
  108   2HD   ARG  14          HD1       ARG  14   2.837  10.680  -2.378
  109    HE   ARG  14           HE       ARG  14   1.379  11.580  -3.904
  110   1HH1  ARG  14          HH11      ARG  14  -0.433   9.856  -1.469
  111   2HH1  ARG  14          HH12      ARG  14  -1.966  10.452  -2.011
  112   1HH2  ARG  14          HH21      ARG  14  -0.636  12.363  -4.617
  113   2HH2  ARG  14          HH22      ARG  14  -2.082  11.874  -3.798
  114    H    ARG  15           HN       ARG  15   4.242   6.289  -2.512
  115    HA   ARG  15           HA       ARG  15   6.213   8.312  -1.810
  116   1HB   ARG  15          HB2       ARG  15   5.527   5.715  -0.426
  117   2HB   ARG  15          HB1       ARG  15   6.577   6.976   0.206
  118   1HG   ARG  15          HG2       ARG  15   4.344   8.408  -0.251
  119   2HG   ARG  15          HG1       ARG  15   3.642   6.828   0.102
  120   1HD   ARG  15          HD2       ARG  15   4.375   6.829   2.263
  121   2HD   ARG  15          HD1       ARG  15   5.787   7.820   1.898
  122    HE   ARG  15           HE       ARG  15   3.171   8.737   2.666
  123   1HH1  ARG  15          HH11      ARG  15   6.143   9.586   1.046
  124   2HH1  ARG  15          HH12      ARG  15   5.930  11.289   1.279
  125   1HH2  ARG  15          HH21      ARG  15   2.889  10.976   2.974
  126   2HH2  ARG  15          HH22      ARG  15   4.083  12.078   2.374
  127    H    GLY  16           HN       GLY  16   6.354   6.371  -4.195
  128   1HA   GLY  16          HA2       GLY  16   8.133   5.509  -5.369
  129   2HA   GLY  16          HA1       GLY  16   9.169   5.946  -4.023
  130    H    TYR  17           HN       TYR  17   6.398   3.724  -4.322
  131    HA   TYR  17           HA       TYR  17   8.150   1.590  -3.284
  132   1HB   TYR  17          HB2       TYR  17   5.234   2.147  -2.760
  133   2HB   TYR  17          HB1       TYR  17   5.951   0.568  -2.451
  134    HD1  TYR  17           HD1      TYR  17   6.313   4.175  -1.593
  135    HD2  TYR  17           HD2      TYR  17   7.022   0.146  -0.423
  136    HE1  TYR  17           HE1      TYR  17   7.067   4.954   0.614
  137    HE2  TYR  17           HE2      TYR  17   7.777   0.914   1.787
  138    HH   TYR  17           HH       TYR  17   8.739   3.016   2.776
  139    H    ARG  18           HN       ARG  18   7.611  -0.600  -3.989
  140    HA   ARG  18           HA       ARG  18   6.847  -0.596  -6.803
  141   1HB   ARG  18          HB2       ARG  18   8.798  -1.957  -5.319
  142   2HB   ARG  18          HB1       ARG  18   7.628  -3.185  -5.780
  143   1HG   ARG  18          HG2       ARG  18   8.047  -1.654  -8.080
  144   2HG   ARG  18          HG1       ARG  18   9.643  -1.888  -7.365
  145   1HD   ARG  18          HD2       ARG  18   9.335  -3.727  -8.794
  146   2HD   ARG  18          HD1       ARG  18   9.024  -4.347  -7.172
  147    HE   ARG  18           HE       ARG  18   6.563  -3.649  -8.039
  148   1HH1  ARG  18          HH11      ARG  18   9.100  -5.610  -9.418
  149   2HH1  ARG  18          HH12      ARG  18   8.007  -6.638 -10.282
  150   1HH2  ARG  18          HH21      ARG  18   5.124  -5.001  -9.173
  151   2HH2  ARG  18          HH22      ARG  18   5.749  -6.293 -10.143
  152    H    SER  19           HN       SER  19   6.108  -2.500  -3.874
  153    HA   SER  19           HA       SER  19   3.326  -2.600  -4.545
  154   1HB   SER  19          HB2       SER  19   4.433  -4.372  -6.025
  155   2HB   SER  19          HB1       SER  19   4.713  -5.271  -4.535
  156    HG   SER  19           HG       SER  19   2.682  -5.804  -4.499
  157    H    GLY  20           HN       GLY  20   2.032  -3.443  -2.871
  158   1HA   GLY  20          HA2       GLY  20   3.354  -4.456  -0.482
  159   2HA   GLY  20          HA1       GLY  20   2.574  -2.890  -0.324
  160    H    LYS  21           HN       LYS  21   1.276  -3.951   1.314
  161    HA   LYS  21           HA       LYS  21  -1.236  -4.796   0.262
  162   1HB   LYS  21          HB2       LYS  21   0.626  -6.817   1.438
  163   2HB   LYS  21          HB1       LYS  21  -1.098  -6.972   1.747
  164   1HG   LYS  21          HG2       LYS  21  -1.084  -6.588  -0.937
  165   2HG   LYS  21          HG1       LYS  21   0.433  -7.458  -0.704
  166   1HD   LYS  21          HD2       LYS  21  -0.959  -9.084   0.722
  167   2HD   LYS  21          HD1       LYS  21  -2.360  -8.334  -0.046
  168   1HE   LYS  21          HE2       LYS  21  -1.825  -9.151  -2.131
  169   2HE   LYS  21          HE1       LYS  21  -0.110  -9.300  -1.748
  170   1HZ   LYS  21          HZ1       LYS  21  -2.324 -11.119  -1.077
  171   2HZ   LYS  21          HZ2       LYS  21  -0.942 -11.091  -0.102
  172   3HZ   LYS  21          HZ3       LYS  21  -0.810 -11.475  -1.744
  173    H    CYS  22           HN       CYS  22  -2.822  -5.235   2.021
  174    HA   CYS  22           HA       CYS  22  -2.142  -3.619   4.377
  175   1HB   CYS  22          HB2       CYS  22  -3.968  -2.650   3.178
  176   2HB   CYS  22          HB1       CYS  22  -4.788  -4.202   3.045
  177    H    ILE  23           HN       ILE  23  -1.820  -4.658   6.214
  178    HA   ILE  23           HA       ILE  23  -2.629  -7.424   6.506
  179    HB   ILE  23           HB       ILE  23  -1.240  -5.693   8.551
  180   1HG1  ILE  23          HG12      ILE  23   0.099  -7.581   6.615
  181   2HG1  ILE  23          HG11      ILE  23  -0.079  -5.861   6.282
  182   1HG2  ILE  23          HG21      ILE  23  -1.784  -8.613   8.272
  183   2HG2  ILE  23          HG22      ILE  23  -1.939  -7.569   9.685
  184   3HG2  ILE  23          HG23      ILE  23  -0.342  -8.071   9.131
  185   1HD1  ILE  23          HD11      ILE  23   1.017  -6.122   8.874
  186   2HD1  ILE  23          HD12      ILE  23   1.769  -5.465   7.420
  187   3HD1  ILE  23          HD13      ILE  23   1.919  -7.182   7.793
  188    H    ASN  24           HN       ASN  24  -3.785  -8.187   8.397
  189    HA   ASN  24           HA       ASN  24  -6.269  -7.277   8.768
  190   1HB   ASN  24          HB2       ASN  24  -4.486  -8.577  10.813
  191   2HB   ASN  24          HB1       ASN  24  -6.208  -8.317  11.078
  192   1HD2  ASN  24          HD21      ASN  24  -3.855 -10.332   9.749
  193   2HD2  ASN  24          HD22      ASN  24  -4.904 -11.429   8.925
  194    H    ASN  25           HN       ASN  25  -3.465  -5.920  10.242
  195    HA   ASN  25           HA       ASN  25  -4.961  -3.578  11.011
  196   1HB   ASN  25          HB2       ASN  25  -4.628  -5.563  12.932
  197   2HB   ASN  25          HB1       ASN  25  -3.359  -4.398  13.296
  198   1HD2  ASN  25          HD21      ASN  25  -4.145  -3.434  15.063
  199   2HD2  ASN  25          HD22      ASN  25  -5.650  -2.590  15.139
  200    H    ALA  26           HN       ALA  26  -2.918  -3.999   9.100
  201    HA   ALA  26           HA       ALA  26  -1.157  -1.894   9.790
  202   1HB   ALA  26          HB1       ALA  26  -0.227  -4.647  10.321
  203   2HB   ALA  26          HB2       ALA  26   0.217  -3.126  11.096
  204   3HB   ALA  26          HB3       ALA  26   0.916  -3.559   9.535
  205    H    CYS  27           HN       CYS  27  -1.171  -0.934   7.866
  206    HA   CYS  27           HA       CYS  27  -0.978  -2.527   5.425
  207   1HB   CYS  27          HB2       CYS  27  -2.602  -0.501   5.897
  208   2HB   CYS  27          HB1       CYS  27  -1.204   0.458   5.427
  209    H    LYS  28           HN       LYS  28   0.884  -2.758   4.337
  210    HA   LYS  28           HA       LYS  28   2.941  -0.698   4.549
  211   1HB   LYS  28          HB2       LYS  28   3.085  -2.910   6.176
  212   2HB   LYS  28          HB1       LYS  28   4.069  -3.391   4.801
  213   1HG   LYS  28          HG2       LYS  28   5.757  -2.215   5.605
  214   2HG   LYS  28          HG1       LYS  28   4.795  -0.742   5.464
  215   1HD   LYS  28          HD2       LYS  28   4.000  -0.930   7.678
  216   2HD   LYS  28          HD1       LYS  28   4.554  -2.600   7.817
  217   1HE   LYS  28          HE2       LYS  28   6.897  -1.748   7.575
  218   2HE   LYS  28          HE1       LYS  28   6.248  -0.111   7.679
  219   1HZ   LYS  28          HZ1       LYS  28   5.520  -0.485   9.873
  220   2HZ   LYS  28          HZ2       LYS  28   7.097  -1.093   9.810
  221   3HZ   LYS  28          HZ3       LYS  28   5.781  -2.154   9.774
  222    H    CYS  29           HN       CYS  29   4.763  -1.088   3.034
  223    HA   CYS  29           HA       CYS  29   4.172  -2.832   0.780
  224   1HB   CYS  29          HB2       CYS  29   4.889  -0.074   0.043
  225   2HB   CYS  29          HB1       CYS  29   3.914  -1.242  -0.825
  226    H    TYR  30           HN       TYR  30   5.971  -2.708  -0.874
  227    HA   TYR  30           HA       TYR  30   8.548  -2.140   0.421
  228   1HB   TYR  30          HB2       TYR  30   8.381  -4.538  -1.328
  229   2HB   TYR  30          HB1       TYR  30   9.386  -4.246   0.087
  230    HD1  TYR  30           HD1      TYR  30   6.260  -5.602  -1.141
  231    HD2  TYR  30           HD2      TYR  30   8.420  -4.527   2.362
  232    HE1  TYR  30           HE1      TYR  30   4.711  -6.944   0.217
  233    HE2  TYR  30           HE2      TYR  30   6.879  -5.867   3.731
  234    HH   TYR  30           HH       TYR  30   4.615  -6.754   3.619
  235    HA   PRO  31           HA       PRO  31   9.483  -0.301  -3.503
  236   1HB   PRO  31          HB2       PRO  31  12.099   0.140  -3.184
  237   2HB   PRO  31          HB1       PRO  31  10.901   0.996  -2.205
  238   1HG   PRO  31          HG2       PRO  31  12.595  -1.364  -1.490
  239   2HG   PRO  31          HG1       PRO  31  12.192   0.061  -0.516
  240   1HD   PRO  31          HD2       PRO  31  10.930  -2.381  -0.304
  241   2HD   PRO  31          HD1       PRO  31  10.207  -0.833   0.177
  242    H    TYR  32           HN       TYR  32  11.671  -0.483  -5.025
  243    HA   TYR  32           HA       TYR  32  11.403  -2.996  -6.296
  244   1HB   TYR  32          HB2       TYR  32  12.614  -0.475  -6.872
  245   2HB   TYR  32          HB1       TYR  32  13.808  -1.736  -7.158
  246    HD1  TYR  32           HD1      TYR  32  12.651  -3.894  -8.396
  247    HD2  TYR  32           HD2      TYR  32  11.418   0.165  -8.726
  248    HE1  TYR  32           HE1      TYR  32  11.607  -4.393 -10.565
  249    HE2  TYR  32           HE2      TYR  32  10.370  -0.324 -10.896
  250    HH   TYR  32           HH       TYR  32   9.463  -2.275 -12.106
  Start of MODEL    4
    1   1H    ALA   1           HT1      ALA   1 -12.583   5.760   9.296
    2   2H    ALA   1           HT2      ALA   1 -13.649   4.637  10.036
    3   3H    ALA   1           HT3      ALA   1 -14.272   5.880   9.029
    4    HA   ALA   1           HA       ALA   1 -14.329   3.937   7.798
    5   1HB   ALA   1          HB1       ALA   1 -13.703   5.688   6.399
    6   2HB   ALA   1          HB2       ALA   1 -12.496   4.445   6.065
    7   3HB   ALA   1          HB3       ALA   1 -12.093   5.808   7.109
    8    H    VAL   2           HN       VAL   2 -12.661   2.468   6.461
    9    HA   VAL   2           HA       VAL   2 -10.897   1.200   8.458
   10    HB   VAL   2           HB       VAL   2 -11.921  -0.488   6.257
   11   1HG1  VAL   2          HG11      VAL   2 -10.627  -0.820   8.729
   12   2HG1  VAL   2          HG12      VAL   2 -11.149  -2.072   7.602
   13   3HG1  VAL   2          HG13      VAL   2 -12.223  -1.551   8.900
   14   1HG2  VAL   2          HG21      VAL   2 -14.026   0.387   6.639
   15   2HG2  VAL   2          HG22      VAL   2 -13.704   0.695   8.346
   16   3HG2  VAL   2          HG23      VAL   2 -13.982  -0.954   7.784
   17    H    CYS   3           HN       CYS   3  -9.249  -0.257   7.402
   18    HA   CYS   3           HA       CYS   3  -7.545   1.274   5.790
   19   1HB   CYS   3          HB2       CYS   3  -6.656  -0.446   7.230
   20   2HB   CYS   3          HB1       CYS   3  -7.561  -1.692   6.378
   21    H    VAL   4           HN       VAL   4  -7.440   1.591   3.665
   22    HA   VAL   4           HA       VAL   4  -9.044  -0.156   1.918
   23    HB   VAL   4           HB       VAL   4  -8.183   2.668   1.301
   24   1HG1  VAL   4          HG11      VAL   4  -9.955   2.523  -0.403
   25   2HG1  VAL   4          HG12      VAL   4 -10.225   0.839   0.045
   26   3HG1  VAL   4          HG13      VAL   4  -8.682   1.328  -0.653
   27   1HG2  VAL   4          HG21      VAL   4 -10.483   1.640   2.854
   28   2HG2  VAL   4          HG22      VAL   4 -10.814   2.924   1.692
   29   3HG2  VAL   4          HG23      VAL   4  -9.630   3.178   2.973
   30    H    TYR   5           HN       TYR   5  -7.944  -1.430   0.603
   31    HA   TYR   5           HA       TYR   5  -5.166  -1.480   0.392
   32   1HB   TYR   5          HB2       TYR   5  -6.917  -3.301  -0.155
   33   2HB   TYR   5          HB1       TYR   5  -6.942  -2.567  -1.751
   34    HD1  TYR   5           HD1      TYR   5  -5.316  -4.915   0.355
   35    HD2  TYR   5           HD2      TYR   5  -4.673  -2.335  -2.967
   36    HE1  TYR   5           HE1      TYR   5  -3.342  -6.236  -0.282
   37    HE2  TYR   5           HE2      TYR   5  -2.698  -3.649  -3.613
   38    HH   TYR   5           HH       TYR   5  -2.077  -6.618  -2.674
   39    H    ARG   6           HN       ARG   6  -7.586  -0.010  -1.715
   40    HA   ARG   6           HA       ARG   6  -5.769   0.721  -3.759
   41   1HB   ARG   6          HB2       ARG   6  -8.439   0.582  -3.634
   42   2HB   ARG   6          HB1       ARG   6  -8.230   2.305  -3.376
   43   1HG   ARG   6          HG2       ARG   6  -6.570   1.761  -5.516
   44   2HG   ARG   6          HG1       ARG   6  -7.987   0.751  -5.806
   45   1HD   ARG   6          HD2       ARG   6  -8.824   3.348  -4.932
   46   2HD   ARG   6          HD1       ARG   6  -7.695   3.514  -6.276
   47    HE   ARG   6           HE       ARG   6  -9.270   2.611  -7.674
   48   1HH1  ARG   6          HH11      ARG   6 -10.219   2.035  -4.366
   49   2HH1  ARG   6          HH12      ARG   6 -11.791   1.446  -4.788
   50   1HH2  ARG   6          HH21      ARG   6 -11.340   1.836  -8.231
   51   2HH2  ARG   6          HH22      ARG   6 -12.428   1.332  -6.981
   52    H    THR   7           HN       THR   7  -6.952   2.350  -0.869
   53    HA   THR   7           HA       THR   7  -5.810   4.885  -1.550
   54    HB   THR   7           HB       THR   7  -6.636   3.895   1.180
   55    HG1  THR   7           HG1      THR   7  -8.294   3.763  -0.490
   56   1HG2  THR   7          HG21      THR   7  -6.317   6.654   0.043
   57   2HG2  THR   7          HG22      THR   7  -5.467   5.940   1.413
   58   3HG2  THR   7          HG23      THR   7  -7.188   6.304   1.536
   59    H    CYS   8           HN       CYS   8  -4.902   2.169   0.501
   60    HA   CYS   8           HA       CYS   8  -2.504   3.361   1.477
   61   1HB   CYS   8          HB2       CYS   8  -3.811   1.391   2.485
   62   2HB   CYS   8          HB1       CYS   8  -3.002   0.395   1.281
   63    H    ASP   9           HN       ASP   9  -3.327   1.322  -1.258
   64    HA   ASP   9           HA       ASP   9  -0.685   0.735  -2.070
   65   1HB   ASP   9          HB2       ASP   9  -2.638  -0.556  -2.843
   66   2HB   ASP   9          HB1       ASP   9  -3.210   0.851  -3.735
   67    H    LYS  10           HN       LYS  10  -3.028   3.190  -3.155
   68    HA   LYS  10           HA       LYS  10  -1.350   4.406  -5.046
   69   1HB   LYS  10          HB2       LYS  10  -3.934   4.871  -3.945
   70   2HB   LYS  10          HB1       LYS  10  -3.047   6.386  -3.940
   71   1HG   LYS  10          HG2       LYS  10  -3.972   6.495  -6.011
   72   2HG   LYS  10          HG1       LYS  10  -2.472   5.654  -6.407
   73   1HD   LYS  10          HD2       LYS  10  -3.598   3.528  -6.392
   74   2HD   LYS  10          HD1       LYS  10  -5.086   4.275  -5.807
   75   1HE   LYS  10          HE2       LYS  10  -5.563   5.235  -7.846
   76   2HE   LYS  10          HE1       LYS  10  -3.876   5.236  -8.359
   77   1HZ   LYS  10          HZ1       LYS  10  -4.022   3.145  -9.144
   78   2HZ   LYS  10          HZ2       LYS  10  -5.672   3.500  -9.251
   79   3HZ   LYS  10          HZ3       LYS  10  -5.079   2.626  -7.930
   80    H    ASP  11           HN       ASP  11  -1.931   5.179  -1.627
   81    HA   ASP  11           HA       ASP  11  -0.265   7.428  -1.484
   82   1HB   ASP  11          HB2       ASP  11  -1.901   6.074   0.252
   83   2HB   ASP  11          HB1       ASP  11  -0.310   5.734   0.905
   84    H    CYS  12           HN       CYS  12   0.348   3.995  -1.102
   85    HA   CYS  12           HA       CYS  12   3.023   4.169  -0.240
   86   1HB   CYS  12          HB2       CYS  12   1.557   2.131  -0.114
   87   2HB   CYS  12          HB1       CYS  12   1.792   1.924  -1.846
   88    H    LYS  13           HN       LYS  13   1.709   3.497  -3.505
   89    HA   LYS  13           HA       LYS  13   4.182   3.456  -4.815
   90   1HB   LYS  13          HB2       LYS  13   2.880   3.899  -6.883
   91   2HB   LYS  13          HB1       LYS  13   2.212   2.599  -5.905
   92   1HG   LYS  13          HG2       LYS  13   0.588   4.244  -4.970
   93   2HG   LYS  13          HG1       LYS  13   1.183   5.414  -6.150
   94   1HD   LYS  13          HD2       LYS  13  -0.057   2.734  -6.775
   95   2HD   LYS  13          HD1       LYS  13  -0.844   4.303  -6.946
   96   1HE   LYS  13          HE2       LYS  13   1.620   4.430  -8.336
   97   2HE   LYS  13          HE1       LYS  13   0.827   2.925  -8.800
   98   1HZ   LYS  13          HZ1       LYS  13   0.317   5.259  -9.951
   99   2HZ   LYS  13          HZ2       LYS  13  -0.860   5.290  -8.738
  100   3HZ   LYS  13          HZ3       LYS  13  -0.824   4.014  -9.847
  101    H    ARG  14           HN       ARG  14   2.119   6.123  -3.880
  102    HA   ARG  14           HA       ARG  14   3.504   8.085  -5.437
  103   1HB   ARG  14          HB2       ARG  14   1.166   7.991  -3.809
  104   2HB   ARG  14          HB1       ARG  14   2.184   9.297  -3.220
  105   1HG   ARG  14          HG2       ARG  14   2.121  10.423  -5.272
  106   2HG   ARG  14          HG1       ARG  14   1.522   9.002  -6.130
  107   1HD   ARG  14          HD2       ARG  14  -0.424  10.180  -5.933
  108   2HD   ARG  14          HD1       ARG  14  -0.483   9.253  -4.434
  109    HE   ARG  14           HE       ARG  14   0.794  11.524  -3.707
  110   1HH1  ARG  14          HH11      ARG  14  -2.209  10.903  -5.373
  111   2HH1  ARG  14          HH12      ARG  14  -2.976  12.340  -4.786
  112   1HH2  ARG  14          HH21      ARG  14  -0.213  13.414  -2.933
  113   2HH2  ARG  14          HH22      ARG  14  -1.843  13.766  -3.401
  114    H    ARG  15           HN       ARG  15   4.125   6.514  -2.463
  115    HA   ARG  15           HA       ARG  15   5.894   8.639  -1.529
  116   1HB   ARG  15          HB2       ARG  15   4.959   6.065  -0.264
  117   2HB   ARG  15          HB1       ARG  15   6.176   7.105   0.463
  118   1HG   ARG  15          HG2       ARG  15   3.548   8.272  -0.312
  119   2HG   ARG  15          HG1       ARG  15   3.666   7.297   1.154
  120   1HD   ARG  15          HD2       ARG  15   5.616   8.777   1.811
  121   2HD   ARG  15          HD1       ARG  15   5.136   9.835   0.485
  122    HE   ARG  15           HE       ARG  15   3.363  10.560   1.743
  123   1HH1  ARG  15          HH11      ARG  15   4.694   7.683   3.202
  124   2HH1  ARG  15          HH12      ARG  15   3.740   7.819   4.640
  125   1HH2  ARG  15          HH21      ARG  15   2.106  10.741   3.634
  126   2HH2  ARG  15          HH22      ARG  15   2.269   9.555   4.886
  127    H    GLY  16           HN       GLY  16   6.386   6.840  -3.912
  128   1HA   GLY  16          HA2       GLY  16   8.329   6.098  -4.901
  129   2HA   GLY  16          HA1       GLY  16   9.163   6.409  -3.390
  130    H    TYR  17           HN       TYR  17   6.494   4.231  -4.314
  131    HA   TYR  17           HA       TYR  17   8.155   1.969  -3.443
  132   1HB   TYR  17          HB2       TYR  17   5.296   2.523  -2.643
  133   2HB   TYR  17          HB1       TYR  17   6.061   0.949  -2.458
  134    HD1  TYR  17           HD1      TYR  17   7.243   0.459  -0.512
  135    HD2  TYR  17           HD2      TYR  17   6.472   4.525  -1.493
  136    HE1  TYR  17           HE1      TYR  17   8.148   1.150   1.667
  137    HE2  TYR  17           HE2      TYR  17   7.375   5.228   0.682
  138    HH   TYR  17           HH       TYR  17   9.277   3.540   2.518
  139    H    ARG  18           HN       ARG  18   6.807  -0.162  -4.019
  140    HA   ARG  18           HA       ARG  18   6.007   0.155  -6.836
  141   1HB   ARG  18          HB2       ARG  18   7.668  -1.852  -5.426
  142   2HB   ARG  18          HB1       ARG  18   6.600  -2.469  -6.678
  143   1HG   ARG  18          HG2       ARG  18   8.555  -0.225  -7.111
  144   2HG   ARG  18          HG1       ARG  18   8.916  -1.922  -7.430
  145   1HD   ARG  18          HD2       ARG  18   7.892  -1.822  -9.400
  146   2HD   ARG  18          HD1       ARG  18   6.419  -1.211  -8.649
  147    HE   ARG  18           HE       ARG  18   8.457   0.786  -9.002
  148   1HH1  ARG  18          HH11      ARG  18   5.768  -0.858 -10.500
  149   2HH1  ARG  18          HH12      ARG  18   5.441   0.426 -11.614
  150   1HH2  ARG  18          HH21      ARG  18   8.030   2.477 -10.468
  151   2HH2  ARG  18          HH22      ARG  18   6.725   2.319 -11.597
  152    H    SER  19           HN       SER  19   5.409  -1.855  -3.954
  153    HA   SER  19           HA       SER  19   2.575  -1.915  -4.637
  154   1HB   SER  19          HB2       SER  19   4.162  -4.447  -4.150
  155   2HB   SER  19          HB1       SER  19   2.420  -4.348  -4.401
  156    HG   SER  19           HG       SER  19   4.441  -3.637  -6.263
  157    H    GLY  20           HN       GLY  20   1.561  -3.550  -2.794
  158   1HA   GLY  20          HA2       GLY  20   2.716  -3.495  -0.229
  159   2HA   GLY  20          HA1       GLY  20   1.696  -2.076  -0.412
  160    H    LYS  21           HN       LYS  21   1.206  -4.049   1.498
  161    HA   LYS  21           HA       LYS  21  -1.408  -4.995   0.573
  162   1HB   LYS  21          HB2       LYS  21   0.859  -6.670   1.384
  163   2HB   LYS  21          HB1       LYS  21  -0.632  -7.038   2.240
  164   1HG   LYS  21          HG2       LYS  21  -1.425  -6.809  -0.399
  165   2HG   LYS  21          HG1       LYS  21   0.137  -7.626  -0.488
  166   1HD   LYS  21          HD2       LYS  21  -0.957  -9.003   1.531
  167   2HD   LYS  21          HD1       LYS  21  -2.429  -8.541   0.674
  168   1HE   LYS  21          HE2       LYS  21  -1.747 -10.652  -0.183
  169   2HE   LYS  21          HE1       LYS  21  -1.384  -9.446  -1.417
  170   1HZ   LYS  21          HZ1       LYS  21   0.662 -10.316   0.530
  171   2HZ   LYS  21          HZ2       LYS  21   0.883  -9.568  -0.971
  172   3HZ   LYS  21          HZ3       LYS  21   0.384 -11.182  -0.898
  173    H    CYS  22           HN       CYS  22  -3.009  -4.874   2.078
  174    HA   CYS  22           HA       CYS  22  -2.329  -3.524   4.566
  175   1HB   CYS  22          HB2       CYS  22  -4.122  -2.526   3.307
  176   2HB   CYS  22          HB1       CYS  22  -4.975  -4.062   3.210
  177    H    ILE  23           HN       ILE  23  -1.817  -4.782   6.231
  178    HA   ILE  23           HA       ILE  23  -2.920  -7.448   6.489
  179    HB   ILE  23           HB       ILE  23  -1.153  -6.059   8.496
  180   1HG1  ILE  23          HG12      ILE  23  -0.173  -7.815   6.247
  181   2HG1  ILE  23          HG11      ILE  23  -0.238  -6.062   6.103
  182   1HG2  ILE  23          HG21      ILE  23  -1.962  -8.006   9.458
  183   2HG2  ILE  23          HG22      ILE  23  -0.425  -8.524   8.765
  184   3HG2  ILE  23          HG23      ILE  23  -1.936  -8.890   7.933
  185   1HD1  ILE  23          HD11      ILE  23   1.700  -5.875   7.144
  186   2HD1  ILE  23          HD12      ILE  23   1.812  -7.634   7.189
  187   3HD1  ILE  23          HD13      ILE  23   1.080  -6.762   8.536
  188    H    ASN  24           HN       ASN  24  -3.961  -8.186   8.437
  189    HA   ASN  24           HA       ASN  24  -6.256  -6.994   9.120
  190   1HB   ASN  24          HB2       ASN  24  -6.172  -8.262  11.288
  191   2HB   ASN  24          HB1       ASN  24  -5.839  -9.221   9.850
  192   1HD2  ASN  24          HD21      ASN  24  -4.312 -10.642  10.207
  193   2HD2  ASN  24          HD22      ASN  24  -2.891 -10.401  11.160
  194    H    ASN  25           HN       ASN  25  -3.174  -6.063  10.346
  195    HA   ASN  25           HA       ASN  25  -4.369  -3.720  11.551
  196   1HB   ASN  25          HB2       ASN  25  -3.877  -5.924  13.177
  197   2HB   ASN  25          HB1       ASN  25  -2.501  -4.863  13.462
  198   1HD2  ASN  25          HD21      ASN  25  -5.989  -5.113  13.563
  199   2HD2  ASN  25          HD22      ASN  25  -6.240  -3.816  14.677
  200    H    ALA  26           HN       ALA  26  -2.568  -4.159   9.322
  201    HA   ALA  26           HA       ALA  26  -0.704  -2.119   9.832
  202   1HB   ALA  26          HB1       ALA  26   0.215  -4.869  10.368
  203   2HB   ALA  26          HB2       ALA  26   0.756  -3.336  11.051
  204   3HB   ALA  26          HB3       ALA  26   1.314  -3.836   9.455
  205    H    CYS  27           HN       CYS  27  -0.516  -1.189   7.901
  206    HA   CYS  27           HA       CYS  27  -0.880  -2.772   5.493
  207   1HB   CYS  27          HB2       CYS  27  -1.856  -0.384   6.045
  208   2HB   CYS  27          HB1       CYS  27  -0.298   0.159   5.433
  209    H    LYS  28           HN       LYS  28   0.860  -3.818   4.785
  210    HA   LYS  28           HA       LYS  28   3.519  -2.740   5.180
  211   1HB   LYS  28          HB2       LYS  28   2.350  -5.339   4.536
  212   2HB   LYS  28          HB1       LYS  28   3.792  -4.988   3.594
  213   1HG   LYS  28          HG2       LYS  28   3.800  -4.604   6.557
  214   2HG   LYS  28          HG1       LYS  28   4.016  -6.210   5.858
  215   1HD   LYS  28          HD2       LYS  28   5.935  -5.434   4.595
  216   2HD   LYS  28          HD1       LYS  28   5.690  -3.790   5.188
  217   1HE   LYS  28          HE2       LYS  28   5.834  -5.076   7.529
  218   2HE   LYS  28          HE1       LYS  28   6.824  -6.161   6.552
  219   1HZ   LYS  28          HZ1       LYS  28   7.352  -3.291   6.359
  220   2HZ   LYS  28          HZ2       LYS  28   8.425  -4.595   6.268
  221   3HZ   LYS  28          HZ3       LYS  28   7.843  -4.084   7.772
  222    H    CYS  29           HN       CYS  29   5.067  -2.618   3.393
  223    HA   CYS  29           HA       CYS  29   3.856  -2.035   0.796
  224   1HB   CYS  29          HB2       CYS  29   5.314  -0.180   2.547
  225   2HB   CYS  29          HB1       CYS  29   5.713  -0.104   0.839
  226    H    TYR  30           HN       TYR  30   5.476  -1.917  -0.969
  227    HA   TYR  30           HA       TYR  30   7.987  -3.296  -0.377
  228   1HB   TYR  30          HB2       TYR  30   6.341  -4.194  -2.721
  229   2HB   TYR  30          HB1       TYR  30   7.657  -5.031  -1.907
  230    HD1  TYR  30           HD1      TYR  30   4.125  -4.681  -2.181
  231    HD2  TYR  30           HD2      TYR  30   7.218  -5.849   0.495
  232    HE1  TYR  30           HE1      TYR  30   2.485  -5.932  -0.843
  233    HE2  TYR  30           HE2      TYR  30   5.587  -7.104   1.841
  234    HH   TYR  30           HH       TYR  30   3.186  -7.137   2.265
  235    HA   PRO  31           HA       PRO  31   8.916   0.185  -3.162
  236   1HB   PRO  31          HB2       PRO  31  11.599   0.176  -2.625
  237   2HB   PRO  31          HB1       PRO  31  10.402   1.023  -1.642
  238   1HG   PRO  31          HG2       PRO  31  11.717  -1.617  -1.173
  239   2HG   PRO  31          HG1       PRO  31  11.313  -0.340  -0.012
  240   1HD   PRO  31          HD2       PRO  31   9.827  -2.589  -0.297
  241   2HD   PRO  31          HD1       PRO  31   9.128  -1.029   0.179
  242    H    TYR  32           HN       TYR  32  11.303  -2.442  -2.843
  243    HA   TYR  32           HA       TYR  32  12.661  -3.383  -4.425
  244   1HB   TYR  32          HB2       TYR  32  11.508  -5.197  -5.012
  245   2HB   TYR  32          HB1       TYR  32  10.113  -4.405  -4.300
  246    HD1  TYR  32           HD1      TYR  32   8.217  -4.036  -5.598
  247    HD2  TYR  32           HD2      TYR  32  11.936  -4.755  -7.535
  248    HE1  TYR  32           HE1      TYR  32   7.063  -4.130  -7.767
  249    HE2  TYR  32           HE2      TYR  32  10.793  -4.848  -9.709
  250    HH   TYR  32           HH       TYR  32   7.430  -5.095 -10.009
  Start of MODEL    5
    1   1H    ALA   1           HT1      ALA   1 -12.059   5.100  11.000
    2   2H    ALA   1           HT2      ALA   1 -11.252   6.494  10.408
    3   3H    ALA   1           HT3      ALA   1 -10.348   5.118  10.896
    4    HA   ALA   1           HA       ALA   1 -12.340   4.982   8.758
    5   1HB   ALA   1          HB1       ALA   1  -9.567   6.074   8.668
    6   2HB   ALA   1          HB2       ALA   1 -11.019   6.611   7.822
    7   3HB   ALA   1          HB3       ALA   1 -10.179   5.153   7.294
    8    H    VAL   2           HN       VAL   2 -11.580   3.267   7.186
    9    HA   VAL   2           HA       VAL   2 -10.382   1.039   8.695
   10    HB   VAL   2           HB       VAL   2 -11.699  -0.090   6.517
   11   1HG1  VAL   2          HG11      VAL   2 -11.502  -0.598   9.115
   12   2HG1  VAL   2          HG12      VAL   2 -12.752  -1.326   8.107
   13   3HG1  VAL   2          HG13      VAL   2 -13.132   0.076   9.106
   14   1HG2  VAL   2          HG21      VAL   2 -13.503   1.972   7.780
   15   2HG2  VAL   2          HG22      VAL   2 -13.972   0.749   6.600
   16   3HG2  VAL   2          HG23      VAL   2 -12.867   2.043   6.137
   17    H    CYS   3           HN       CYS   3  -9.020  -0.429   7.562
   18    HA   CYS   3           HA       CYS   3  -7.239   0.841   5.750
   19   1HB   CYS   3          HB2       CYS   3  -6.587  -0.923   7.404
   20   2HB   CYS   3          HB1       CYS   3  -7.418  -2.107   6.400
   21    H    VAL   4           HN       VAL   4  -7.503   1.110   3.644
   22    HA   VAL   4           HA       VAL   4  -9.250  -0.761   2.187
   23    HB   VAL   4           HB       VAL   4  -8.478   2.025   1.323
   24   1HG1  VAL   4          HG11      VAL   4  -9.145   0.862  -0.578
   25   2HG1  VAL   4          HG12      VAL   4 -10.627   1.659  -0.052
   26   3HG1  VAL   4          HG13      VAL   4 -10.376  -0.052   0.293
   27   1HG2  VAL   4          HG21      VAL   4 -11.023   1.130   2.673
   28   2HG2  VAL   4          HG22      VAL   4 -10.674   2.750   2.069
   29   3HG2  VAL   4          HG23      VAL   4  -9.752   2.096   3.422
   30    H    TYR   5           HN       TYR   5  -8.551  -1.723   0.318
   31    HA   TYR   5           HA       TYR   5  -5.763  -2.085  -0.006
   32   1HB   TYR   5          HB2       TYR   5  -7.452  -3.809  -0.550
   33   2HB   TYR   5          HB1       TYR   5  -7.970  -2.822  -1.906
   34    HD1  TYR   5           HD1      TYR   5  -4.887  -4.410  -0.533
   35    HD2  TYR   5           HD2      TYR   5  -7.058  -3.228  -3.996
   36    HE1  TYR   5           HE1      TYR   5  -3.189  -5.479  -1.955
   37    HE2  TYR   5           HE2      TYR   5  -5.367  -4.295  -5.427
   38    HH   TYR   5           HH       TYR   5  -3.279  -6.502  -4.477
   39    H    ARG   6           HN       ARG   6  -8.188  -0.304  -1.871
   40    HA   ARG   6           HA       ARG   6  -6.414   0.542  -3.902
   41   1HB   ARG   6          HB2       ARG   6  -9.083   0.540  -3.662
   42   2HB   ARG   6          HB1       ARG   6  -8.759   2.214  -3.246
   43   1HG   ARG   6          HG2       ARG   6  -9.057   2.397  -5.500
   44   2HG   ARG   6          HG1       ARG   6  -7.311   2.154  -5.429
   45   1HD   ARG   6          HD2       ARG   6  -7.839  -0.339  -5.675
   46   2HD   ARG   6          HD1       ARG   6  -9.453   0.181  -6.158
   47    HE   ARG   6           HE       ARG   6  -7.030   0.372  -7.699
   48   1HH1  ARG   6          HH11      ARG   6 -10.250   1.641  -7.246
   49   2HH1  ARG   6          HH12      ARG   6 -10.382   2.226  -8.870
   50   1HH2  ARG   6          HH21      ARG   6  -7.202   1.142  -9.834
   51   2HH2  ARG   6          HH22      ARG   6  -8.652   1.943 -10.340
   52    H    THR   7           HN       THR   7  -7.473   1.969  -0.856
   53    HA   THR   7           HA       THR   7  -6.189   4.478  -1.265
   54    HB   THR   7           HB       THR   7  -6.883   3.233   1.393
   55    HG1  THR   7           HG1      THR   7  -8.598   4.749  -0.275
   56   1HG2  THR   7          HG21      THR   7  -5.720   5.266   1.715
   57   2HG2  THR   7          HG22      THR   7  -7.432   5.603   1.971
   58   3HG2  THR   7          HG23      THR   7  -6.656   6.077   0.460
   59    H    CYS   8           HN       CYS   8  -5.348   1.455   0.296
   60    HA   CYS   8           HA       CYS   8  -2.866   2.332   1.376
   61   1HB   CYS   8          HB2       CYS   8  -4.006   0.355   2.255
   62   2HB   CYS   8          HB1       CYS   8  -3.834  -0.456   0.703
   63    H    ASP   9           HN       ASP   9  -3.866   0.903  -1.666
   64    HA   ASP   9           HA       ASP   9  -1.295   0.337  -2.678
   65   1HB   ASP   9          HB2       ASP   9  -3.540  -0.509  -3.553
   66   2HB   ASP   9          HB1       ASP   9  -3.700   1.051  -4.354
   67    H    LYS  10           HN       LYS  10  -3.484   3.103  -3.196
   68    HA   LYS  10           HA       LYS  10  -1.720   4.563  -4.832
   69   1HB   LYS  10          HB2       LYS  10  -3.137   6.504  -4.324
   70   2HB   LYS  10          HB1       LYS  10  -4.098   5.087  -4.724
   71   1HG   LYS  10          HG2       LYS  10  -4.675   4.739  -2.443
   72   2HG   LYS  10          HG1       LYS  10  -3.520   5.957  -1.904
   73   1HD   LYS  10          HD2       LYS  10  -5.468   7.167  -1.826
   74   2HD   LYS  10          HD1       LYS  10  -4.932   7.527  -3.468
   75   1HE   LYS  10          HE2       LYS  10  -6.514   5.104  -3.366
   76   2HE   LYS  10          HE1       LYS  10  -7.392   6.481  -2.700
   77   1HZ   LYS  10          HZ1       LYS  10  -7.354   7.585  -4.692
   78   2HZ   LYS  10          HZ2       LYS  10  -7.467   5.986  -5.233
   79   3HZ   LYS  10          HZ3       LYS  10  -5.975   6.782  -5.257
   80    H    ASP  11           HN       ASP  11  -2.205   4.512  -1.333
   81    HA   ASP  11           HA       ASP  11  -0.569   6.670  -0.648
   82   1HB   ASP  11          HB2       ASP  11  -2.117   4.956   0.755
   83   2HB   ASP  11          HB1       ASP  11  -0.521   4.342   1.162
   84    H    CYS  12           HN       CYS  12   0.225   3.206  -0.805
   85    HA   CYS  12           HA       CYS  12   2.967   3.518  -0.236
   86   1HB   CYS  12          HB2       CYS  12   1.573   1.378  -0.161
   87   2HB   CYS  12          HB1       CYS  12   1.804   1.293  -1.904
   88    H    LYS  13           HN       LYS  13   1.181   3.352  -3.288
   89    HA   LYS  13           HA       LYS  13   3.351   3.316  -5.040
   90   1HB   LYS  13          HB2       LYS  13   0.502   3.765  -5.207
   91   2HB   LYS  13          HB1       LYS  13   1.358   4.865  -6.278
   92   1HG   LYS  13          HG2       LYS  13   0.931   3.010  -7.605
   93   2HG   LYS  13          HG1       LYS  13   2.607   2.785  -7.101
   94   1HD   LYS  13          HD2       LYS  13   1.836   1.281  -5.305
   95   2HD   LYS  13          HD1       LYS  13   0.179   1.471  -5.882
   96   1HE   LYS  13          HE2       LYS  13   2.487   0.301  -7.433
   97   2HE   LYS  13          HE1       LYS  13   1.154  -0.600  -6.712
   98   1HZ   LYS  13          HZ1       LYS  13   0.940   1.396  -8.901
   99   2HZ   LYS  13          HZ2       LYS  13  -0.371   0.609  -8.179
  100   3HZ   LYS  13          HZ3       LYS  13   0.771  -0.280  -9.054
  101    H    ARG  14           HN       ARG  14   1.757   5.998  -3.411
  102    HA   ARG  14           HA       ARG  14   3.592   7.891  -4.677
  103   1HB   ARG  14          HB2       ARG  14   1.169   8.362  -2.933
  104   2HB   ARG  14          HB1       ARG  14   2.155   9.629  -3.647
  105   1HG   ARG  14          HG2       ARG  14   1.119   7.637  -5.541
  106   2HG   ARG  14          HG1       ARG  14  -0.099   8.642  -4.753
  107   1HD   ARG  14          HD2       ARG  14   1.023  10.649  -5.495
  108   2HD   ARG  14          HD1       ARG  14   2.339   9.697  -6.181
  109    HE   ARG  14           HE       ARG  14   0.140   8.755  -7.458
  110   1HH1  ARG  14          HH11      ARG  14   1.463  11.950  -6.983
  111   2HH1  ARG  14          HH12      ARG  14   0.843  12.564  -8.478
  112   1HH2  ARG  14          HH21      ARG  14  -0.675   9.562  -9.425
  113   2HH2  ARG  14          HH22      ARG  14  -0.371  11.210  -9.864
  114    H    ARG  15           HN       ARG  15   4.313   5.915  -2.534
  115    HA   ARG  15           HA       ARG  15   5.352   7.851  -0.583
  116   1HB   ARG  15          HB2       ARG  15   3.890   5.363  -0.175
  117   2HB   ARG  15          HB1       ARG  15   5.413   5.395   0.702
  118   1HG   ARG  15          HG2       ARG  15   3.197   7.424   0.889
  119   2HG   ARG  15          HG1       ARG  15   3.627   6.215   2.100
  120   1HD   ARG  15          HD2       ARG  15   5.996   7.591   1.567
  121   2HD   ARG  15          HD1       ARG  15   4.748   8.834   1.632
  122    HE   ARG  15           HE       ARG  15   5.742   7.255   3.818
  123   1HH1  ARG  15          HH11      ARG  15   3.044   9.128   2.638
  124   2HH1  ARG  15          HH12      ARG  15   2.430   9.473   4.220
  125   1HH2  ARG  15          HH21      ARG  15   4.937   7.707   5.898
  126   2HH2  ARG  15          HH22      ARG  15   3.505   8.667   6.072
  127    H    GLY  16           HN       GLY  16   6.538   6.917  -3.092
  128   1HA   GLY  16          HA2       GLY  16   8.609   6.306  -3.863
  129   2HA   GLY  16          HA1       GLY  16   9.174   6.506  -2.212
  130    H    TYR  17           HN       TYR  17   6.765   4.220  -3.445
  131    HA   TYR  17           HA       TYR  17   8.617   2.028  -2.788
  132   1HB   TYR  17          HB2       TYR  17   5.751   2.389  -1.961
  133   2HB   TYR  17          HB1       TYR  17   6.445   0.777  -2.105
  134    HD1  TYR  17           HD1      TYR  17   6.232   3.770  -0.095
  135    HD2  TYR  17           HD2      TYR  17   8.392   0.149  -0.663
  136    HE1  TYR  17           HE1      TYR  17   7.169   3.981   2.169
  137    HE2  TYR  17           HE2      TYR  17   9.334   0.349   1.600
  138    HH   TYR  17           HH       TYR  17   8.856   1.427   3.705
  139    H    ARG  18           HN       ARG  18   7.653  -0.128  -3.684
  140    HA   ARG  18           HA       ARG  18   7.087   0.369  -6.506
  141   1HB   ARG  18          HB2       ARG  18   8.468  -1.722  -4.984
  142   2HB   ARG  18          HB1       ARG  18   7.442  -2.343  -6.271
  143   1HG   ARG  18          HG2       ARG  18   9.373  -0.125  -6.810
  144   2HG   ARG  18          HG1       ARG  18   9.913  -1.804  -6.777
  145   1HD   ARG  18          HD2       ARG  18   9.395  -1.638  -8.987
  146   2HD   ARG  18          HD1       ARG  18   7.816  -2.118  -8.367
  147    HE   ARG  18           HE       ARG  18   8.207   0.728  -8.459
  148   1HH1  ARG  18          HH11      ARG  18   7.207  -2.082 -10.271
  149   2HH1  ARG  18          HH12      ARG  18   6.231  -1.175 -11.378
  150   1HH2  ARG  18          HH21      ARG  18   6.925   1.922  -9.913
  151   2HH2  ARG  18          HH22      ARG  18   6.071   1.098 -11.175
  152    H    SER  19           HN       SER  19   5.826  -1.507  -3.769
  153    HA   SER  19           HA       SER  19   3.166  -1.347  -4.897
  154   1HB   SER  19          HB2       SER  19   2.737  -3.658  -5.119
  155   2HB   SER  19          HB1       SER  19   4.312  -3.426  -5.878
  156    HG   SER  19           HG       SER  19   4.676  -5.093  -4.565
  157    H    GLY  20           HN       GLY  20   1.529  -1.649  -3.383
  158   1HA   GLY  20          HA2       GLY  20   2.459  -2.032  -0.602
  159   2HA   GLY  20          HA1       GLY  20   1.259  -0.826  -1.042
  160    H    LYS  21           HN       LYS  21   0.832  -2.787   0.913
  161    HA   LYS  21           HA       LYS  21  -1.586  -3.965  -0.110
  162   1HB   LYS  21          HB2       LYS  21   0.295  -5.590  -0.690
  163   2HB   LYS  21          HB1       LYS  21   0.456  -5.860   1.040
  164   1HG   LYS  21          HG2       LYS  21  -1.585  -6.923   1.200
  165   2HG   LYS  21          HG1       LYS  21  -2.206  -6.176  -0.274
  166   1HD   LYS  21          HD2       LYS  21  -1.318  -7.765  -1.601
  167   2HD   LYS  21          HD1       LYS  21   0.165  -7.870  -0.651
  168   1HE   LYS  21          HE2       LYS  21  -1.672  -8.924   1.066
  169   2HE   LYS  21          HE1       LYS  21  -2.296  -9.455  -0.495
  170   1HZ   LYS  21          HZ1       LYS  21   0.563  -9.789  -0.052
  171   2HZ   LYS  21          HZ2       LYS  21  -0.536 -10.804  -0.841
  172   3HZ   LYS  21          HZ3       LYS  21  -0.458 -10.794   0.849
  173    H    CYS  22           HN       CYS  22  -3.080  -4.253   1.470
  174    HA   CYS  22           HA       CYS  22  -2.448  -3.230   4.085
  175   1HB   CYS  22          HB2       CYS  22  -4.572  -2.657   3.005
  176   2HB   CYS  22          HB1       CYS  22  -5.031  -4.356   2.983
  177    H    ILE  23           HN       ILE  23  -1.390  -4.523   5.450
  178    HA   ILE  23           HA       ILE  23  -2.437  -7.237   5.863
  179    HB   ILE  23           HB       ILE  23   0.477  -6.483   6.082
  180   1HG1  ILE  23          HG12      ILE  23  -0.379  -8.382   3.991
  181   2HG1  ILE  23          HG11      ILE  23  -0.873  -6.713   3.725
  182   1HG2  ILE  23          HG21      ILE  23   0.389  -8.312   7.404
  183   2HG2  ILE  23          HG22      ILE  23   0.435  -9.158   5.857
  184   3HG2  ILE  23          HG23      ILE  23  -1.106  -8.901   6.676
  185   1HD1  ILE  23          HD11      ILE  23   1.714  -7.943   3.417
  186   2HD1  ILE  23          HD12      ILE  23   1.788  -6.530   4.470
  187   3HD1  ILE  23          HD13      ILE  23   1.128  -6.383   2.841
  188    H    ASN  24           HN       ASN  24  -2.608  -7.931   7.969
  189    HA   ASN  24           HA       ASN  24  -2.994  -7.686  10.206
  190   1HB   ASN  24          HB2       ASN  24  -0.298  -6.372   9.926
  191   2HB   ASN  24          HB1       ASN  24  -1.051  -6.704  11.481
  192   1HD2  ASN  24          HD21      ASN  24   1.152  -7.815   9.384
  193   2HD2  ASN  24          HD22      ASN  24   1.103  -9.503   9.745
  194    H    ASN  25           HN       ASN  25  -4.519  -5.971   8.966
  195    HA   ASN  25           HA       ASN  25  -5.598  -3.959   8.991
  196   1HB   ASN  25          HB2       ASN  25  -6.161  -3.149  11.199
  197   2HB   ASN  25          HB1       ASN  25  -6.141  -4.909  11.224
  198   1HD2  ASN  25          HD21      ASN  25  -5.248  -5.726  12.959
  199   2HD2  ASN  25          HD22      ASN  25  -3.964  -5.026  13.879
  200    H    ALA  26           HN       ALA  26  -2.750  -3.849   8.342
  201    HA   ALA  26           HA       ALA  26  -2.369  -0.993   8.822
  202   1HB   ALA  26          HB1       ALA  26   0.190  -1.741   9.072
  203   2HB   ALA  26          HB2       ALA  26  -0.592  -3.144   9.799
  204   3HB   ALA  26          HB3       ALA  26  -0.891  -1.532  10.450
  205    H    CYS  27           HN       CYS  27  -1.798   0.039   7.015
  206    HA   CYS  27           HA       CYS  27  -1.580  -1.305   4.550
  207   1HB   CYS  27          HB2       CYS  27  -2.393   1.008   4.751
  208   2HB   CYS  27          HB1       CYS  27  -0.786   1.531   5.243
  209    H    LYS  28           HN       LYS  28   0.068  -2.635   4.126
  210    HA   LYS  28           HA       LYS  28   2.755  -2.003   5.036
  211   1HB   LYS  28          HB2       LYS  28   1.316  -4.388   4.398
  212   2HB   LYS  28          HB1       LYS  28   2.740  -4.310   3.371
  213   1HG   LYS  28          HG2       LYS  28   3.198  -3.688   6.208
  214   2HG   LYS  28          HG1       LYS  28   2.715  -5.348   5.856
  215   1HD   LYS  28          HD2       LYS  28   4.566  -5.683   4.421
  216   2HD   LYS  28          HD1       LYS  28   4.932  -3.958   4.372
  217   1HE   LYS  28          HE2       LYS  28   5.033  -4.558   7.063
  218   2HE   LYS  28          HE1       LYS  28   5.732  -5.986   6.301
  219   1HZ   LYS  28          HZ1       LYS  28   6.745  -3.262   6.419
  220   2HZ   LYS  28          HZ2       LYS  28   6.985  -4.080   4.958
  221   3HZ   LYS  28          HZ3       LYS  28   7.585  -4.731   6.400
  222    H    CYS  29           HN       CYS  29   4.591  -2.203   3.505
  223    HA   CYS  29           HA       CYS  29   3.889  -1.300   0.803
  224   1HB   CYS  29          HB2       CYS  29   5.438   0.078   2.839
  225   2HB   CYS  29          HB1       CYS  29   6.279  -0.038   1.302
  226    H    TYR  30           HN       TYR  30   5.690  -1.534  -0.768
  227    HA   TYR  30           HA       TYR  30   7.644  -3.587  -0.055
  228   1HB   TYR  30          HB2       TYR  30   5.763  -3.822  -2.411
  229   2HB   TYR  30          HB1       TYR  30   7.097  -4.913  -2.054
  230    HD1  TYR  30           HD1      TYR  30   3.706  -4.751  -1.967
  231    HD2  TYR  30           HD2      TYR  30   6.954  -5.649   0.630
  232    HE1  TYR  30           HE1      TYR  30   2.210  -6.122  -0.579
  233    HE2  TYR  30           HE2      TYR  30   5.466  -7.022   2.025
  234    HH   TYR  30           HH       TYR  30   2.644  -8.203   1.095
  235    HA   PRO  31           HA       PRO  31   9.861  -0.534  -2.552
  236   1HB   PRO  31          HB2       PRO  31  12.333  -1.216  -1.733
  237   2HB   PRO  31          HB1       PRO  31  11.237  -0.273  -0.725
  238   1HG   PRO  31          HG2       PRO  31  11.879  -3.186  -0.598
  239   2HG   PRO  31          HG1       PRO  31  11.683  -2.023   0.725
  240   1HD   PRO  31          HD2       PRO  31   9.734  -3.778  -0.055
  241   2HD   PRO  31          HD1       PRO  31   9.403  -2.219   0.723
  242    H    TYR  32           HN       TYR  32  10.982  -3.866  -2.172
  243    HA   TYR  32           HA       TYR  32  12.663  -4.577  -3.952
  244   1HB   TYR  32          HB2       TYR  32  11.577  -6.623  -4.341
  245   2HB   TYR  32          HB1       TYR  32  10.954  -6.075  -2.793
  246    HD1  TYR  32           HD1      TYR  32   8.849  -4.253  -3.393
  247    HD2  TYR  32           HD2      TYR  32   9.943  -7.794  -5.482
  248    HE1  TYR  32           HE1      TYR  32   6.552  -4.453  -4.243
  249    HE2  TYR  32           HE2      TYR  32   7.646  -8.004  -6.338
  250    HH   TYR  32           HH       TYR  32   5.657  -6.127  -6.752
  Start of MODEL    6
    1   1H    ALA   1           HT1      ALA   1 -14.953   4.692   9.526
    2   2H    ALA   1           HT2      ALA   1 -13.238   4.764   9.515
    3   3H    ALA   1           HT3      ALA   1 -14.044   3.558  10.434
    4    HA   ALA   1           HA       ALA   1 -14.945   2.639   8.409
    5   1HB   ALA   1          HB1       ALA   1 -15.022   4.242   6.793
    6   2HB   ALA   1          HB2       ALA   1 -13.504   3.462   6.345
    7   3HB   ALA   1          HB3       ALA   1 -13.485   4.961   7.275
    8    H    VAL   2           HN       VAL   2 -13.362   1.451   6.734
    9    HA   VAL   2           HA       VAL   2 -11.174   0.413   8.396
   10    HB   VAL   2           HB       VAL   2 -11.887  -1.017   5.909
   11   1HG1  VAL   2          HG11      VAL   2 -11.867  -2.863   7.834
   12   2HG1  VAL   2          HG12      VAL   2 -10.922  -1.611   8.640
   13   3HG1  VAL   2          HG13      VAL   2 -10.394  -2.249   7.083
   14   1HG2  VAL   2          HG21      VAL   2 -13.783  -2.163   7.233
   15   2HG2  VAL   2          HG22      VAL   2 -14.118  -0.619   6.450
   16   3HG2  VAL   2          HG23      VAL   2 -13.809  -0.679   8.185
   17    H    CYS   3           HN       CYS   3  -9.288  -0.456   7.121
   18    HA   CYS   3           HA       CYS   3  -8.123   1.702   5.652
   19   1HB   CYS   3          HB2       CYS   3  -6.787   0.322   7.171
   20   2HB   CYS   3          HB1       CYS   3  -7.103  -1.097   6.180
   21    H    VAL   4           HN       VAL   4  -8.335   2.068   3.548
   22    HA   VAL   4           HA       VAL   4  -9.505   0.101   1.807
   23    HB   VAL   4           HB       VAL   4  -8.297   2.711   0.921
   24   1HG1  VAL   4          HG11      VAL   4 -10.142   2.556  -0.761
   25   2HG1  VAL   4          HG12      VAL   4 -10.487   0.940  -0.145
   26   3HG1  VAL   4          HG13      VAL   4  -8.926   1.285  -0.888
   27   1HG2  VAL   4          HG21      VAL   4 -11.001   2.236   2.164
   28   2HG2  VAL   4          HG22      VAL   4 -10.569   3.688   1.260
   29   3HG2  VAL   4          HG23      VAL   4  -9.721   3.295   2.756
   30    H    TYR   5           HN       TYR   5  -8.516  -1.208   0.402
   31    HA   TYR   5           HA       TYR   5  -5.749  -1.690   0.587
   32   1HB   TYR   5          HB2       TYR   5  -7.891  -3.115  -0.234
   33   2HB   TYR   5          HB1       TYR   5  -7.186  -2.685  -1.783
   34    HD1  TYR   5           HD1      TYR   5  -5.014  -3.569  -2.452
   35    HD2  TYR   5           HD2      TYR   5  -6.739  -4.594   1.299
   36    HE1  TYR   5           HE1      TYR   5  -3.408  -5.418  -2.226
   37    HE2  TYR   5           HE2      TYR   5  -5.137  -6.444   1.538
   38    HH   TYR   5           HH       TYR   5  -3.271  -7.395   0.705
   39    H    ARG   6           HN       ARG   6  -7.691  -0.396  -2.105
   40    HA   ARG   6           HA       ARG   6  -5.477   0.133  -3.770
   41   1HB   ARG   6          HB2       ARG   6  -8.120  -0.024  -4.174
   42   2HB   ARG   6          HB1       ARG   6  -7.938   1.720  -4.119
   43   1HG   ARG   6          HG2       ARG   6  -5.888   0.938  -5.777
   44   2HG   ARG   6          HG1       ARG   6  -7.198  -0.166  -6.199
   45   1HD   ARG   6          HD2       ARG   6  -8.020   2.631  -5.884
   46   2HD   ARG   6          HD1       ARG   6  -6.881   2.351  -7.201
   47    HE   ARG   6           HE       ARG   6  -8.940   0.432  -7.308
   48   1HH1  ARG   6          HH11      ARG   6  -8.386   3.833  -7.863
   49   2HH1  ARG   6          HH12      ARG   6  -9.640   3.971  -9.049
   50   1HH2  ARG   6          HH21      ARG   6 -10.590   0.613  -8.867
   51   2HH2  ARG   6          HH22      ARG   6 -10.892   2.144  -9.619
   52    H    THR   7           HN       THR   7  -7.181   2.094  -1.393
   53    HA   THR   7           HA       THR   7  -5.959   4.550  -2.189
   54    HB   THR   7           HB       THR   7  -7.036   4.105   0.567
   55    HG1  THR   7           HG1      THR   7  -8.665   4.450  -1.723
   56   1HG2  THR   7          HG21      THR   7  -6.317   6.332   0.116
   57   2HG2  THR   7          HG22      THR   7  -8.080   6.312   0.142
   58   3HG2  THR   7          HG23      THR   7  -7.222   6.370  -1.397
   59    H    CYS   8           HN       CYS   8  -5.343   2.131   0.303
   60    HA   CYS   8           HA       CYS   8  -3.177   3.565   1.484
   61   1HB   CYS   8          HB2       CYS   8  -4.636   1.631   2.452
   62   2HB   CYS   8          HB1       CYS   8  -3.470   0.587   1.652
   63    H    ASP   9           HN       ASP   9  -3.515   1.216  -1.081
   64    HA   ASP   9           HA       ASP   9  -0.774   0.587  -1.366
   65   1HB   ASP   9          HB2       ASP   9  -2.717  -0.740  -2.288
   66   2HB   ASP   9          HB1       ASP   9  -2.871   0.491  -3.537
   67    H    LYS  10           HN       LYS  10  -2.900   2.861  -3.117
   68    HA   LYS  10           HA       LYS  10  -0.839   3.855  -4.776
   69   1HB   LYS  10          HB2       LYS  10  -2.395   5.678  -5.315
   70   2HB   LYS  10          HB1       LYS  10  -3.164   4.103  -5.416
   71   1HG   LYS  10          HG2       LYS  10  -4.721   4.707  -3.964
   72   2HG   LYS  10          HG1       LYS  10  -3.507   5.204  -2.789
   73   1HD   LYS  10          HD2       LYS  10  -3.887   7.035  -5.060
   74   2HD   LYS  10          HD1       LYS  10  -5.266   6.888  -3.968
   75   1HE   LYS  10          HE2       LYS  10  -4.147   7.816  -2.208
   76   2HE   LYS  10          HE1       LYS  10  -2.576   7.239  -2.762
   77   1HZ   LYS  10          HZ1       LYS  10  -2.238   9.073  -3.988
   78   2HZ   LYS  10          HZ2       LYS  10  -3.375   9.773  -2.949
   79   3HZ   LYS  10          HZ3       LYS  10  -3.856   9.204  -4.467
   80    H    ASP  11           HN       ASP  11  -2.129   4.920  -1.662
   81    HA   ASP  11           HA       ASP  11  -0.743   7.358  -1.504
   82   1HB   ASP  11          HB2       ASP  11  -2.566   6.128   0.070
   83   2HB   ASP  11          HB1       ASP  11  -1.108   5.867   1.013
   84    H    CYS  12           HN       CYS  12   0.084   4.155  -0.203
   85    HA   CYS  12           HA       CYS  12   2.624   4.914   0.779
   86   1HB   CYS  12          HB2       CYS  12   1.332   2.873   1.470
   87   2HB   CYS  12          HB1       CYS  12   1.763   2.145  -0.074
   88    H    LYS  13           HN       LYS  13   1.581   3.417  -2.261
   89    HA   LYS  13           HA       LYS  13   4.103   2.945  -3.363
   90   1HB   LYS  13          HB2       LYS  13   1.364   3.339  -4.478
   91   2HB   LYS  13          HB1       LYS  13   2.727   3.371  -5.589
   92   1HG   LYS  13          HG2       LYS  13   3.225   1.157  -5.263
   93   2HG   LYS  13          HG1       LYS  13   2.496   1.118  -3.656
   94   1HD   LYS  13          HD2       LYS  13   0.963  -0.074  -4.914
   95   2HD   LYS  13          HD1       LYS  13   0.277   1.552  -4.939
   96   1HE   LYS  13          HE2       LYS  13   1.941   1.597  -7.107
   97   2HE   LYS  13          HE1       LYS  13   1.367  -0.070  -7.119
   98   1HZ   LYS  13          HZ1       LYS  13  -0.910   1.246  -6.702
   99   2HZ   LYS  13          HZ2       LYS  13  -0.339   0.834  -8.239
  100   3HZ   LYS  13          HZ3       LYS  13  -0.079   2.391  -7.631
  101    H    ARG  14           HN       ARG  14   2.135   5.857  -3.282
  102    HA   ARG  14           HA       ARG  14   3.697   7.348  -5.122
  103   1HB   ARG  14          HB2       ARG  14   1.281   7.737  -4.000
  104   2HB   ARG  14          HB1       ARG  14   2.247   8.796  -2.982
  105   1HG   ARG  14          HG2       ARG  14   3.144   9.742  -5.208
  106   2HG   ARG  14          HG1       ARG  14   1.730   8.963  -5.921
  107   1HD   ARG  14          HD2       ARG  14   1.154  11.229  -5.427
  108   2HD   ARG  14          HD1       ARG  14   0.314  10.190  -4.277
  109    HE   ARG  14           HE       ARG  14   2.829  11.154  -3.295
  110   1HH1  ARG  14          HH11      ARG  14  -0.553  11.925  -3.679
  111   2HH1  ARG  14          HH12      ARG  14  -0.575  13.047  -2.361
  112   1HH2  ARG  14          HH21      ARG  14   2.802  12.630  -1.561
  113   2HH2  ARG  14          HH22      ARG  14   1.329  13.448  -1.158
  114    H    ARG  15           HN       ARG  15   4.200   6.445  -1.856
  115    HA   ARG  15           HA       ARG  15   5.811   8.654  -1.060
  116   1HB   ARG  15          HB2       ARG  15   4.640   6.763   0.353
  117   2HB   ARG  15          HB1       ARG  15   6.168   5.927   0.115
  118   1HG   ARG  15          HG2       ARG  15   7.271   7.261   1.542
  119   2HG   ARG  15          HG1       ARG  15   6.410   8.709   1.017
  120   1HD   ARG  15          HD2       ARG  15   4.419   7.355   2.255
  121   2HD   ARG  15          HD1       ARG  15   5.811   6.833   3.204
  122    HE   ARG  15           HE       ARG  15   5.885   9.629   2.885
  123   1HH1  ARG  15          HH11      ARG  15   4.089   7.152   4.563
  124   2HH1  ARG  15          HH12      ARG  15   3.644   8.189   5.877
  125   1HH2  ARG  15          HH21      ARG  15   5.302  10.993   4.612
  126   2HH2  ARG  15          HH22      ARG  15   4.333  10.370   5.904
  127    H    GLY  16           HN       GLY  16   6.657   5.314  -1.984
  128   1HA   GLY  16          HA2       GLY  16   8.713   5.898  -3.719
  129   2HA   GLY  16          HA1       GLY  16   9.443   5.870  -2.122
  130    H    TYR  17           HN       TYR  17   6.793   3.853  -3.309
  131    HA   TYR  17           HA       TYR  17   8.583   1.524  -3.180
  132   1HB   TYR  17          HB2       TYR  17   5.766   1.652  -2.085
  133   2HB   TYR  17          HB1       TYR  17   6.798   0.227  -2.108
  134    HD1  TYR  17           HD1      TYR  17   8.585  -0.039  -0.513
  135    HD2  TYR  17           HD2      TYR  17   6.239   3.509  -0.555
  136    HE1  TYR  17           HE1      TYR  17   9.500   0.585   1.683
  137    HE2  TYR  17           HE2      TYR  17   7.148   4.144   1.640
  138    HH   TYR  17           HH       TYR  17   8.195   3.148   3.557
  139    H    ARG  18           HN       ARG  18   7.368  -0.466  -4.128
  140    HA   ARG  18           HA       ARG  18   6.351   0.366  -6.740
  141   1HB   ARG  18          HB2       ARG  18   7.841  -1.956  -5.705
  142   2HB   ARG  18          HB1       ARG  18   6.614  -2.345  -6.904
  143   1HG   ARG  18          HG2       ARG  18   7.940  -0.151  -7.965
  144   2HG   ARG  18          HG1       ARG  18   9.215  -1.134  -7.243
  145   1HD   ARG  18          HD2       ARG  18   9.138  -2.233  -9.206
  146   2HD   ARG  18          HD1       ARG  18   7.752  -3.043  -8.478
  147    HE   ARG  18           HE       ARG  18   7.075  -0.624  -9.875
  148   1HH1  ARG  18          HH11      ARG  18   7.615  -4.057 -10.197
  149   2HH1  ARG  18          HH12      ARG  18   6.651  -4.201 -11.628
  150   1HH2  ARG  18          HH21      ARG  18   5.804  -0.812 -11.756
  151   2HH2  ARG  18          HH22      ARG  18   5.623  -2.359 -12.513
  152    H    SER  19           HN       SER  19   5.495  -1.630  -3.960
  153    HA   SER  19           HA       SER  19   2.692  -1.435  -4.709
  154   1HB   SER  19          HB2       SER  19   2.746  -4.069  -3.990
  155   2HB   SER  19          HB1       SER  19   2.737  -3.493  -5.657
  156    HG   SER  19           HG       SER  19   5.135  -3.879  -4.209
  157    H    GLY  20           HN       GLY  20   1.403  -2.800  -2.913
  158   1HA   GLY  20          HA2       GLY  20   2.522  -2.997  -0.331
  159   2HA   GLY  20          HA1       GLY  20   1.753  -1.427  -0.502
  160    H    LYS  21           HN       LYS  21   0.944  -3.371   1.355
  161    HA   LYS  21           HA       LYS  21  -1.817  -3.727   0.490
  162   1HB   LYS  21          HB2       LYS  21  -0.188  -6.008   1.624
  163   2HB   LYS  21          HB1       LYS  21  -1.901  -6.056   1.233
  164   1HG   LYS  21          HG2       LYS  21  -1.110  -7.009  -0.653
  165   2HG   LYS  21          HG1       LYS  21  -0.960  -5.323  -1.150
  166   1HD   LYS  21          HD2       LYS  21   1.307  -5.353  -1.037
  167   2HD   LYS  21          HD1       LYS  21   1.330  -6.480   0.321
  168   1HE   LYS  21          HE2       LYS  21   2.198  -7.742  -1.425
  169   2HE   LYS  21          HE1       LYS  21   0.500  -8.217  -1.391
  170   1HZ   LYS  21          HZ1       LYS  21   1.561  -7.652  -3.633
  171   2HZ   LYS  21          HZ2       LYS  21   1.424  -6.037  -3.152
  172   3HZ   LYS  21          HZ3       LYS  21   0.039  -6.997  -3.290
  173    H    CYS  22           HN       CYS  22  -3.310  -3.758   2.176
  174    HA   CYS  22           HA       CYS  22  -2.217  -2.920   4.768
  175   1HB   CYS  22          HB2       CYS  22  -3.988  -1.579   3.339
  176   2HB   CYS  22          HB1       CYS  22  -5.122  -2.690   4.100
  177    H    ILE  23           HN       ILE  23  -1.868  -4.730   5.935
  178    HA   ILE  23           HA       ILE  23  -4.201  -6.419   6.485
  179    HB   ILE  23           HB       ILE  23  -1.400  -7.492   6.161
  180   1HG1  ILE  23          HG12      ILE  23  -2.363  -6.740   4.005
  181   2HG1  ILE  23          HG11      ILE  23  -2.153  -8.487   4.073
  182   1HG2  ILE  23          HG21      ILE  23  -2.512  -8.898   7.651
  183   2HG2  ILE  23          HG22      ILE  23  -2.743  -9.681   6.087
  184   3HG2  ILE  23          HG23      ILE  23  -4.050  -8.737   6.802
  185   1HD1  ILE  23          HD11      ILE  23  -4.439  -8.872   4.244
  186   2HD1  ILE  23          HD12      ILE  23  -4.313  -7.558   3.074
  187   3HD1  ILE  23          HD13      ILE  23  -4.777  -7.214   4.741
  188    H    ASN  24           HN       ASN  24  -4.082  -7.563   8.539
  189    HA   ASN  24           HA       ASN  24  -3.949  -7.432  10.816
  190   1HB   ASN  24          HB2       ASN  24  -1.765  -7.777  11.694
  191   2HB   ASN  24          HB1       ASN  24  -1.882  -8.616  10.157
  192   1HD2  ASN  24          HD21      ASN  24  -0.335  -8.287   8.718
  193   2HD2  ASN  24          HD22      ASN  24   0.825  -7.007   8.762
  194    H    ASN  25           HN       ASN  25  -4.322  -4.952   9.449
  195    HA   ASN  25           HA       ASN  25  -4.627  -2.753   9.982
  196   1HB   ASN  25          HB2       ASN  25  -4.456  -4.031  12.463
  197   2HB   ASN  25          HB1       ASN  25  -3.340  -2.675  12.584
  198   1HD2  ASN  25          HD21      ASN  25  -6.557  -3.663  12.695
  199   2HD2  ASN  25          HD22      ASN  25  -7.296  -2.103  12.767
  200    H    ALA  26           HN       ALA  26  -2.325  -3.598   8.593
  201    HA   ALA  26           HA       ALA  26  -0.620  -1.301   9.071
  202   1HB   ALA  26          HB1       ALA  26   1.432  -2.517   9.249
  203   2HB   ALA  26          HB2       ALA  26   0.604  -4.053   8.998
  204   3HB   ALA  26          HB3       ALA  26   0.326  -3.133  10.477
  205    H    CYS  27           HN       CYS  27   0.100  -0.459   7.200
  206    HA   CYS  27           HA       CYS  27  -0.603  -1.812   4.736
  207   1HB   CYS  27          HB2       CYS  27  -0.791   0.764   5.496
  208   2HB   CYS  27          HB1       CYS  27   0.775   0.807   4.701
  209    H    LYS  28           HN       LYS  28   0.938  -3.480   4.665
  210    HA   LYS  28           HA       LYS  28   3.743  -2.954   4.847
  211   1HB   LYS  28          HB2       LYS  28   2.278  -5.194   5.121
  212   2HB   LYS  28          HB1       LYS  28   2.798  -5.395   3.454
  213   1HG   LYS  28          HG2       LYS  28   4.430  -6.504   4.665
  214   2HG   LYS  28          HG1       LYS  28   5.160  -4.928   4.354
  215   1HD   LYS  28          HD2       LYS  28   4.004  -4.352   6.669
  216   2HD   LYS  28          HD1       LYS  28   4.155  -6.095   6.897
  217   1HE   LYS  28          HE2       LYS  28   6.556  -4.744   5.863
  218   2HE   LYS  28          HE1       LYS  28   6.089  -4.297   7.503
  219   1HZ   LYS  28          HZ1       LYS  28   6.384  -6.442   8.262
  220   2HZ   LYS  28          HZ2       LYS  28   7.647  -6.295   7.146
  221   3HZ   LYS  28          HZ3       LYS  28   6.241  -7.135   6.725
  222    H    CYS  29           HN       CYS  29   4.850  -1.897   3.352
  223    HA   CYS  29           HA       CYS  29   3.944  -1.948   0.576
  224   1HB   CYS  29          HB2       CYS  29   5.130   0.021   2.248
  225   2HB   CYS  29          HB1       CYS  29   6.214  -0.276   0.896
  226    H    TYR  30           HN       TYR  30   5.580  -2.136  -1.146
  227    HA   TYR  30           HA       TYR  30   7.940  -3.698  -0.399
  228   1HB   TYR  30          HB2       TYR  30   5.992  -4.559  -2.547
  229   2HB   TYR  30          HB1       TYR  30   7.483  -5.383  -2.103
  230    HD1  TYR  30           HD1      TYR  30   4.222  -4.293  -0.655
  231    HD2  TYR  30           HD2      TYR  30   7.416  -7.101  -0.540
  232    HE1  TYR  30           HE1      TYR  30   2.985  -5.623   1.001
  233    HE2  TYR  30           HE2      TYR  30   6.187  -8.440   1.117
  234    HH   TYR  30           HH       TYR  30   2.973  -8.122   1.719
  235    HA   PRO  31           HA       PRO  31   9.606  -0.852  -3.417
  236   1HB   PRO  31          HB2       PRO  31  12.171  -1.684  -3.327
  237   2HB   PRO  31          HB1       PRO  31  11.441  -0.740  -2.023
  238   1HG   PRO  31          HG2       PRO  31  11.897  -3.694  -2.196
  239   2HG   PRO  31          HG1       PRO  31  12.165  -2.598  -0.827
  240   1HD   PRO  31          HD2       PRO  31   9.963  -4.182  -1.054
  241   2HD   PRO  31          HD1       PRO  31   9.950  -2.617  -0.217
  242    H    TYR  32           HN       TYR  32  11.553  -1.329  -5.185
  243    HA   TYR  32           HA       TYR  32  10.291  -2.817  -7.210
  244   1HB   TYR  32          HB2       TYR  32  12.397  -1.004  -7.066
  245   2HB   TYR  32          HB1       TYR  32  13.153  -2.489  -7.634
  246    HD1  TYR  32           HD1      TYR  32  11.619   0.444  -8.674
  247    HD2  TYR  32           HD2      TYR  32  11.700  -3.720  -9.544
  248    HE1  TYR  32           HE1      TYR  32  10.803   0.909 -10.947
  249    HE2  TYR  32           HE2      TYR  32  10.884  -3.267 -11.819
  250    HH   TYR  32           HH       TYR  32   9.454  -1.255 -12.895
  Start of MODEL    7
    1   1H    ALA   1           HT1      ALA   1 -13.926   5.543   9.771
    2   2H    ALA   1           HT2      ALA   1 -12.414   5.771  10.550
    3   3H    ALA   1           HT3      ALA   1 -13.187   4.239  10.603
    4    HA   ALA   1           HA       ALA   1 -13.059   4.350   8.087
    5   1HB   ALA   1          HB1       ALA   1 -12.078   6.813   8.541
    6   2HB   ALA   1          HB2       ALA   1 -11.699   5.860   7.106
    7   3HB   ALA   1          HB3       ALA   1 -10.575   5.893   8.465
    8    H    VAL   2           HN       VAL   2 -11.766   2.726   7.311
    9    HA   VAL   2           HA       VAL   2  -9.721   1.673   9.157
   10    HB   VAL   2           HB       VAL   2 -11.013  -0.300   7.394
   11   1HG1  VAL   2          HG11      VAL   2  -9.361  -0.341   9.586
   12   2HG1  VAL   2          HG12      VAL   2 -10.238  -1.723   8.930
   13   3HG1  VAL   2          HG13      VAL   2 -10.924  -0.795  10.264
   14   1HG2  VAL   2          HG21      VAL   2 -12.909  -0.547   9.110
   15   2HG2  VAL   2          HG22      VAL   2 -13.056   0.722   7.894
   16   3HG2  VAL   2          HG23      VAL   2 -12.556   1.128   9.536
   17    H    CYS   3           HN       CYS   3  -8.204   0.137   8.042
   18    HA   CYS   3           HA       CYS   3  -6.955   1.473   5.878
   19   1HB   CYS   3          HB2       CYS   3  -5.655   0.202   7.501
   20   2HB   CYS   3          HB1       CYS   3  -6.464  -1.285   7.022
   21    H    VAL   4           HN       VAL   4  -7.261   1.292   3.758
   22    HA   VAL   4           HA       VAL   4  -8.863  -0.976   2.774
   23    HB   VAL   4           HB       VAL   4  -8.561   1.715   1.441
   24   1HG1  VAL   4          HG11      VAL   4 -10.293  -0.689   0.931
   25   2HG1  VAL   4          HG12      VAL   4  -9.159   0.097  -0.166
   26   3HG1  VAL   4          HG13      VAL   4 -10.664   0.905   0.273
   27   1HG2  VAL   4          HG21      VAL   4 -10.907   0.735   3.060
   28   2HG2  VAL   4          HG22      VAL   4 -10.714   2.316   2.303
   29   3HG2  VAL   4          HG23      VAL   4  -9.687   1.858   3.661
   30    H    TYR   5           HN       TYR   5  -8.297  -1.942   0.791
   31    HA   TYR   5           HA       TYR   5  -5.540  -2.287   0.367
   32   1HB   TYR   5          HB2       TYR   5  -7.646  -3.767  -0.262
   33   2HB   TYR   5          HB1       TYR   5  -7.461  -2.939  -1.801
   34    HD1  TYR   5           HD1      TYR   5  -5.676  -5.081   0.643
   35    HD2  TYR   5           HD2      TYR   5  -5.817  -3.608  -3.346
   36    HE1  TYR   5           HE1      TYR   5  -3.921  -6.678  -0.003
   37    HE2  TYR   5           HE2      TYR   5  -4.063  -5.201  -4.003
   38    HH   TYR   5           HH       TYR   5  -2.162  -6.452  -2.787
   39    H    ARG   6           HN       ARG   6  -7.980  -0.632  -1.630
   40    HA   ARG   6           HA       ARG   6  -6.188   0.288  -3.586
   41   1HB   ARG   6          HB2       ARG   6  -8.852   0.233  -3.405
   42   2HB   ARG   6          HB1       ARG   6  -8.581   1.907  -2.958
   43   1HG   ARG   6          HG2       ARG   6  -7.827   2.493  -5.031
   44   2HG   ARG   6          HG1       ARG   6  -7.232   0.871  -5.390
   45   1HD   ARG   6          HD2       ARG   6 -10.161   1.251  -5.049
   46   2HD   ARG   6          HD1       ARG   6  -9.414   1.847  -6.531
   47    HE   ARG   6           HE       ARG   6  -8.483  -0.708  -6.267
   48   1HH1  ARG   6          HH11      ARG   6 -11.646   0.759  -6.420
   49   2HH1  ARG   6          HH12      ARG   6 -12.389  -0.623  -7.151
   50   1HH2  ARG   6          HH21      ARG   6  -9.458  -2.526  -7.230
   51   2HH2  ARG   6          HH22      ARG   6 -11.147  -2.489  -7.611
   52    H    THR   7           HN       THR   7  -7.200   1.621  -0.505
   53    HA   THR   7           HA       THR   7  -6.034   4.196  -0.922
   54    HB   THR   7           HB       THR   7  -6.734   2.847   1.689
   55    HG1  THR   7           HG1      THR   7  -8.300   4.342  -0.123
   56   1HG2  THR   7          HG21      THR   7  -7.089   5.137   2.505
   57   2HG2  THR   7          HG22      THR   7  -6.439   5.755   0.987
   58   3HG2  THR   7          HG23      THR   7  -5.411   4.817   2.070
   59    H    CYS   8           HN       CYS   8  -5.059   1.207   0.646
   60    HA   CYS   8           HA       CYS   8  -2.590   2.190   1.663
   61   1HB   CYS   8          HB2       CYS   8  -3.649   0.189   2.595
   62   2HB   CYS   8          HB1       CYS   8  -3.463  -0.644   1.056
   63    H    ASP   9           HN       ASP   9  -3.568   0.591  -1.314
   64    HA   ASP   9           HA       ASP   9  -0.980   0.159  -2.351
   65   1HB   ASP   9          HB2       ASP   9  -3.444  -0.636  -3.105
   66   2HB   ASP   9          HB1       ASP   9  -3.187   0.666  -4.262
   67    H    LYS  10           HN       LYS  10  -3.374   2.724  -2.973
   68    HA   LYS  10           HA       LYS  10  -1.785   4.220  -4.732
   69   1HB   LYS  10          HB2       LYS  10  -3.319   6.054  -4.327
   70   2HB   LYS  10          HB1       LYS  10  -4.215   4.548  -4.460
   71   1HG   LYS  10          HG2       LYS  10  -4.415   4.440  -2.034
   72   2HG   LYS  10          HG1       LYS  10  -3.493   5.938  -1.887
   73   1HD   LYS  10          HD2       LYS  10  -5.877   6.379  -1.692
   74   2HD   LYS  10          HD1       LYS  10  -5.228   7.121  -3.155
   75   1HE   LYS  10          HE2       LYS  10  -6.079   4.486  -3.797
   76   2HE   LYS  10          HE1       LYS  10  -7.374   5.276  -2.899
   77   1HZ   LYS  10          HZ1       LYS  10  -7.895   6.097  -4.903
   78   2HZ   LYS  10          HZ2       LYS  10  -6.353   5.838  -5.548
   79   3HZ   LYS  10          HZ3       LYS  10  -6.654   7.207  -4.602
   80    H    ASP  11           HN       ASP  11  -2.173   4.445  -1.207
   81    HA   ASP  11           HA       ASP  11  -0.574   6.693  -0.782
   82   1HB   ASP  11          HB2       ASP  11  -2.026   5.069   0.824
   83   2HB   ASP  11          HB1       ASP  11  -0.399   4.556   1.240
   84    H    CYS  12           HN       CYS  12   0.300   3.251  -0.692
   85    HA   CYS  12           HA       CYS  12   3.042   3.637  -0.200
   86   1HB   CYS  12          HB2       CYS  12   1.699   1.482   0.016
   87   2HB   CYS  12          HB1       CYS  12   1.874   1.313  -1.727
   88    H    LYS  13           HN       LYS  13   1.235   3.239  -3.229
   89    HA   LYS  13           HA       LYS  13   3.428   3.191  -4.967
   90   1HB   LYS  13          HB2       LYS  13   0.584   3.316  -5.188
   91   2HB   LYS  13          HB1       LYS  13   1.273   4.527  -6.259
   92   1HG   LYS  13          HG2       LYS  13   1.112   2.635  -7.590
   93   2HG   LYS  13          HG1       LYS  13   2.803   2.645  -7.086
   94   1HD   LYS  13          HD2       LYS  13   2.575   0.782  -5.819
   95   2HD   LYS  13          HD1       LYS  13   0.930   1.191  -5.327
   96   1HE   LYS  13          HE2       LYS  13   0.740  -0.735  -6.677
   97   2HE   LYS  13          HE1       LYS  13   0.223   0.615  -7.685
   98   1HZ   LYS  13          HZ1       LYS  13   2.070   0.469  -8.993
   99   2HZ   LYS  13          HZ2       LYS  13   1.894  -1.161  -8.578
  100   3HZ   LYS  13          HZ3       LYS  13   3.036  -0.204  -7.778
  101    H    ARG  14           HN       ARG  14   1.709   5.869  -3.484
  102    HA   ARG  14           HA       ARG  14   3.253   7.805  -5.015
  103   1HB   ARG  14          HB2       ARG  14   0.757   7.835  -3.505
  104   2HB   ARG  14          HB1       ARG  14   1.771   9.230  -3.163
  105   1HG   ARG  14          HG2       ARG  14   1.548  10.083  -5.253
  106   2HG   ARG  14          HG1       ARG  14   1.390   8.495  -6.006
  107   1HD   ARG  14          HD2       ARG  14  -0.792   9.230  -4.181
  108   2HD   ARG  14          HD1       ARG  14  -0.659  10.236  -5.622
  109    HE   ARG  14           HE       ARG  14  -1.497   7.493  -5.494
  110   1HH1  ARG  14          HH11      ARG  14  -0.092   9.953  -7.531
  111   2HH1  ARG  14          HH12      ARG  14  -0.598   9.198  -9.005
  112   1HH2  ARG  14          HH21      ARG  14  -2.165   6.500  -7.431
  113   2HH2  ARG  14          HH22      ARG  14  -1.776   7.238  -8.949
  114    H    ARG  15           HN       ARG  15   4.116   5.963  -2.582
  115    HA   ARG  15           HA       ARG  15   5.420   8.116  -1.070
  116   1HB   ARG  15          HB2       ARG  15   3.861   6.172  -0.037
  117   2HB   ARG  15          HB1       ARG  15   5.424   5.370   0.031
  118   1HG   ARG  15          HG2       ARG  15   6.206   6.729   1.654
  119   2HG   ARG  15          HG1       ARG  15   5.336   8.138   1.046
  120   1HD   ARG  15          HD2       ARG  15   3.803   7.846   2.624
  121   2HD   ARG  15          HD1       ARG  15   3.398   6.279   1.922
  122    HE   ARG  15           HE       ARG  15   5.561   5.710   3.422
  123   1HH1  ARG  15          HH11      ARG  15   2.591   7.402   4.128
  124   2HH1  ARG  15          HH12      ARG  15   2.583   6.947   5.798
  125   1HH2  ARG  15          HH21      ARG  15   5.550   5.109   5.617
  126   2HH2  ARG  15          HH22      ARG  15   4.263   5.645   6.644
  127    H    GLY  16           HN       GLY  16   6.319   7.039  -3.622
  128   1HA   GLY  16          HA2       GLY  16   8.290   6.421  -4.618
  129   2HA   GLY  16          HA1       GLY  16   9.060   6.797  -3.084
  130    H    TYR  17           HN       TYR  17   6.666   4.299  -3.903
  131    HA   TYR  17           HA       TYR  17   8.677   2.269  -3.186
  132   1HB   TYR  17          HB2       TYR  17   5.801   2.448  -2.295
  133   2HB   TYR  17          HB1       TYR  17   6.721   0.948  -2.219
  134    HD1  TYR  17           HD1      TYR  17   9.266   1.555  -1.198
  135    HD2  TYR  17           HD2      TYR  17   5.569   3.420  -0.225
  136    HE1  TYR  17           HE1      TYR  17  10.187   2.228   0.980
  137    HE2  TYR  17           HE2      TYR  17   6.480   4.100   1.957
  138    HH   TYR  17           HH       TYR  17   8.731   4.518   2.963
  139    H    ARG  18           HN       ARG  18   7.886   0.014  -3.882
  140    HA   ARG  18           HA       ARG  18   7.255   0.190  -6.701
  141   1HB   ARG  18          HB2       ARG  18   8.786  -1.539  -5.098
  142   2HB   ARG  18          HB1       ARG  18   7.464  -2.515  -5.724
  143   1HG   ARG  18          HG2       ARG  18   9.466  -2.575  -7.151
  144   2HG   ARG  18          HG1       ARG  18   8.048  -1.943  -7.988
  145   1HD   ARG  18          HD2       ARG  18   9.342   0.263  -6.804
  146   2HD   ARG  18          HD1       ARG  18  10.600  -0.714  -7.562
  147    HE   ARG  18           HE       ARG  18   8.523  -0.472  -9.394
  148   1HH1  ARG  18          HH11      ARG  18  10.820   1.602  -7.781
  149   2HH1  ARG  18          HH12      ARG  18  10.872   2.756  -9.070
  150   1HH2  ARG  18          HH21      ARG  18   8.591   1.045 -11.091
  151   2HH2  ARG  18          HH22      ARG  18   9.607   2.441 -10.949
  152    H    SER  19           HN       SER  19   5.869  -1.363  -3.816
  153    HA   SER  19           HA       SER  19   3.217  -1.081  -4.868
  154   1HB   SER  19          HB2       SER  19   2.752  -3.592  -4.697
  155   2HB   SER  19          HB1       SER  19   3.660  -3.050  -6.108
  156    HG   SER  19           HG       SER  19   4.994  -4.555  -5.460
  157    H    GLY  20           HN       GLY  20   1.579  -1.582  -3.329
  158   1HA   GLY  20          HA2       GLY  20   2.613  -2.009  -0.593
  159   2HA   GLY  20          HA1       GLY  20   1.385  -0.805  -0.953
  160    H    LYS  21           HN       LYS  21   1.040  -2.822   0.951
  161    HA   LYS  21           HA       LYS  21  -1.362  -4.055  -0.084
  162   1HB   LYS  21          HB2       LYS  21   0.562  -5.639  -0.593
  163   2HB   LYS  21          HB1       LYS  21   0.730  -5.846   1.145
  164   1HG   LYS  21          HG2       LYS  21  -1.224  -7.023   1.336
  165   2HG   LYS  21          HG1       LYS  21  -1.940  -6.277  -0.095
  166   1HD   LYS  21          HD2       LYS  21  -1.361  -8.083  -1.259
  167   2HD   LYS  21          HD1       LYS  21   0.331  -7.659  -0.999
  168   1HE   LYS  21          HE2       LYS  21   0.480  -9.637   0.036
  169   2HE   LYS  21          HE1       LYS  21  -0.343  -8.839   1.375
  170   1HZ   LYS  21          HZ1       LYS  21  -1.233 -11.059   0.226
  171   2HZ   LYS  21          HZ2       LYS  21  -2.055  -9.915  -0.711
  172   3HZ   LYS  21          HZ3       LYS  21  -2.253  -9.931   0.968
  173    H    CYS  22           HN       CYS  22  -2.880  -3.872   1.421
  174    HA   CYS  22           HA       CYS  22  -2.113  -3.243   4.152
  175   1HB   CYS  22          HB2       CYS  22  -3.827  -1.863   3.115
  176   2HB   CYS  22          HB1       CYS  22  -4.815  -3.284   2.794
  177    H    ILE  23           HN       ILE  23  -1.911  -4.762   5.638
  178    HA   ILE  23           HA       ILE  23  -3.699  -7.084   5.562
  179    HB   ILE  23           HB       ILE  23  -0.754  -7.257   6.198
  180   1HG1  ILE  23          HG12      ILE  23  -1.184  -6.822   3.793
  181   2HG1  ILE  23          HG11      ILE  23  -0.493  -8.417   4.078
  182   1HG2  ILE  23          HG21      ILE  23  -1.627  -9.788   5.685
  183   2HG2  ILE  23          HG22      ILE  23  -3.025  -9.080   6.494
  184   3HG2  ILE  23          HG23      ILE  23  -1.453  -9.084   7.292
  185   1HD1  ILE  23          HD11      ILE  23  -3.444  -7.982   3.773
  186   2HD1  ILE  23          HD12      ILE  23  -2.535  -9.489   3.655
  187   3HD1  ILE  23          HD13      ILE  23  -2.375  -8.262   2.398
  188    H    ASN  24           HN       ASN  24  -4.551  -7.637   7.498
  189    HA   ASN  24           HA       ASN  24  -5.210  -7.345   9.668
  190   1HB   ASN  24          HB2       ASN  24  -2.214  -7.318  10.019
  191   2HB   ASN  24          HB1       ASN  24  -3.373  -7.523  11.327
  192   1HD2  ASN  24          HD21      ASN  24  -4.672  -9.412  11.358
  193   2HD2  ASN  24          HD22      ASN  24  -4.149 -10.855  10.565
  194    H    ASN  25           HN       ASN  25  -5.679  -5.092   8.576
  195    HA   ASN  25           HA       ASN  25  -5.799  -2.820   8.727
  196   1HB   ASN  25          HB2       ASN  25  -6.181  -1.969  10.944
  197   2HB   ASN  25          HB1       ASN  25  -6.870  -3.586  10.852
  198   1HD2  ASN  25          HD21      ASN  25  -4.325  -1.621  12.167
  199   2HD2  ASN  25          HD22      ASN  25  -3.798  -2.749  13.365
  200    H    ALA  26           HN       ALA  26  -3.138  -3.928   8.243
  201    HA   ALA  26           HA       ALA  26  -1.565  -1.624   9.179
  202   1HB   ALA  26          HB1       ALA  26   0.179  -2.884   9.913
  203   2HB   ALA  26          HB2       ALA  26  -0.140  -4.192   8.774
  204   3HB   ALA  26          HB3       ALA  26  -1.124  -4.029  10.229
  205    H    CYS  27           HN       CYS  27  -1.392  -0.455   7.356
  206    HA   CYS  27           HA       CYS  27  -1.284  -1.542   4.748
  207   1HB   CYS  27          HB2       CYS  27  -2.056   0.752   5.226
  208   2HB   CYS  27          HB1       CYS  27  -0.421   1.196   5.702
  209    H    LYS  28           HN       LYS  28   0.334  -2.834   4.137
  210    HA   LYS  28           HA       LYS  28   3.055  -2.312   5.030
  211   1HB   LYS  28          HB2       LYS  28   1.724  -4.635   4.673
  212   2HB   LYS  28          HB1       LYS  28   2.520  -4.502   3.111
  213   1HG   LYS  28          HG2       LYS  28   4.074  -5.688   4.295
  214   2HG   LYS  28          HG1       LYS  28   4.643  -4.039   4.562
  215   1HD   LYS  28          HD2       LYS  28   4.253  -4.154   6.763
  216   2HD   LYS  28          HD1       LYS  28   2.664  -4.884   6.526
  217   1HE   LYS  28          HE2       LYS  28   3.441  -6.923   6.979
  218   2HE   LYS  28          HE1       LYS  28   4.795  -6.729   5.866
  219   1HZ   LYS  28          HZ1       LYS  28   5.073  -6.954   8.501
  220   2HZ   LYS  28          HZ2       LYS  28   5.002  -5.270   8.366
  221   3HZ   LYS  28          HZ3       LYS  28   6.179  -6.137   7.516
  222    H    CYS  29           HN       CYS  29   4.839  -2.405   3.430
  223    HA   CYS  29           HA       CYS  29   4.077  -1.344   0.806
  224   1HB   CYS  29          HB2       CYS  29   5.597  -0.014   2.905
  225   2HB   CYS  29          HB1       CYS  29   6.387   0.022   1.336
  226    H    TYR  30           HN       TYR  30   5.827  -1.465  -0.808
  227    HA   TYR  30           HA       TYR  30   7.936  -3.390  -0.189
  228   1HB   TYR  30          HB2       TYR  30   6.082  -3.733  -2.551
  229   2HB   TYR  30          HB1       TYR  30   7.423  -4.782  -2.105
  230    HD1  TYR  30           HD1      TYR  30   7.185  -5.457   0.583
  231    HD2  TYR  30           HD2      TYR  30   4.026  -4.682  -2.159
  232    HE1  TYR  30           HE1      TYR  30   5.669  -6.824   1.953
  233    HE2  TYR  30           HE2      TYR  30   2.501  -6.046  -0.796
  234    HH   TYR  30           HH       TYR  30   2.827  -6.764   2.171
  235    HA   PRO  31           HA       PRO  31   9.854  -0.218  -2.769
  236   1HB   PRO  31          HB2       PRO  31  12.372  -0.620  -1.956
  237   2HB   PRO  31          HB1       PRO  31  11.185   0.175  -0.923
  238   1HG   PRO  31          HG2       PRO  31  12.170  -2.640  -0.842
  239   2HG   PRO  31          HG1       PRO  31  11.837  -1.531   0.499
  240   1HD   PRO  31          HD2       PRO  31  10.114  -3.505  -0.360
  241   2HD   PRO  31          HD1       PRO  31   9.616  -2.053   0.531
  242    H    TYR  32           HN       TYR  32  11.224  -3.446  -2.350
  243    HA   TYR  32           HA       TYR  32  12.978  -4.002  -4.134
  244   1HB   TYR  32          HB2       TYR  32  12.096  -6.166  -4.479
  245   2HB   TYR  32          HB1       TYR  32  11.526  -5.661  -2.899
  246    HD1  TYR  32           HD1      TYR  32  10.494  -7.689  -5.221
  247    HD2  TYR  32           HD2      TYR  32   9.223  -3.950  -3.637
  248    HE1  TYR  32           HE1      TYR  32   8.188  -8.185  -5.913
  249    HE2  TYR  32           HE2      TYR  32   6.915  -4.437  -4.324
  250    HH   TYR  32           HH       TYR  32   5.568  -6.720  -4.768
  Start of MODEL    8
    1   1H    ALA   1           HT1      ALA   1 -14.375   4.030   9.790
    2   2H    ALA   1           HT2      ALA   1 -13.803   5.564  10.306
    3   3H    ALA   1           HT3      ALA   1 -13.163   4.129  10.997
    4    HA   ALA   1           HA       ALA   1 -12.983   4.662   8.129
    5   1HB   ALA   1          HB1       ALA   1 -10.928   5.794   8.395
    6   2HB   ALA   1          HB2       ALA   1 -10.872   5.443  10.122
    7   3HB   ALA   1          HB3       ALA   1 -12.062   6.582   9.492
    8    H    VAL   2           HN       VAL   2 -12.097   2.972   7.133
    9    HA   VAL   2           HA       VAL   2 -10.666   0.983   8.778
   10    HB   VAL   2           HB       VAL   2 -11.831   0.082   6.213
   11   1HG1  VAL   2          HG11      VAL   2 -10.822  -1.636   7.345
   12   2HG1  VAL   2          HG12      VAL   2 -12.485  -1.808   7.908
   13   3HG1  VAL   2          HG13      VAL   2 -11.286  -1.013   8.928
   14   1HG2  VAL   2          HG21      VAL   2 -13.654   1.473   7.090
   15   2HG2  VAL   2          HG22      VAL   2 -13.585   0.592   8.617
   16   3HG2  VAL   2          HG23      VAL   2 -14.062  -0.243   7.138
   17    H    CYS   3           HN       CYS   3  -9.225  -0.443   7.425
   18    HA   CYS   3           HA       CYS   3  -7.367   1.247   6.024
   19   1HB   CYS   3          HB2       CYS   3  -6.609  -0.509   7.576
   20   2HB   CYS   3          HB1       CYS   3  -7.302  -1.735   6.522
   21    H    VAL   4           HN       VAL   4  -7.425   1.659   3.922
   22    HA   VAL   4           HA       VAL   4  -8.886  -0.174   2.155
   23    HB   VAL   4           HB       VAL   4  -7.937   2.587   1.422
   24   1HG1  VAL   4          HG11      VAL   4  -9.771   2.438  -0.217
   25   2HG1  VAL   4          HG12      VAL   4 -10.118   0.803   0.345
   26   3HG1  VAL   4          HG13      VAL   4  -8.576   1.159  -0.432
   27   1HG2  VAL   4          HG21      VAL   4 -10.658   1.907   2.522
   28   2HG2  VAL   4          HG22      VAL   4 -10.040   3.501   2.092
   29   3HG2  VAL   4          HG23      VAL   4  -9.367   2.638   3.475
   30    H    TYR   5           HN       TYR   5  -7.855  -1.352   0.675
   31    HA   TYR   5           HA       TYR   5  -5.024  -1.462   0.622
   32   1HB   TYR   5          HB2       TYR   5  -6.437  -3.431   0.260
   33   2HB   TYR   5          HB1       TYR   5  -7.020  -2.721  -1.236
   34    HD1  TYR   5           HD1      TYR   5  -5.198  -2.151  -3.019
   35    HD2  TYR   5           HD2      TYR   5  -4.617  -4.866   0.204
   36    HE1  TYR   5           HE1      TYR   5  -3.343  -3.200  -4.245
   37    HE2  TYR   5           HE2      TYR   5  -2.761  -5.922  -1.013
   38    HH   TYR   5           HH       TYR   5  -1.354  -4.535  -3.787
   39    H    ARG   6           HN       ARG   6  -7.412  -0.396  -1.782
   40    HA   ARG   6           HA       ARG   6  -5.534   0.334  -3.745
   41   1HB   ARG   6          HB2       ARG   6  -8.179   0.012  -3.770
   42   2HB   ARG   6          HB1       ARG   6  -8.121   1.759  -3.616
   43   1HG   ARG   6          HG2       ARG   6  -8.028   1.746  -5.847
   44   2HG   ARG   6          HG1       ARG   6  -6.326   1.346  -5.611
   45   1HD   ARG   6          HD2       ARG   6  -7.851  -1.053  -5.434
   46   2HD   ARG   6          HD1       ARG   6  -8.343  -0.186  -6.888
   47    HE   ARG   6           HE       ARG   6  -5.493  -0.372  -6.555
   48   1HH1  ARG   6          HH11      ARG   6  -8.339  -1.960  -7.803
   49   2HH1  ARG   6          HH12      ARG   6  -7.458  -2.906  -8.955
   50   1HH2  ARG   6          HH21      ARG   6  -4.334  -1.616  -8.069
   51   2HH2  ARG   6          HH22      ARG   6  -5.184  -2.712  -9.106
   52    H    THR   7           HN       THR   7  -7.027   2.162  -1.119
   53    HA   THR   7           HA       THR   7  -5.981   4.679  -1.981
   54    HB   THR   7           HB       THR   7  -6.798   4.100   0.849
   55    HG1  THR   7           HG1      THR   7  -8.963   4.418   0.171
   56   1HG2  THR   7          HG21      THR   7  -6.258   6.333   0.686
   57   2HG2  THR   7          HG22      THR   7  -7.999   6.341   0.404
   58   3HG2  THR   7          HG23      THR   7  -6.885   6.473  -0.957
   59    H    CYS   8           HN       CYS   8  -5.074   2.259   0.415
   60    HA   CYS   8           HA       CYS   8  -2.833   3.714   1.413
   61   1HB   CYS   8          HB2       CYS   8  -4.077   1.789   2.560
   62   2HB   CYS   8          HB1       CYS   8  -3.143   0.717   1.522
   63    H    ASP   9           HN       ASP   9  -3.310   1.317  -1.106
   64    HA   ASP   9           HA       ASP   9  -0.594   0.816  -1.667
   65   1HB   ASP   9          HB2       ASP   9  -2.432  -0.645  -2.437
   66   2HB   ASP   9          HB1       ASP   9  -2.978   0.630  -3.523
   67    H    LYS  10           HN       LYS  10  -2.962   2.977  -3.224
   68    HA   LYS  10           HA       LYS  10  -1.186   4.100  -5.082
   69   1HB   LYS  10          HB2       LYS  10  -3.889   4.456  -4.321
   70   2HB   LYS  10          HB1       LYS  10  -3.129   6.038  -4.329
   71   1HG   LYS  10          HG2       LYS  10  -4.157   5.494  -6.479
   72   2HG   LYS  10          HG1       LYS  10  -2.413   5.723  -6.616
   73   1HD   LYS  10          HD2       LYS  10  -2.478   3.781  -7.750
   74   2HD   LYS  10          HD1       LYS  10  -2.556   3.052  -6.145
   75   1HE   LYS  10          HE2       LYS  10  -5.136   3.448  -6.446
   76   2HE   LYS  10          HE1       LYS  10  -4.716   3.458  -8.159
   77   1HZ   LYS  10          HZ1       LYS  10  -3.526   1.282  -7.647
   78   2HZ   LYS  10          HZ2       LYS  10  -5.216   1.250  -7.693
   79   3HZ   LYS  10          HZ3       LYS  10  -4.411   1.264  -6.205
   80    H    ASP  11           HN       ASP  11  -2.156   5.212  -1.849
   81    HA   ASP  11           HA       ASP  11  -0.749   7.607  -1.791
   82   1HB   ASP  11          HB2       ASP  11  -2.350   6.297  -0.045
   83   2HB   ASP  11          HB1       ASP  11  -0.787   6.069   0.719
   84    H    CYS  12           HN       CYS  12   0.288   4.381  -0.727
   85    HA   CYS  12           HA       CYS  12   2.915   5.221  -0.030
   86   1HB   CYS  12          HB2       CYS  12   1.656   3.135   0.773
   87   2HB   CYS  12          HB1       CYS  12   2.149   2.400  -0.748
   88    H    LYS  13           HN       LYS  13   1.461   3.889  -2.948
   89    HA   LYS  13           HA       LYS  13   3.761   3.237  -4.372
   90   1HB   LYS  13          HB2       LYS  13   0.971   3.610  -4.952
   91   2HB   LYS  13          HB1       LYS  13   1.932   4.350  -6.223
   92   1HG   LYS  13          HG2       LYS  13   2.442   2.378  -7.093
   93   2HG   LYS  13          HG1       LYS  13   2.975   1.755  -5.530
   94   1HD   LYS  13          HD2       LYS  13   0.572   1.358  -4.961
   95   2HD   LYS  13          HD1       LYS  13   0.164   1.799  -6.621
   96   1HE   LYS  13          HE2       LYS  13   2.275  -0.231  -6.336
   97   2HE   LYS  13          HE1       LYS  13   0.675  -0.728  -5.788
   98   1HZ   LYS  13          HZ1       LYS  13   0.060   0.394  -8.112
   99   2HZ   LYS  13          HZ2       LYS  13   0.438  -1.246  -7.952
  100   3HZ   LYS  13          HZ3       LYS  13   1.619  -0.155  -8.475
  101    H    ARG  14           HN       ARG  14   2.014   6.327  -4.218
  102    HA   ARG  14           HA       ARG  14   3.808   7.712  -5.929
  103   1HB   ARG  14          HB2       ARG  14   2.710   9.757  -5.036
  104   2HB   ARG  14          HB1       ARG  14   1.572   8.552  -5.622
  105   1HG   ARG  14          HG2       ARG  14   1.088   7.856  -3.359
  106   2HG   ARG  14          HG1       ARG  14   2.302   8.973  -2.731
  107   1HD   ARG  14          HD2       ARG  14   0.281  10.105  -2.436
  108   2HD   ARG  14          HD1       ARG  14   0.951  10.802  -3.910
  109    HE   ARG  14           HE       ARG  14  -0.622   8.808  -4.834
  110   1HH1  ARG  14          HH11      ARG  14  -1.183  11.458  -2.634
  111   2HH1  ARG  14          HH12      ARG  14  -2.858  11.608  -3.044
  112   1HH2  ARG  14          HH21      ARG  14  -2.825   9.003  -5.375
  113   2HH2  ARG  14          HH22      ARG  14  -3.791  10.214  -4.600
  114    H    ARG  15           HN       ARG  15   4.146   6.620  -2.749
  115    HA   ARG  15           HA       ARG  15   6.004   8.728  -1.979
  116   1HB   ARG  15          HB2       ARG  15   4.212   7.347  -0.506
  117   2HB   ARG  15          HB1       ARG  15   5.644   6.362  -0.239
  118   1HG   ARG  15          HG2       ARG  15   6.674   7.947   0.997
  119   2HG   ARG  15          HG1       ARG  15   5.982   9.279   0.068
  120   1HD   ARG  15          HD2       ARG  15   4.831   9.542   2.020
  121   2HD   ARG  15          HD1       ARG  15   3.747   8.427   1.189
  122    HE   ARG  15           HE       ARG  15   5.732   7.123   2.807
  123   1HH1  ARG  15          HH11      ARG  15   2.563   8.584   2.789
  124   2HH1  ARG  15          HH12      ARG  15   2.013   7.706   4.176
  125   1HH2  ARG  15          HH21      ARG  15   5.010   5.967   4.631
  126   2HH2  ARG  15          HH22      ARG  15   3.402   6.220   5.223
  127    H    GLY  16           HN       GLY  16   6.475   6.590  -4.120
  128   1HA   GLY  16          HA2       GLY  16   8.441   5.698  -4.936
  129   2HA   GLY  16          HA1       GLY  16   9.217   6.128  -3.424
  130    H    TYR  17           HN       TYR  17   6.605   3.922  -4.448
  131    HA   TYR  17           HA       TYR  17   8.071   1.713  -3.206
  132   1HB   TYR  17          HB2       TYR  17   5.194   2.444  -2.639
  133   2HB   TYR  17          HB1       TYR  17   5.893   0.877  -2.249
  134    HD1  TYR  17           HD1      TYR  17   6.524   4.515  -1.686
  135    HD2  TYR  17           HD2      TYR  17   6.786   0.562  -0.137
  136    HE1  TYR  17           HE1      TYR  17   7.321   5.415   0.459
  137    HE2  TYR  17           HE2      TYR  17   7.582   1.451   2.013
  138    HH   TYR  17           HH       TYR  17   8.900   4.082   2.542
  139    H    ARG  18           HN       ARG  18   7.347  -0.405  -3.934
  140    HA   ARG  18           HA       ARG  18   6.454  -0.286  -6.709
  141   1HB   ARG  18          HB2       ARG  18   8.397  -1.786  -5.380
  142   2HB   ARG  18          HB1       ARG  18   7.122  -2.939  -5.743
  143   1HG   ARG  18          HG2       ARG  18   7.853  -1.160  -7.960
  144   2HG   ARG  18          HG1       ARG  18   9.118  -2.274  -7.437
  145   1HD   ARG  18          HD2       ARG  18   7.936  -3.440  -9.094
  146   2HD   ARG  18          HD1       ARG  18   7.341  -4.094  -7.569
  147    HE   ARG  18           HE       ARG  18   5.600  -2.083  -8.167
  148   1HH1  ARG  18          HH11      ARG  18   6.720  -4.932  -9.842
  149   2HH1  ARG  18          HH12      ARG  18   5.242  -5.151 -10.718
  150   1HH2  ARG  18          HH21      ARG  18   3.656  -2.368  -9.319
  151   2HH2  ARG  18          HH22      ARG  18   3.503  -3.695 -10.421
  152    H    SER  19           HN       SER  19   5.744  -2.237  -3.802
  153    HA   SER  19           HA       SER  19   2.939  -2.318  -4.623
  154   1HB   SER  19          HB2       SER  19   4.025  -4.369  -5.531
  155   2HB   SER  19          HB1       SER  19   4.473  -4.821  -3.886
  156    HG   SER  19           HG       SER  19   2.522  -5.525  -3.587
  157    H    GLY  20           HN       GLY  20   1.803  -3.842  -2.782
  158   1HA   GLY  20          HA2       GLY  20   2.720  -3.837  -0.171
  159   2HA   GLY  20          HA1       GLY  20   1.973  -2.266  -0.417
  160    H    LYS  21           HN       LYS  21   1.051  -4.134   1.451
  161    HA   LYS  21           HA       LYS  21  -1.672  -4.454   0.506
  162   1HB   LYS  21          HB2       LYS  21  -1.565  -6.849   1.628
  163   2HB   LYS  21          HB1       LYS  21  -1.177  -6.612  -0.071
  164   1HG   LYS  21          HG2       LYS  21   1.185  -6.584   0.442
  165   2HG   LYS  21          HG1       LYS  21   0.833  -6.735   2.164
  166   1HD   LYS  21          HD2       LYS  21   0.296  -8.944   2.000
  167   2HD   LYS  21          HD1       LYS  21  -0.323  -8.782   0.356
  168   1HE   LYS  21          HE2       LYS  21   1.671  -9.242  -0.570
  169   2HE   LYS  21          HE1       LYS  21   2.553  -8.285   0.619
  170   1HZ   LYS  21          HZ1       LYS  21   1.892 -11.118   0.638
  171   2HZ   LYS  21          HZ2       LYS  21   1.803 -10.325   2.128
  172   3HZ   LYS  21          HZ3       LYS  21   3.250 -10.318   1.253
  173    H    CYS  22           HN       CYS  22  -3.199  -4.860   2.237
  174    HA   CYS  22           HA       CYS  22  -2.166  -3.927   4.829
  175   1HB   CYS  22          HB2       CYS  22  -3.812  -2.437   3.716
  176   2HB   CYS  22          HB1       CYS  22  -4.991  -3.744   3.764
  177    H    ILE  23           HN       ILE  23  -1.778  -5.672   6.044
  178    HA   ILE  23           HA       ILE  23  -3.895  -7.700   6.249
  179    HB   ILE  23           HB       ILE  23  -1.608  -8.383   5.299
  180   1HG1  ILE  23          HG12      ILE  23  -3.416  -9.917   6.135
  181   2HG1  ILE  23          HG11      ILE  23  -1.787 -10.573   6.247
  182   1HG2  ILE  23          HG21      ILE  23  -0.339  -7.150   7.086
  183   2HG2  ILE  23          HG22      ILE  23   0.178  -8.810   6.791
  184   3HG2  ILE  23          HG23      ILE  23  -0.815  -8.433   8.199
  185   1HD1  ILE  23          HD11      ILE  23  -2.197  -9.333   8.690
  186   2HD1  ILE  23          HD12      ILE  23  -2.258 -11.063   8.353
  187   3HD1  ILE  23          HD13      ILE  23  -3.738 -10.105   8.316
  188    H    ASN  24           HN       ASN  24  -4.612  -8.301   8.265
  189    HA   ASN  24           HA       ASN  24  -5.151  -7.983  10.463
  190   1HB   ASN  24          HB2       ASN  24  -2.150  -7.899  10.516
  191   2HB   ASN  24          HB1       ASN  24  -3.107  -7.799  11.988
  192   1HD2  ASN  24          HD21      ASN  24  -1.231  -9.850  10.765
  193   2HD2  ASN  24          HD22      ASN  24  -2.105 -11.335  10.890
  194    H    ASN  25           HN       ASN  25  -5.734  -5.787   9.197
  195    HA   ASN  25           HA       ASN  25  -5.981  -3.524   9.260
  196   1HB   ASN  25          HB2       ASN  25  -6.418  -2.596  11.425
  197   2HB   ASN  25          HB1       ASN  25  -6.990  -4.259  11.438
  198   1HD2  ASN  25          HD21      ASN  25  -4.571  -2.047  12.597
  199   2HD2  ASN  25          HD22      ASN  25  -3.962  -3.059  13.858
  200    H    ALA  26           HN       ALA  26  -3.257  -4.547   8.845
  201    HA   ALA  26           HA       ALA  26  -1.807  -2.106   9.612
  202   1HB   ALA  26          HB1       ALA  26  -1.181  -4.129  11.010
  203   2HB   ALA  26          HB2       ALA  26   0.143  -3.295  10.196
  204   3HB   ALA  26          HB3       ALA  26  -0.486  -4.806   9.537
  205    H    CYS  27           HN       CYS  27  -1.180  -1.052   7.854
  206    HA   CYS  27           HA       CYS  27  -1.059  -2.422   5.298
  207   1HB   CYS  27          HB2       CYS  27  -2.058  -0.045   5.859
  208   2HB   CYS  27          HB1       CYS  27  -0.393   0.473   5.622
  209    H    LYS  28           HN       LYS  28   0.745  -2.809   4.121
  210    HA   LYS  28           HA       LYS  28   3.295  -1.680   4.952
  211   1HB   LYS  28          HB2       LYS  28   2.549  -4.171   5.899
  212   2HB   LYS  28          HB1       LYS  28   3.540  -4.555   4.498
  213   1HG   LYS  28          HG2       LYS  28   5.182  -2.817   5.570
  214   2HG   LYS  28          HG1       LYS  28   4.291  -3.209   7.042
  215   1HD   LYS  28          HD2       LYS  28   5.682  -5.187   5.236
  216   2HD   LYS  28          HD1       LYS  28   6.275  -4.619   6.798
  217   1HE   LYS  28          HE2       LYS  28   4.375  -5.607   7.919
  218   2HE   LYS  28          HE1       LYS  28   3.673  -6.082   6.373
  219   1HZ   LYS  28          HZ1       LYS  28   4.722  -8.003   6.702
  220   2HZ   LYS  28          HZ2       LYS  28   5.699  -7.380   7.933
  221   3HZ   LYS  28          HZ3       LYS  28   6.154  -7.188   6.315
  222    H    CYS  29           HN       CYS  29   4.400  -1.087   3.213
  223    HA   CYS  29           HA       CYS  29   3.865  -2.475   0.671
  224   1HB   CYS  29          HB2       CYS  29   4.866   0.015  -0.030
  225   2HB   CYS  29          HB1       CYS  29   3.183  -0.486  -0.107
  226    H    TYR  30           HN       TYR  30   5.672  -2.367  -0.905
  227    HA   TYR  30           HA       TYR  30   8.303  -2.142   0.370
  228   1HB   TYR  30          HB2       TYR  30   7.858  -4.422  -1.498
  229   2HB   TYR  30          HB1       TYR  30   8.975  -4.283  -0.144
  230    HD1  TYR  30           HD1      TYR  30   8.199  -4.701   2.153
  231    HD2  TYR  30           HD2      TYR  30   5.614  -5.224  -1.186
  232    HE1  TYR  30           HE1      TYR  30   6.644  -5.981   3.563
  233    HE2  TYR  30           HE2      TYR  30   4.053  -6.505   0.215
  234    HH   TYR  30           HH       TYR  30   4.419  -7.965   2.516
  235    HA   PRO  31           HA       PRO  31   9.266  -0.132  -3.463
  236   1HB   PRO  31          HB2       PRO  31  11.924   0.076  -3.211
  237   2HB   PRO  31          HB1       PRO  31  10.827   0.978  -2.159
  238   1HG   PRO  31          HG2       PRO  31  12.332  -1.548  -1.606
  239   2HG   PRO  31          HG1       PRO  31  12.084  -0.141  -0.557
  240   1HD   PRO  31          HD2       PRO  31  10.624  -2.465  -0.395
  241   2HD   PRO  31          HD1       PRO  31  10.037  -0.881   0.146
  242    H    TYR  32           HN       TYR  32  11.384  -0.392  -5.069
  243    HA   TYR  32           HA       TYR  32  10.886  -2.829  -6.441
  244   1HB   TYR  32          HB2       TYR  32  12.146  -0.344  -7.005
  245   2HB   TYR  32          HB1       TYR  32  13.307  -1.616  -7.368
  246    HD1  TYR  32           HD1      TYR  32  12.380  -3.606  -8.804
  247    HD2  TYR  32           HD2      TYR  32  10.584   0.246  -8.609
  248    HE1  TYR  32           HE1      TYR  32  11.250  -4.030 -10.947
  249    HE2  TYR  32           HE2      TYR  32   9.448  -0.168 -10.750
  250    HH   TYR  32           HH       TYR  32   9.648  -1.557 -12.703
  Start of MODEL    9
    1   1H    ALA   1           HT1      ALA   1 -13.981   5.786   9.299
    2   2H    ALA   1           HT2      ALA   1 -12.270   5.897   9.384
    3   3H    ALA   1           HT3      ALA   1 -13.103   4.721  10.316
    4    HA   ALA   1           HA       ALA   1 -13.935   3.819   8.165
    5   1HB   ALA   1          HB1       ALA   1 -13.372   5.734   6.780
    6   2HB   ALA   1          HB2       ALA   1 -12.519   4.296   6.219
    7   3HB   ALA   1          HB3       ALA   1 -11.661   5.522   7.152
    8    H    VAL   2           HN       VAL   2 -12.235   2.365   6.840
    9    HA   VAL   2           HA       VAL   2 -10.303   1.347   8.823
   10    HB   VAL   2           HB       VAL   2 -11.313  -0.581   6.834
   11   1HG1  VAL   2          HG11      VAL   2  -9.883  -0.652   9.201
   12   2HG1  VAL   2          HG12      VAL   2 -10.541  -2.037   8.330
   13   3HG1  VAL   2          HG13      VAL   2 -11.464  -1.298   9.638
   14   1HG2  VAL   2          HG21      VAL   2 -13.357  -1.045   8.220
   15   2HG2  VAL   2          HG22      VAL   2 -13.424   0.436   7.265
   16   3HG2  VAL   2          HG23      VAL   2 -13.101   0.517   8.997
   17    H    CYS   3           HN       CYS   3  -8.611  -0.068   7.798
   18    HA   CYS   3           HA       CYS   3  -7.078   1.408   6.002
   19   1HB   CYS   3          HB2       CYS   3  -6.028  -0.196   7.448
   20   2HB   CYS   3          HB1       CYS   3  -6.962  -1.516   6.755
   21    H    VAL   4           HN       VAL   4  -7.155   1.669   3.873
   22    HA   VAL   4           HA       VAL   4  -8.815  -0.178   2.296
   23    HB   VAL   4           HB       VAL   4  -7.900   2.564   1.439
   24   1HG1  VAL   4          HG11      VAL   4  -8.599   1.049  -0.347
   25   2HG1  VAL   4          HG12      VAL   4  -9.735   2.384  -0.158
   26   3HG1  VAL   4          HG13      VAL   4 -10.137   0.787   0.474
   27   1HG2  VAL   4          HG21      VAL   4 -10.595   1.902   2.604
   28   2HG2  VAL   4          HG22      VAL   4  -9.948   3.491   2.196
   29   3HG2  VAL   4          HG23      VAL   4  -9.277   2.588   3.554
   30    H    TYR   5           HN       TYR   5  -7.860  -1.500   0.907
   31    HA   TYR   5           HA       TYR   5  -5.089  -1.707   0.632
   32   1HB   TYR   5          HB2       TYR   5  -6.906  -3.468   0.208
   33   2HB   TYR   5          HB1       TYR   5  -7.018  -2.761  -1.396
   34    HD1  TYR   5           HD1      TYR   5  -4.956  -4.749   0.870
   35    HD2  TYR   5           HD2      TYR   5  -5.205  -3.007  -3.003
   36    HE1  TYR   5           HE1      TYR   5  -3.075  -6.147   0.126
   37    HE2  TYR   5           HE2      TYR   5  -3.326  -4.400  -3.758
   38    HH   TYR   5           HH       TYR   5  -2.340  -7.038  -2.426
   39    H    ARG   6           HN       ARG   6  -7.496  -0.288  -1.547
   40    HA   ARG   6           HA       ARG   6  -5.608   0.358  -3.567
   41   1HB   ARG   6          HB2       ARG   6  -8.268   0.124  -3.572
   42   2HB   ARG   6          HB1       ARG   6  -8.142   1.866  -3.395
   43   1HG   ARG   6          HG2       ARG   6  -7.100   2.132  -5.454
   44   2HG   ARG   6          HG1       ARG   6  -6.620   0.436  -5.534
   45   1HD   ARG   6          HD2       ARG   6  -8.390   0.212  -6.892
   46   2HD   ARG   6          HD1       ARG   6  -9.332   0.232  -5.402
   47    HE   ARG   6           HE       ARG   6  -9.123   2.852  -6.024
   48   1HH1  ARG   6          HH11      ARG   6 -10.140   0.052  -7.844
   49   2HH1  ARG   6          HH12      ARG   6 -11.246   0.942  -8.834
   50   1HH2  ARG   6          HH21      ARG   6 -10.577   4.024  -7.327
   51   2HH2  ARG   6          HH22      ARG   6 -11.494   3.197  -8.541
   52    H    THR   7           HN       THR   7  -7.081   2.195  -0.922
   53    HA   THR   7           HA       THR   7  -5.952   4.690  -1.706
   54    HB   THR   7           HB       THR   7  -6.707   4.075   1.128
   55    HG1  THR   7           HG1      THR   7  -8.876   4.314   0.570
   56   1HG2  THR   7          HG21      THR   7  -7.827   6.305   0.904
   57   2HG2  THR   7          HG22      THR   7  -7.035   6.459  -0.665
   58   3HG2  THR   7          HG23      THR   7  -6.067   6.322   0.803
   59    H    CYS   8           HN       CYS   8  -5.021   2.099   0.457
   60    HA   CYS   8           HA       CYS   8  -2.761   3.444   1.567
   61   1HB   CYS   8          HB2       CYS   8  -4.020   1.422   2.530
   62   2HB   CYS   8          HB1       CYS   8  -3.090   0.452   1.394
   63    H    ASP   9           HN       ASP   9  -3.220   1.104  -1.042
   64    HA   ASP   9           HA       ASP   9  -0.513   0.762  -1.706
   65   1HB   ASP   9          HB2       ASP   9  -2.445  -0.679  -2.461
   66   2HB   ASP   9          HB1       ASP   9  -2.841   0.583  -3.623
   67    H    LYS  10           HN       LYS  10  -2.955   3.052  -2.885
   68    HA   LYS  10           HA       LYS  10  -1.278   4.210  -4.847
   69   1HB   LYS  10          HB2       LYS  10  -3.959   4.523  -3.961
   70   2HB   LYS  10          HB1       LYS  10  -3.208   6.109  -4.019
   71   1HG   LYS  10          HG2       LYS  10  -3.040   6.100  -6.270
   72   2HG   LYS  10          HG1       LYS  10  -2.758   4.360  -6.351
   73   1HD   LYS  10          HD2       LYS  10  -4.859   4.477  -7.259
   74   2HD   LYS  10          HD1       LYS  10  -5.265   4.252  -5.556
   75   1HE   LYS  10          HE2       LYS  10  -4.917   7.025  -6.574
   76   2HE   LYS  10          HE1       LYS  10  -6.385   6.153  -7.014
   77   1HZ   LYS  10          HZ1       LYS  10  -5.632   6.064  -4.206
   78   2HZ   LYS  10          HZ2       LYS  10  -7.160   6.220  -4.914
   79   3HZ   LYS  10          HZ3       LYS  10  -6.147   7.568  -4.787
   80    H    ASP  11           HN       ASP  11  -2.185   5.264  -1.574
   81    HA   ASP  11           HA       ASP  11  -0.766   7.654  -1.526
   82   1HB   ASP  11          HB2       ASP  11  -2.323   6.285   0.241
   83   2HB   ASP  11          HB1       ASP  11  -0.740   6.121   0.977
   84    H    CYS  12           HN       CYS  12   0.263   4.377  -0.701
   85    HA   CYS  12           HA       CYS  12   2.907   5.171   0.043
   86   1HB   CYS  12          HB2       CYS  12   1.635   3.093   0.821
   87   2HB   CYS  12          HB1       CYS  12   2.083   2.380  -0.726
   88    H    LYS  13           HN       LYS  13   1.572   3.509  -2.839
   89    HA   LYS  13           HA       LYS  13   4.017   3.196  -4.159
   90   1HB   LYS  13          HB2       LYS  13   2.795   2.634  -6.077
   91   2HB   LYS  13          HB1       LYS  13   1.748   2.170  -4.745
   92   1HG   LYS  13          HG2       LYS  13   0.625   4.434  -5.059
   93   2HG   LYS  13          HG1       LYS  13   1.492   4.517  -6.592
   94   1HD   LYS  13          HD2       LYS  13  -0.257   2.193  -5.819
   95   2HD   LYS  13          HD1       LYS  13  -0.859   3.598  -6.702
   96   1HE   LYS  13          HE2       LYS  13   1.579   2.295  -7.759
   97   2HE   LYS  13          HE1       LYS  13   0.069   1.396  -7.910
   98   1HZ   LYS  13          HZ1       LYS  13   0.890   3.190  -9.686
   99   2HZ   LYS  13          HZ2       LYS  13  -0.034   4.193  -8.687
  100   3HZ   LYS  13          HZ3       LYS  13  -0.743   2.840  -9.413
  101    H    ARG  14           HN       ARG  14   1.979   5.987  -3.802
  102    HA   ARG  14           HA       ARG  14   3.133   7.473  -5.953
  103   1HB   ARG  14          HB2       ARG  14   1.143   7.934  -3.852
  104   2HB   ARG  14          HB1       ARG  14   2.100   9.358  -4.234
  105   1HG   ARG  14          HG2       ARG  14   1.485   8.513  -6.718
  106   2HG   ARG  14          HG1       ARG  14   0.066   7.958  -5.829
  107   1HD   ARG  14          HD2       ARG  14  -0.731  10.030  -5.651
  108   2HD   ARG  14          HD1       ARG  14   0.812  10.642  -5.056
  109    HE   ARG  14           HE       ARG  14   1.127  10.288  -7.773
  110   1HH1  ARG  14          HH11      ARG  14  -0.934  12.173  -5.680
  111   2HH1  ARG  14          HH12      ARG  14  -1.123  13.462  -6.821
  112   1HH2  ARG  14          HH21      ARG  14   0.880  11.983  -9.274
  113   2HH2  ARG  14          HH22      ARG  14  -0.094  13.354  -8.861
  114    H    ARG  15           HN       ARG  15   4.042   6.815  -2.691
  115    HA   ARG  15           HA       ARG  15   5.756   9.101  -2.392
  116   1HB   ARG  15          HB2       ARG  15   4.637   7.366  -0.628
  117   2HB   ARG  15          HB1       ARG  15   6.268   6.716  -0.725
  118   1HG   ARG  15          HG2       ARG  15   7.133   8.403   0.451
  119   2HG   ARG  15          HG1       ARG  15   6.192   9.616  -0.419
  120   1HD   ARG  15          HD2       ARG  15   4.210   8.583   0.979
  121   2HD   ARG  15          HD1       ARG  15   5.522   8.094   2.052
  122    HE   ARG  15           HE       ARG  15   5.702  10.849   1.349
  123   1HH1  ARG  15          HH11      ARG  15   4.033   8.606   3.438
  124   2HH1  ARG  15          HH12      ARG  15   3.688   9.795   4.648
  125   1HH2  ARG  15          HH21      ARG  15   5.248  12.415   2.940
  126   2HH2  ARG  15          HH22      ARG  15   4.377  11.958   4.366
  127    H    GLY  16           HN       GLY  16   6.089   5.801  -3.499
  128   1HA   GLY  16          HA2       GLY  16   8.016   5.798  -5.213
  129   2HA   GLY  16          HA1       GLY  16   8.968   6.156  -3.786
  130    H    TYR  17           HN       TYR  17   6.230   3.937  -4.173
  131    HA   TYR  17           HA       TYR  17   8.034   1.750  -3.361
  132   1HB   TYR  17          HB2       TYR  17   5.128   2.215  -2.686
  133   2HB   TYR  17          HB1       TYR  17   5.942   0.676  -2.417
  134    HD1  TYR  17           HD1      TYR  17   6.369   4.308  -1.643
  135    HD2  TYR  17           HD2      TYR  17   6.899   0.291  -0.349
  136    HE1  TYR  17           HE1      TYR  17   7.176   5.122   0.533
  137    HE2  TYR  17           HE2      TYR  17   7.706   1.093   1.831
  138    HH   TYR  17           HH       TYR  17   7.324   3.349   3.220
  139    H    ARG  18           HN       ARG  18   7.332  -0.427  -4.078
  140    HA   ARG  18           HA       ARG  18   6.521  -0.305  -6.878
  141   1HB   ARG  18          HB2       ARG  18   8.155  -2.110  -5.227
  142   2HB   ARG  18          HB1       ARG  18   7.141  -2.925  -6.410
  143   1HG   ARG  18          HG2       ARG  18   8.911  -0.632  -7.179
  144   2HG   ARG  18          HG1       ARG  18   9.513  -2.289  -7.100
  145   1HD   ARG  18          HD2       ARG  18   7.250  -2.640  -8.542
  146   2HD   ARG  18          HD1       ARG  18   7.711  -1.015  -9.048
  147    HE   ARG  18           HE       ARG  18   9.887  -2.879  -9.130
  148   1HH1  ARG  18          HH11      ARG  18   7.127  -1.661 -10.882
  149   2HH1  ARG  18          HH12      ARG  18   7.759  -2.099 -12.433
  150   1HH2  ARG  18          HH21      ARG  18  10.723  -3.456 -11.169
  151   2HH2  ARG  18          HH22      ARG  18   9.801  -3.119 -12.596
  152    H    SER  19           HN       SER  19   5.725  -2.189  -3.958
  153    HA   SER  19           HA       SER  19   2.981  -2.436  -4.961
  154   1HB   SER  19          HB2       SER  19   4.573  -4.760  -3.852
  155   2HB   SER  19          HB1       SER  19   2.892  -4.807  -4.381
  156    HG   SER  19           HG       SER  19   3.730  -4.136  -6.486
  157    H    GLY  20           HN       GLY  20   1.482  -3.266  -3.227
  158   1HA   GLY  20          HA2       GLY  20   2.406  -2.651  -0.515
  159   2HA   GLY  20          HA1       GLY  20   1.058  -1.729  -1.156
  160    H    LYS  21           HN       LYS  21   0.907  -3.296   1.167
  161    HA   LYS  21           HA       LYS  21  -1.292  -5.023   0.426
  162   1HB   LYS  21          HB2       LYS  21   1.312  -6.063   1.429
  163   2HB   LYS  21          HB1       LYS  21  -0.157  -6.806   2.047
  164   1HG   LYS  21          HG2       LYS  21   0.017  -8.136   0.262
  165   2HG   LYS  21          HG1       LYS  21  -0.662  -6.768  -0.622
  166   1HD   LYS  21          HD2       LYS  21   1.754  -5.988  -0.917
  167   2HD   LYS  21          HD1       LYS  21   2.214  -7.608  -0.387
  168   1HE   LYS  21          HE2       LYS  21   1.549  -8.570  -2.318
  169   2HE   LYS  21          HE1       LYS  21   0.163  -7.495  -2.496
  170   1HZ   LYS  21          HZ1       LYS  21   2.771  -6.265  -2.836
  171   2HZ   LYS  21          HZ2       LYS  21   1.343  -6.035  -3.711
  172   3HZ   LYS  21          HZ3       LYS  21   2.326  -7.373  -4.035
  173    H    CYS  22           HN       CYS  22  -2.873  -4.580   1.798
  174    HA   CYS  22           HA       CYS  22  -2.252  -3.372   4.372
  175   1HB   CYS  22          HB2       CYS  22  -3.935  -2.207   3.160
  176   2HB   CYS  22          HB1       CYS  22  -4.809  -3.692   2.803
  177    H    ILE  23           HN       ILE  23  -1.817  -4.774   5.958
  178    HA   ILE  23           HA       ILE  23  -2.961  -7.406   6.038
  179    HB   ILE  23           HB       ILE  23  -1.483  -6.068   8.297
  180   1HG1  ILE  23          HG12      ILE  23  -0.216  -7.706   6.100
  181   2HG1  ILE  23          HG11      ILE  23  -0.265  -5.947   6.061
  182   1HG2  ILE  23          HG21      ILE  23  -0.735  -8.576   8.477
  183   2HG2  ILE  23          HG22      ILE  23  -2.225  -8.859   7.577
  184   3HG2  ILE  23          HG23      ILE  23  -2.280  -8.042   9.139
  185   1HD1  ILE  23          HD11      ILE  23   1.866  -6.788   6.894
  186   2HD1  ILE  23          HD12      ILE  23   1.027  -7.610   8.209
  187   3HD1  ILE  23          HD13      ILE  23   1.014  -5.848   8.118
  188    H    ASN  24           HN       ASN  24  -4.257  -8.244   7.755
  189    HA   ASN  24           HA       ASN  24  -6.601  -6.982   8.233
  190   1HB   ASN  24          HB2       ASN  24  -5.190  -9.037   9.915
  191   2HB   ASN  24          HB1       ASN  24  -6.841  -8.515  10.240
  192   1HD2  ASN  24          HD21      ASN  24  -8.049  -8.369   7.917
  193   2HD2  ASN  24          HD22      ASN  24  -8.017  -9.875   7.071
  194    H    ASN  25           HN       ASN  25  -3.650  -6.307   9.840
  195    HA   ASN  25           HA       ASN  25  -4.975  -4.202  11.337
  196   1HB   ASN  25          HB2       ASN  25  -4.393  -6.622  12.595
  197   2HB   ASN  25          HB1       ASN  25  -3.094  -5.543  13.093
  198   1HD2  ASN  25          HD21      ASN  25  -5.162  -6.647  14.729
  199   2HD2  ASN  25          HD22      ASN  25  -6.064  -5.322  15.373
  200    H    ALA  26           HN       ALA  26  -2.991  -4.369   9.117
  201    HA   ALA  26           HA       ALA  26  -1.333  -2.248   9.902
  202   1HB   ALA  26          HB1       ALA  26   0.103  -3.424  11.187
  203   2HB   ALA  26          HB2       ALA  26   0.837  -3.790   9.626
  204   3HB   ALA  26          HB3       ALA  26  -0.257  -4.950  10.380
  205    H    CYS  27           HN       CYS  27  -0.925  -1.194   8.072
  206    HA   CYS  27           HA       CYS  27  -0.928  -2.675   5.553
  207   1HB   CYS  27          HB2       CYS  27  -2.270  -0.477   6.072
  208   2HB   CYS  27          HB1       CYS  27  -0.738   0.310   5.708
  209    H    LYS  28           HN       LYS  28   0.884  -3.117   4.475
  210    HA   LYS  28           HA       LYS  28   3.259  -1.460   4.945
  211   1HB   LYS  28          HB2       LYS  28   3.014  -3.886   6.145
  212   2HB   LYS  28          HB1       LYS  28   3.778  -4.349   4.631
  213   1HG   LYS  28          HG2       LYS  28   5.693  -3.893   5.674
  214   2HG   LYS  28          HG1       LYS  28   5.283  -2.202   5.385
  215   1HD   LYS  28          HD2       LYS  28   4.878  -1.810   7.560
  216   2HD   LYS  28          HD1       LYS  28   4.027  -3.341   7.772
  217   1HE   LYS  28          HE2       LYS  28   5.884  -4.430   8.460
  218   2HE   LYS  28          HE1       LYS  28   6.939  -3.537   7.366
  219   1HZ   LYS  28          HZ1       LYS  28   6.279  -1.610   9.058
  220   2HZ   LYS  28          HZ2       LYS  28   7.617  -2.617   9.292
  221   3HZ   LYS  28          HZ3       LYS  28   6.168  -2.935  10.104
  222    H    CYS  29           HN       CYS  29   4.593  -1.193   3.197
  223    HA   CYS  29           HA       CYS  29   3.798  -2.544   0.709
  224   1HB   CYS  29          HB2       CYS  29   4.916  -0.062   0.000
  225   2HB   CYS  29          HB1       CYS  29   3.242  -0.569  -0.170
  226    H    TYR  30           HN       TYR  30   5.517  -2.486  -0.980
  227    HA   TYR  30           HA       TYR  30   8.203  -2.564   0.224
  228   1HB   TYR  30          HB2       TYR  30   7.476  -4.455  -1.979
  229   2HB   TYR  30          HB1       TYR  30   8.712  -4.614  -0.736
  230    HD1  TYR  30           HD1      TYR  30   5.015  -4.578  -1.198
  231    HD2  TYR  30           HD2      TYR  30   8.299  -5.930   1.145
  232    HE1  TYR  30           HE1      TYR  30   3.487  -5.976   0.127
  233    HE2  TYR  30           HE2      TYR  30   6.780  -7.333   2.475
  234    HH   TYR  30           HH       TYR  30   4.300  -7.322   3.057
  235    HA   PRO  31           HA       PRO  31   9.068   0.084  -3.260
  236   1HB   PRO  31          HB2       PRO  31  11.669   0.535  -2.749
  237   2HB   PRO  31          HB1       PRO  31  10.385   1.244  -1.770
  238   1HG   PRO  31          HG2       PRO  31  12.145  -1.084  -1.181
  239   2HG   PRO  31          HG1       PRO  31  11.536   0.169  -0.088
  240   1HD   PRO  31          HD2       PRO  31  10.477  -2.381  -0.337
  241   2HD   PRO  31          HD1       PRO  31   9.618  -0.981   0.332
  242    H    TYR  32           HN       TYR  32  11.508  -2.373  -2.465
  243    HA   TYR  32           HA       TYR  32  12.985  -3.506  -3.792
  244   1HB   TYR  32          HB2       TYR  32  11.730  -5.308  -4.108
  245   2HB   TYR  32          HB1       TYR  32  10.280  -4.318  -4.066
  246    HD1  TYR  32           HD1      TYR  32   8.878  -4.387  -5.901
  247    HD2  TYR  32           HD2      TYR  32  13.000  -5.285  -6.447
  248    HE1  TYR  32           HE1      TYR  32   8.441  -4.930  -8.259
  249    HE2  TYR  32           HE2      TYR  32  12.575  -5.830  -8.807
  250    HH   TYR  32           HH       TYR  32   9.629  -5.076 -10.366
  Start of MODEL   10
    1   1H    ALA   1           HT1      ALA   1 -12.556   5.527   9.696
    2   2H    ALA   1           HT2      ALA   1 -13.039   4.200  10.670
    3   3H    ALA   1           HT3      ALA   1 -14.222   5.209   9.943
    4    HA   ALA   1           HA       ALA   1 -14.236   3.404   8.608
    5   1HB   ALA   1          HB1       ALA   1 -13.927   5.490   7.353
    6   2HB   ALA   1          HB2       ALA   1 -13.220   4.107   6.519
    7   3HB   ALA   1          HB3       ALA   1 -12.182   5.241   7.383
    8    H    VAL   2           HN       VAL   2 -12.929   1.906   7.145
    9    HA   VAL   2           HA       VAL   2 -10.760   0.777   8.755
   10    HB   VAL   2           HB       VAL   2 -11.705  -0.665   6.346
   11   1HG1  VAL   2          HG11      VAL   2 -10.616  -1.256   9.026
   12   2HG1  VAL   2          HG12      VAL   2 -10.279  -2.011   7.468
   13   3HG1  VAL   2          HG13      VAL   2 -11.742  -2.437   8.356
   14   1HG2  VAL   2          HG21      VAL   2 -13.871  -0.216   6.917
   15   2HG2  VAL   2          HG22      VAL   2 -13.484   0.057   8.615
   16   3HG2  VAL   2          HG23      VAL   2 -13.574  -1.587   7.985
   17    H    CYS   3           HN       CYS   3  -9.021  -0.347   7.458
   18    HA   CYS   3           HA       CYS   3  -7.653   1.624   5.916
   19   1HB   CYS   3          HB2       CYS   3  -6.445   0.102   7.399
   20   2HB   CYS   3          HB1       CYS   3  -6.978  -1.277   6.445
   21    H    VAL   4           HN       VAL   4  -7.658   1.932   3.785
   22    HA   VAL   4           HA       VAL   4  -9.051  -0.011   2.097
   23    HB   VAL   4           HB       VAL   4  -8.091   2.706   1.225
   24   1HG1  VAL   4          HG11      VAL   4  -9.971   2.479  -0.373
   25   2HG1  VAL   4          HG12      VAL   4 -10.262   0.855   0.249
   26   3HG1  VAL   4          HG13      VAL   4  -8.743   1.228  -0.564
   27   1HG2  VAL   4          HG21      VAL   4 -10.723   2.028   2.535
   28   2HG2  VAL   4          HG22      VAL   4 -10.328   3.568   1.770
   29   3HG2  VAL   4          HG23      VAL   4  -9.452   3.048   3.209
   30    H    TYR   5           HN       TYR   5  -7.960  -1.368   0.860
   31    HA   TYR   5           HA       TYR   5  -5.163  -1.473   0.774
   32   1HB   TYR   5          HB2       TYR   5  -6.170  -3.524   0.441
   33   2HB   TYR   5          HB1       TYR   5  -7.361  -2.869  -0.668
   34    HD1  TYR   5           HD1      TYR   5  -7.181  -3.965  -2.695
   35    HD2  TYR   5           HD2      TYR   5  -3.626  -2.799  -0.671
   36    HE1  TYR   5           HE1      TYR   5  -5.845  -4.756  -4.601
   37    HE2  TYR   5           HE2      TYR   5  -2.279  -3.585  -2.573
   38    HH   TYR   5           HH       TYR   5  -2.580  -5.297  -4.461
   39    H    ARG   6           HN       ARG   6  -7.479  -0.494  -1.746
   40    HA   ARG   6           HA       ARG   6  -5.541   0.144  -3.679
   41   1HB   ARG   6          HB2       ARG   6  -8.186  -0.152  -3.764
   42   2HB   ARG   6          HB1       ARG   6  -8.115   1.599  -3.678
   43   1HG   ARG   6          HG2       ARG   6  -6.510   1.497  -5.633
   44   2HG   ARG   6          HG1       ARG   6  -6.976  -0.197  -5.791
   45   1HD   ARG   6          HD2       ARG   6  -9.280   1.548  -5.541
   46   2HD   ARG   6          HD1       ARG   6  -8.263   1.990  -6.911
   47    HE   ARG   6           HE       ARG   6  -8.642  -0.785  -6.937
   48   1HH1  ARG   6          HH11      ARG   6 -10.467   2.153  -7.405
   49   2HH1  ARG   6          HH12      ARG   6 -11.598   1.425  -8.495
   50   1HH2  ARG   6          HH21      ARG   6 -10.129  -1.744  -8.371
   51   2HH2  ARG   6          HH22      ARG   6 -11.407  -0.788  -9.043
   52    H    THR   7           HN       THR   7  -7.074   2.092  -1.166
   53    HA   THR   7           HA       THR   7  -5.980   4.562  -2.106
   54    HB   THR   7           HB       THR   7  -6.850   4.149   0.729
   55    HG1  THR   7           HG1      THR   7  -8.647   4.407  -1.445
   56   1HG2  THR   7          HG21      THR   7  -7.937   6.321   0.392
   57   2HG2  THR   7          HG22      THR   7  -7.305   6.364  -1.254
   58   3HG2  THR   7          HG23      THR   7  -6.196   6.385   0.117
   59    H    CYS   8           HN       CYS   8  -5.162   2.237   0.414
   60    HA   CYS   8           HA       CYS   8  -2.929   3.724   1.392
   61   1HB   CYS   8          HB2       CYS   8  -4.291   1.864   2.574
   62   2HB   CYS   8          HB1       CYS   8  -3.245   0.752   1.701
   63    H    ASP   9           HN       ASP   9  -3.416   1.257  -1.037
   64    HA   ASP   9           HA       ASP   9  -0.690   0.630  -1.465
   65   1HB   ASP   9          HB2       ASP   9  -2.517  -0.847  -2.203
   66   2HB   ASP   9          HB1       ASP   9  -3.037   0.375  -3.359
   67    H    LYS  10           HN       LYS  10  -2.958   2.767  -3.196
   68    HA   LYS  10           HA       LYS  10  -1.072   3.721  -5.053
   69   1HB   LYS  10          HB2       LYS  10  -3.811   4.165  -4.456
   70   2HB   LYS  10          HB1       LYS  10  -3.021   5.728  -4.575
   71   1HG   LYS  10          HG2       LYS  10  -2.124   5.056  -6.782
   72   2HG   LYS  10          HG1       LYS  10  -3.056   3.562  -6.662
   73   1HD   LYS  10          HD2       LYS  10  -5.114   4.962  -6.416
   74   2HD   LYS  10          HD1       LYS  10  -4.122   6.381  -6.759
   75   1HE   LYS  10          HE2       LYS  10  -3.875   4.161  -8.677
   76   2HE   LYS  10          HE1       LYS  10  -5.446   4.960  -8.640
   77   1HZ   LYS  10          HZ1       LYS  10  -3.063   6.652  -8.724
   78   2HZ   LYS  10          HZ2       LYS  10  -4.585   6.895  -9.420
   79   3HZ   LYS  10          HZ3       LYS  10  -3.487   5.829 -10.141
   80    H    ASP  11           HN       ASP  11  -2.312   5.226  -2.063
   81    HA   ASP  11           HA       ASP  11  -0.740   7.520  -2.129
   82   1HB   ASP  11          HB2       ASP  11  -2.625   6.559  -0.444
   83   2HB   ASP  11          HB1       ASP  11  -1.182   6.324   0.527
   84    H    CYS  12           HN       CYS  12  -0.091   4.402  -0.572
   85    HA   CYS  12           HA       CYS  12   2.453   5.072   0.430
   86   1HB   CYS  12          HB2       CYS  12   1.076   3.117   1.162
   87   2HB   CYS  12          HB1       CYS  12   1.471   2.323  -0.359
   88    H    LYS  13           HN       LYS  13   1.454   3.494  -2.597
   89    HA   LYS  13           HA       LYS  13   4.030   2.955  -3.570
   90   1HB   LYS  13          HB2       LYS  13   2.437   1.828  -4.777
   91   2HB   LYS  13          HB1       LYS  13   1.306   3.171  -4.745
   92   1HG   LYS  13          HG2       LYS  13   3.788   3.469  -6.348
   93   2HG   LYS  13          HG1       LYS  13   2.505   2.424  -6.963
   94   1HD   LYS  13          HD2       LYS  13   1.503   4.963  -5.952
   95   2HD   LYS  13          HD1       LYS  13   2.663   5.165  -7.267
   96   1HE   LYS  13          HE2       LYS  13   1.175   3.186  -8.292
   97   2HE   LYS  13          HE1       LYS  13  -0.041   3.962  -7.278
   98   1HZ   LYS  13          HZ1       LYS  13   0.452   6.065  -8.388
   99   2HZ   LYS  13          HZ2       LYS  13  -0.058   4.891  -9.493
  100   3HZ   LYS  13          HZ3       LYS  13   1.581   5.291  -9.382
  101    H    ARG  14           HN       ARG  14   2.110   5.862  -3.534
  102    HA   ARG  14           HA       ARG  14   3.625   7.284  -5.479
  103   1HB   ARG  14          HB2       ARG  14   1.248   7.708  -4.135
  104   2HB   ARG  14          HB1       ARG  14   2.309   8.934  -3.456
  105   1HG   ARG  14          HG2       ARG  14   2.553  10.031  -5.461
  106   2HG   ARG  14          HG1       ARG  14   2.176   8.594  -6.414
  107   1HD   ARG  14          HD2       ARG  14   0.356  10.202  -6.532
  108   2HD   ARG  14          HD1       ARG  14  -0.161   8.736  -5.699
  109    HE   ARG  14           HE       ARG  14  -0.528   9.988  -3.826
  110   1HH1  ARG  14          HH11      ARG  14   1.560  11.786  -5.967
  111   2HH1  ARG  14          HH12      ARG  14   1.525  13.222  -4.998
  112   1HH2  ARG  14          HH21      ARG  14  -0.575  11.875  -2.551
  113   2HH2  ARG  14          HH22      ARG  14   0.313  13.272  -3.059
  114    H    ARG  15           HN       ARG  15   4.167   6.486  -2.190
  115    HA   ARG  15           HA       ARG  15   5.826   8.705  -1.513
  116   1HB   ARG  15          HB2       ARG  15   4.626   6.946   0.017
  117   2HB   ARG  15          HB1       ARG  15   6.103   6.022  -0.212
  118   1HG   ARG  15          HG2       ARG  15   7.326   7.393   1.091
  119   2HG   ARG  15          HG1       ARG  15   6.462   8.840   0.567
  120   1HD   ARG  15          HD2       ARG  15   5.912   8.558   2.841
  121   2HD   ARG  15          HD1       ARG  15   4.505   7.999   1.937
  122    HE   ARG  15           HE       ARG  15   6.356   5.904   2.607
  123   1HH1  ARG  15          HH11      ARG  15   3.622   7.770   3.715
  124   2HH1  ARG  15          HH12      ARG  15   3.089   6.558   4.831
  125   1HH2  ARG  15          HH21      ARG  15   5.656   4.310   4.076
  126   2HH2  ARG  15          HH22      ARG  15   4.244   4.594   5.037
  127    H    GLY  16           HN       GLY  16   6.594   5.301  -2.258
  128   1HA   GLY  16          HA2       GLY  16   8.654   5.766  -4.037
  129   2HA   GLY  16          HA1       GLY  16   9.388   5.772  -2.442
  130    H    TYR  17           HN       TYR  17   6.672   3.796  -3.546
  131    HA   TYR  17           HA       TYR  17   8.390   1.419  -3.310
  132   1HB   TYR  17          HB2       TYR  17   5.542   1.637  -2.316
  133   2HB   TYR  17          HB1       TYR  17   6.577   0.218  -2.210
  134    HD1  TYR  17           HD1      TYR  17   8.191  -0.003  -0.469
  135    HD2  TYR  17           HD2      TYR  17   6.061   3.649  -0.948
  136    HE1  TYR  17           HE1      TYR  17   9.016   0.760   1.719
  137    HE2  TYR  17           HE2      TYR  17   6.881   4.421   1.237
  138    HH   TYR  17           HH       TYR  17   8.316   2.380   3.489
  139    H    ARG  18           HN       ARG  18   7.171  -0.567  -4.231
  140    HA   ARG  18           HA       ARG  18   6.068   0.238  -6.833
  141   1HB   ARG  18          HB2       ARG  18   8.192  -1.385  -6.314
  142   2HB   ARG  18          HB1       ARG  18   6.897  -2.566  -6.453
  143   1HG   ARG  18          HG2       ARG  18   6.559  -2.145  -8.670
  144   2HG   ARG  18          HG1       ARG  18   7.125  -0.478  -8.553
  145   1HD   ARG  18          HD2       ARG  18   9.364  -1.103  -8.619
  146   2HD   ARG  18          HD1       ARG  18   9.014  -2.762  -8.134
  147    HE   ARG  18           HE       ARG  18   9.007  -1.700 -10.796
  148   1HH1  ARG  18          HH11      ARG  18   7.675  -4.171  -8.723
  149   2HH1  ARG  18          HH12      ARG  18   7.333  -5.257 -10.028
  150   1HH2  ARG  18          HH21      ARG  18   8.556  -3.125 -12.514
  151   2HH2  ARG  18          HH22      ARG  18   7.833  -4.663 -12.181
  152    H    SER  19           HN       SER  19   5.654  -2.141  -4.227
  153    HA   SER  19           HA       SER  19   2.834  -2.396  -5.042
  154   1HB   SER  19          HB2       SER  19   3.917  -4.722  -3.624
  155   2HB   SER  19          HB1       SER  19   2.942  -4.650  -5.092
  156    HG   SER  19           HG       SER  19   4.694  -4.929  -6.198
  157    H    GLY  20           HN       GLY  20   1.792  -3.808  -3.012
  158   1HA   GLY  20          HA2       GLY  20   2.531  -3.358  -0.410
  159   2HA   GLY  20          HA1       GLY  20   1.724  -1.876  -0.896
  160    H    LYS  21           HN       LYS  21   0.713  -3.313   1.161
  161    HA   LYS  21           HA       LYS  21  -1.950  -3.793   0.308
  162   1HB   LYS  21          HB2       LYS  21  -0.140  -6.083   0.467
  163   2HB   LYS  21          HB1       LYS  21  -1.569  -6.272   1.474
  164   1HG   LYS  21          HG2       LYS  21  -2.972  -6.411  -0.296
  165   2HG   LYS  21          HG1       LYS  21  -2.001  -5.326  -1.293
  166   1HD   LYS  21          HD2       LYS  21  -0.290  -7.354  -1.149
  167   2HD   LYS  21          HD1       LYS  21  -1.783  -8.262  -0.901
  168   1HE   LYS  21          HE2       LYS  21  -1.460  -6.316  -3.166
  169   2HE   LYS  21          HE1       LYS  21  -0.940  -7.996  -3.300
  170   1HZ   LYS  21          HZ1       LYS  21  -3.425  -8.279  -2.350
  171   2HZ   LYS  21          HZ2       LYS  21  -3.034  -8.307  -3.995
  172   3HZ   LYS  21          HZ3       LYS  21  -3.611  -6.883  -3.288
  173    H    CYS  22           HN       CYS  22  -3.399  -4.172   2.088
  174    HA   CYS  22           HA       CYS  22  -2.200  -3.413   4.664
  175   1HB   CYS  22          HB2       CYS  22  -4.030  -1.987   3.419
  176   2HB   CYS  22          HB1       CYS  22  -5.132  -3.162   4.128
  177    H    ILE  23           HN       ILE  23  -1.892  -5.129   5.906
  178    HA   ILE  23           HA       ILE  23  -4.101  -7.041   6.207
  179    HB   ILE  23           HB       ILE  23  -1.189  -7.807   6.348
  180   1HG1  ILE  23          HG12      ILE  23  -1.770  -7.114   4.056
  181   2HG1  ILE  23          HG11      ILE  23  -1.478  -8.848   4.151
  182   1HG2  ILE  23          HG21      ILE  23  -2.138  -9.519   7.451
  183   2HG2  ILE  23          HG22      ILE  23  -2.579 -10.073   5.836
  184   3HG2  ILE  23          HG23      ILE  23  -3.745  -9.178   6.810
  185   1HD1  ILE  23          HD11      ILE  23  -4.253  -7.762   4.350
  186   2HD1  ILE  23          HD12      ILE  23  -3.712  -9.366   3.855
  187   3HD1  ILE  23          HD13      ILE  23  -3.476  -7.985   2.783
  188    H    ASN  24           HN       ASN  24  -4.557  -7.704   8.274
  189    HA   ASN  24           HA       ASN  24  -4.749  -7.429  10.536
  190   1HB   ASN  24          HB2       ASN  24  -1.742  -7.588  10.356
  191   2HB   ASN  24          HB1       ASN  24  -2.706  -7.884  11.798
  192   1HD2  ASN  24          HD21      ASN  24  -1.856  -9.974  11.966
  193   2HD2  ASN  24          HD22      ASN  24  -2.379 -11.251  10.927
  194    H    ASN  25           HN       ASN  25  -5.247  -5.110   9.624
  195    HA   ASN  25           HA       ASN  25  -5.134  -2.839   9.834
  196   1HB   ASN  25          HB2       ASN  25  -4.991  -2.052  12.116
  197   2HB   ASN  25          HB1       ASN  25  -5.874  -3.574  12.090
  198   1HD2  ASN  25          HD21      ASN  25  -2.955  -1.966  13.036
  199   2HD2  ASN  25          HD22      ASN  25  -2.348  -3.222  14.054
  200    H    ALA  26           HN       ALA  26  -2.703  -4.119   8.832
  201    HA   ALA  26           HA       ALA  26  -0.837  -1.940   9.454
  202   1HB   ALA  26          HB1       ALA  26  -0.214  -4.015  10.717
  203   2HB   ALA  26          HB2       ALA  26   1.033  -3.405   9.629
  204   3HB   ALA  26          HB3       ALA  26   0.060  -4.800   9.162
  205    H    CYS  27           HN       CYS  27  -0.381  -0.894   7.637
  206    HA   CYS  27           HA       CYS  27  -0.820  -2.168   5.071
  207   1HB   CYS  27          HB2       CYS  27  -1.407   0.290   5.833
  208   2HB   CYS  27          HB1       CYS  27   0.250   0.607   5.334
  209    H    LYS  28           HN       LYS  28   0.774  -3.486   4.446
  210    HA   LYS  28           HA       LYS  28   3.555  -2.678   4.846
  211   1HB   LYS  28          HB2       LYS  28   3.880  -5.079   3.825
  212   2HB   LYS  28          HB1       LYS  28   3.437  -4.876   5.511
  213   1HG   LYS  28          HG2       LYS  28   1.334  -5.695   5.201
  214   2HG   LYS  28          HG1       LYS  28   1.252  -5.154   3.523
  215   1HD   LYS  28          HD2       LYS  28   3.247  -7.246   4.185
  216   2HD   LYS  28          HD1       LYS  28   1.546  -7.717   4.189
  217   1HE   LYS  28          HE2       LYS  28   1.822  -6.217   1.877
  218   2HE   LYS  28          HE1       LYS  28   3.316  -7.148   1.959
  219   1HZ   LYS  28          HZ1       LYS  28   1.643  -8.367   0.757
  220   2HZ   LYS  28          HZ2       LYS  28   0.558  -8.246   2.049
  221   3HZ   LYS  28          HZ3       LYS  28   1.970  -9.163   2.214
  222    H    CYS  29           HN       CYS  29   4.729  -1.852   3.250
  223    HA   CYS  29           HA       CYS  29   3.645  -1.957   0.527
  224   1HB   CYS  29          HB2       CYS  29   4.781   0.126   2.085
  225   2HB   CYS  29          HB1       CYS  29   5.836  -0.159   0.708
  226    H    TYR  30           HN       TYR  30   5.257  -2.028  -1.255
  227    HA   TYR  30           HA       TYR  30   7.558  -3.730  -0.560
  228   1HB   TYR  30          HB2       TYR  30   5.592  -4.021  -2.827
  229   2HB   TYR  30          HB1       TYR  30   7.171  -4.799  -2.847
  230    HD1  TYR  30           HD1      TYR  30   3.791  -4.953  -1.619
  231    HD2  TYR  30           HD2      TYR  30   7.725  -6.467  -1.041
  232    HE1  TYR  30           HE1      TYR  30   2.871  -6.837  -0.335
  233    HE2  TYR  30           HE2      TYR  30   6.816  -8.356   0.244
  234    HH   TYR  30           HH       TYR  30   3.463  -9.070   0.340
  235    HA   PRO  31           HA       PRO  31   9.460  -0.197  -2.683
  236   1HB   PRO  31          HB2       PRO  31  12.011  -0.822  -1.974
  237   2HB   PRO  31          HB1       PRO  31  10.891   0.026  -0.902
  238   1HG   PRO  31          HG2       PRO  31  11.629  -2.875  -0.961
  239   2HG   PRO  31          HG1       PRO  31  11.431  -1.798   0.435
  240   1HD   PRO  31          HD2       PRO  31   9.516  -3.547  -0.323
  241   2HD   PRO  31          HD1       PRO  31   9.130  -1.974   0.404
  242    H    TYR  32           HN       TYR  32  11.467  -0.103  -4.170
  243    HA   TYR  32           HA       TYR  32  11.035  -1.790  -6.361
  244   1HB   TYR  32          HB2       TYR  32  12.624   0.484  -5.776
  245   2HB   TYR  32          HB1       TYR  32  13.701  -0.734  -6.452
  246    HD1  TYR  32           HD1      TYR  32  11.180   1.718  -7.159
  247    HD2  TYR  32           HD2      TYR  32  13.098  -1.754  -8.697
  248    HE1  TYR  32           HE1      TYR  32  10.400   2.295  -9.419
  249    HE2  TYR  32           HE2      TYR  32  12.325  -1.186 -10.961
  250    HH   TYR  32           HH       TYR  32  10.187   0.301 -11.857
  Start of MODEL   11
    1   1H    ALA   1           HT1      ALA   1 -13.383   4.209  11.087
    2   2H    ALA   1           HT2      ALA   1 -13.603   5.772  10.414
    3   3H    ALA   1           HT3      ALA   1 -12.027   5.220  10.809
    4    HA   ALA   1           HA       ALA   1 -13.818   4.170   8.727
    5   1HB   ALA   1          HB1       ALA   1 -12.899   6.116   7.866
    6   2HB   ALA   1          HB2       ALA   1 -11.764   4.879   7.327
    7   3HB   ALA   1          HB3       ALA   1 -11.371   5.891   8.717
    8    H    VAL   2           HN       VAL   2 -12.175   2.916   7.152
    9    HA   VAL   2           HA       VAL   2 -10.653   1.024   8.825
   10    HB   VAL   2           HB       VAL   2 -11.880  -0.024   6.341
   11   1HG1  VAL   2          HG11      VAL   2 -10.957  -1.004   8.968
   12   2HG1  VAL   2          HG12      VAL   2 -10.786  -1.715   7.363
   13   3HG1  VAL   2          HG13      VAL   2 -12.310  -1.867   8.237
   14   1HG2  VAL   2          HG21      VAL   2 -13.904   0.827   6.948
   15   2HG2  VAL   2          HG22      VAL   2 -13.467   0.947   8.653
   16   3HG2  VAL   2          HG23      VAL   2 -13.906  -0.615   7.963
   17    H    CYS   3           HN       CYS   3  -9.194  -0.368   7.444
   18    HA   CYS   3           HA       CYS   3  -7.426   1.351   6.011
   19   1HB   CYS   3          HB2       CYS   3  -6.588  -0.491   7.391
   20   2HB   CYS   3          HB1       CYS   3  -7.391  -1.655   6.344
   21    H    VAL   4           HN       VAL   4  -7.406   1.815   3.914
   22    HA   VAL   4           HA       VAL   4  -9.071   0.197   2.112
   23    HB   VAL   4           HB       VAL   4  -7.959   2.935   1.518
   24   1HG1  VAL   4          HG11      VAL   4  -9.301   1.025  -0.040
   25   2HG1  VAL   4          HG12      VAL   4  -8.940   2.699  -0.461
   26   3HG1  VAL   4          HG13      VAL   4 -10.478   2.293   0.301
   27   1HG2  VAL   4          HG21      VAL   4 -10.685   2.301   2.643
   28   2HG2  VAL   4          HG22      VAL   4 -10.055   3.895   2.226
   29   3HG2  VAL   4          HG23      VAL   4  -9.351   2.991   3.567
   30    H    TYR   5           HN       TYR   5  -8.081  -1.151   0.783
   31    HA   TYR   5           HA       TYR   5  -5.286  -1.327   0.524
   32   1HB   TYR   5          HB2       TYR   5  -7.260  -3.052   0.080
   33   2HB   TYR   5          HB1       TYR   5  -7.028  -2.496  -1.570
   34    HD1  TYR   5           HD1      TYR   5  -4.719  -2.708  -2.603
   35    HD2  TYR   5           HD2      TYR   5  -5.805  -4.634   1.031
   36    HE1  TYR   5           HE1      TYR   5  -2.831  -4.260  -2.869
   37    HE2  TYR   5           HE2      TYR   5  -3.918  -6.191   0.777
   38    HH   TYR   5           HH       TYR   5  -2.310  -6.688  -2.022
   39    H    ARG   6           HN       ARG   6  -7.768  -0.003  -1.624
   40    HA   ARG   6           HA       ARG   6  -6.048   0.582  -3.774
   41   1HB   ARG   6          HB2       ARG   6  -8.700   0.560  -3.507
   42   2HB   ARG   6          HB1       ARG   6  -8.425   2.282  -3.315
   43   1HG   ARG   6          HG2       ARG   6  -6.926   1.776  -5.509
   44   2HG   ARG   6          HG1       ARG   6  -8.224   0.595  -5.703
   45   1HD   ARG   6          HD2       ARG   6  -9.079   3.301  -4.920
   46   2HD   ARG   6          HD1       ARG   6  -8.365   3.170  -6.527
   47    HE   ARG   6           HE       ARG   6 -10.344   1.164  -6.037
   48   1HH1  ARG   6          HH11      ARG   6  -9.871   4.489  -6.987
   49   2HH1  ARG   6          HH12      ARG   6 -11.361   4.581  -7.864
   50   1HH2  ARG   6          HH21      ARG   6 -12.305   1.284  -7.191
   51   2HH2  ARG   6          HH22      ARG   6 -12.743   2.763  -7.980
   52    H    THR   7           HN       THR   7  -7.021   2.450  -0.942
   53    HA   THR   7           HA       THR   7  -5.776   4.868  -1.838
   54    HB   THR   7           HB       THR   7  -6.494   4.157   1.004
   55    HG1  THR   7           HG1      THR   7  -8.139   5.031  -1.119
   56   1HG2  THR   7          HG21      THR   7  -5.424   6.201   1.091
   57   2HG2  THR   7          HG22      THR   7  -7.125   6.649   0.959
   58   3HG2  THR   7          HG23      THR   7  -6.080   6.725  -0.460
   59    H    CYS   8           HN       CYS   8  -4.932   2.249   0.364
   60    HA   CYS   8           HA       CYS   8  -2.442   3.391   1.161
   61   1HB   CYS   8          HB2       CYS   8  -3.827   1.586   2.371
   62   2HB   CYS   8          HB1       CYS   8  -3.083   0.452   1.249
   63    H    ASP   9           HN       ASP   9  -3.496   1.261  -1.401
   64    HA   ASP   9           HA       ASP   9  -0.922   0.418  -2.234
   65   1HB   ASP   9          HB2       ASP   9  -2.968  -0.807  -2.846
   66   2HB   ASP   9          HB1       ASP   9  -3.503   0.567  -3.809
   67    H    LYS  10           HN       LYS  10  -3.153   2.923  -3.430
   68    HA   LYS  10           HA       LYS  10  -1.471   3.897  -5.456
   69   1HB   LYS  10          HB2       LYS  10  -3.993   4.578  -4.329
   70   2HB   LYS  10          HB1       LYS  10  -3.030   6.041  -4.453
   71   1HG   LYS  10          HG2       LYS  10  -2.984   4.321  -6.830
   72   2HG   LYS  10          HG1       LYS  10  -4.553   5.032  -6.443
   73   1HD   LYS  10          HD2       LYS  10  -2.889   7.164  -6.109
   74   2HD   LYS  10          HD1       LYS  10  -2.093   6.298  -7.425
   75   1HE   LYS  10          HE2       LYS  10  -3.549   7.668  -8.575
   76   2HE   LYS  10          HE1       LYS  10  -4.485   6.180  -8.437
   77   1HZ   LYS  10          HZ1       LYS  10  -5.449   8.551  -7.783
   78   2HZ   LYS  10          HZ2       LYS  10  -4.796   8.115  -6.285
   79   3HZ   LYS  10          HZ3       LYS  10  -5.949   7.123  -7.024
   80    H    ASP  11           HN       ASP  11  -1.973   5.040  -2.122
   81    HA   ASP  11           HA       ASP  11  -0.186   7.175  -2.174
   82   1HB   ASP  11          HB2       ASP  11  -1.847   6.133  -0.307
   83   2HB   ASP  11          HB1       ASP  11  -0.291   5.621   0.328
   84    H    CYS  12           HN       CYS  12   0.363   3.814  -1.165
   85    HA   CYS  12           HA       CYS  12   3.084   4.041  -0.574
   86   1HB   CYS  12          HB2       CYS  12   1.576   2.084  -0.049
   87   2HB   CYS  12          HB1       CYS  12   1.745   1.591  -1.730
   88    H    LYS  13           HN       LYS  13   1.449   3.239  -3.616
   89    HA   LYS  13           HA       LYS  13   3.728   2.695  -5.146
   90   1HB   LYS  13          HB2       LYS  13   0.926   3.032  -5.599
   91   2HB   LYS  13          HB1       LYS  13   1.798   3.964  -6.808
   92   1HG   LYS  13          HG2       LYS  13   2.431   2.138  -7.909
   93   2HG   LYS  13          HG1       LYS  13   2.920   1.312  -6.428
   94   1HD   LYS  13          HD2       LYS  13   0.961   0.214  -6.247
   95   2HD   LYS  13          HD1       LYS  13   0.017   1.604  -6.786
   96   1HE   LYS  13          HE2       LYS  13  -0.118  -0.296  -8.349
   97   2HE   LYS  13          HE1       LYS  13   0.583   1.142  -9.090
   98   1HZ   LYS  13          HZ1       LYS  13   1.673  -1.231  -9.340
   99   2HZ   LYS  13          HZ2       LYS  13   2.421  -0.785  -7.890
  100   3HZ   LYS  13          HZ3       LYS  13   2.611   0.176  -9.269
  101    H    ARG  14           HN       ARG  14   2.145   5.724  -4.323
  102    HA   ARG  14           HA       ARG  14   4.036   7.227  -5.959
  103   1HB   ARG  14          HB2       ARG  14   1.395   7.743  -4.786
  104   2HB   ARG  14          HB1       ARG  14   2.506   9.101  -4.668
  105   1HG   ARG  14          HG2       ARG  14   2.916   8.593  -7.203
  106   2HG   ARG  14          HG1       ARG  14   1.340   7.807  -7.081
  107   1HD   ARG  14          HD2       ARG  14   1.499  10.472  -5.854
  108   2HD   ARG  14          HD1       ARG  14   1.717  10.446  -7.603
  109    HE   ARG  14           HE       ARG  14  -0.551   8.931  -6.700
  110   1HH1  ARG  14          HH11      ARG  14   0.586  12.096  -7.629
  111   2HH1  ARG  14          HH12      ARG  14  -0.987  12.670  -8.069
  112   1HH2  ARG  14          HH21      ARG  14  -2.621   9.683  -7.278
  113   2HH2  ARG  14          HH22      ARG  14  -2.808  11.300  -7.870
  114    H    ARG  15           HN       ARG  15   4.639   5.758  -3.334
  115    HA   ARG  15           HA       ARG  15   5.849   8.053  -1.951
  116   1HB   ARG  15          HB2       ARG  15   4.019   6.364  -0.857
  117   2HB   ARG  15          HB1       ARG  15   5.517   5.560  -0.413
  118   1HG   ARG  15          HG2       ARG  15   5.984   7.071   1.151
  119   2HG   ARG  15          HG1       ARG  15   5.605   8.421   0.078
  120   1HD   ARG  15          HD2       ARG  15   3.226   8.118   0.527
  121   2HD   ARG  15          HD1       ARG  15   3.589   6.747   1.573
  122    HE   ARG  15           HE       ARG  15   4.990   9.029   2.461
  123   1HH1  ARG  15          HH11      ARG  15   1.764   7.702   2.332
  124   2HH1  ARG  15          HH12      ARG  15   1.225   8.549   3.743
  125   1HH2  ARG  15          HH21      ARG  15   4.282  10.143   4.317
  126   2HH2  ARG  15          HH22      ARG  15   2.654   9.935   4.870
  127    H    GLY  16           HN       GLY  16   7.041   6.697  -4.140
  128   1HA   GLY  16          HA2       GLY  16   9.098   5.874  -4.734
  129   2HA   GLY  16          HA1       GLY  16   9.604   6.189  -3.082
  130    H    TYR  17           HN       TYR  17   6.904   4.095  -3.688
  131    HA   TYR  17           HA       TYR  17   8.607   1.761  -3.117
  132   1HB   TYR  17          HB2       TYR  17   5.830   2.300  -2.043
  133   2HB   TYR  17          HB1       TYR  17   6.749   0.820  -1.787
  134    HD1  TYR  17           HD1      TYR  17   5.712   3.587  -0.142
  135    HD2  TYR  17           HD2      TYR  17   9.343   1.542  -0.999
  136    HE1  TYR  17           HE1      TYR  17   6.736   4.578   1.862
  137    HE2  TYR  17           HE2      TYR  17  10.377   2.527   1.003
  138    HH   TYR  17           HH       TYR  17   8.725   3.866   3.457
  139    H    ARG  18           HN       ARG  18   7.734  -0.298  -3.855
  140    HA   ARG  18           HA       ARG  18   6.747  -0.113  -6.519
  141   1HB   ARG  18          HB2       ARG  18   8.076  -2.039  -4.976
  142   2HB   ARG  18          HB1       ARG  18   6.536  -2.775  -5.399
  143   1HG   ARG  18          HG2       ARG  18   8.132  -1.436  -7.527
  144   2HG   ARG  18          HG1       ARG  18   8.618  -3.033  -6.955
  145   1HD   ARG  18          HD2       ARG  18   5.752  -2.735  -7.532
  146   2HD   ARG  18          HD1       ARG  18   6.812  -2.583  -8.932
  147    HE   ARG  18           HE       ARG  18   6.174  -4.971  -7.534
  148   1HH1  ARG  18          HH11      ARG  18   8.760  -3.374  -9.249
  149   2HH1  ARG  18          HH12      ARG  18   9.530  -4.853  -9.718
  150   1HH2  ARG  18          HH21      ARG  18   7.185  -6.917  -8.150
  151   2HH2  ARG  18          HH22      ARG  18   8.636  -6.864  -9.096
  152    H    SER  19           HN       SER  19   5.343  -1.242  -3.458
  153    HA   SER  19           HA       SER  19   2.744  -0.403  -4.086
  154   1HB   SER  19          HB2       SER  19   2.913  -2.298  -5.723
  155   2HB   SER  19          HB1       SER  19   3.099  -3.396  -4.356
  156    HG   SER  19           HG       SER  19   1.046  -2.849  -3.667
  157    H    GLY  20           HN       GLY  20   1.122  -1.209  -2.489
  158   1HA   GLY  20          HA2       GLY  20   2.457  -2.098  -0.007
  159   2HA   GLY  20          HA1       GLY  20   1.257  -0.815  -0.016
  160    H    LYS  21           HN       LYS  21   1.073  -3.117   1.575
  161    HA   LYS  21           HA       LYS  21  -1.431  -4.220   0.537
  162   1HB   LYS  21          HB2       LYS  21   0.671  -5.989   1.786
  163   2HB   LYS  21          HB1       LYS  21  -0.840  -6.485   1.036
  164   1HG   LYS  21          HG2       LYS  21  -0.013  -5.764  -1.138
  165   2HG   LYS  21          HG1       LYS  21   1.496  -5.231  -0.393
  166   1HD   LYS  21          HD2       LYS  21   2.171  -7.417   0.081
  167   2HD   LYS  21          HD1       LYS  21   0.536  -8.058  -0.100
  168   1HE   LYS  21          HE2       LYS  21   1.816  -6.769  -2.455
  169   2HE   LYS  21          HE1       LYS  21   2.374  -8.372  -1.977
  170   1HZ   LYS  21          HZ1       LYS  21   0.317  -7.963  -3.604
  171   2HZ   LYS  21          HZ2       LYS  21  -0.506  -8.018  -2.127
  172   3HZ   LYS  21          HZ3       LYS  21   0.452  -9.326  -2.610
  173    H    CYS  22           HN       CYS  22  -2.972  -4.553   2.075
  174    HA   CYS  22           HA       CYS  22  -2.228  -3.826   4.824
  175   1HB   CYS  22          HB2       CYS  22  -3.945  -2.449   3.490
  176   2HB   CYS  22          HB1       CYS  22  -5.034  -3.810   3.737
  177    H    ILE  23           HN       ILE  23  -1.952  -5.538   6.075
  178    HA   ILE  23           HA       ILE  23  -4.011  -7.615   6.087
  179    HB   ILE  23           HB       ILE  23  -1.057  -8.220   6.171
  180   1HG1  ILE  23          HG12      ILE  23  -1.821  -7.497   3.925
  181   2HG1  ILE  23          HG11      ILE  23  -1.321  -9.185   3.957
  182   1HG2  ILE  23          HG21      ILE  23  -1.878 -10.003   7.289
  183   2HG2  ILE  23          HG22      ILE  23  -2.253 -10.572   5.663
  184   3HG2  ILE  23          HG23      ILE  23  -3.504  -9.800   6.637
  185   1HD1  ILE  23          HD11      ILE  23  -3.494  -9.959   3.742
  186   2HD1  ILE  23          HD12      ILE  23  -3.455  -8.547   2.686
  187   3HD1  ILE  23          HD13      ILE  23  -4.196  -8.434   4.282
  188    H    ASN  24           HN       ASN  24  -4.336  -8.616   8.090
  189    HA   ASN  24           HA       ASN  24  -4.501  -8.672  10.361
  190   1HB   ASN  24          HB2       ASN  24  -1.567  -8.276   9.920
  191   2HB   ASN  24          HB1       ASN  24  -2.226  -8.301  11.551
  192   1HD2  ASN  24          HD21      ASN  24  -0.999 -10.146   9.078
  193   2HD2  ASN  24          HD22      ASN  24  -1.521 -11.702   9.616
  194    H    ASN  25           HN       ASN  25  -5.097  -6.178   9.080
  195    HA   ASN  25           HA       ASN  25  -5.683  -4.056   9.651
  196   1HB   ASN  25          HB2       ASN  25  -5.521  -5.468  12.138
  197   2HB   ASN  25          HB1       ASN  25  -4.909  -3.834  12.375
  198   1HD2  ASN  25          HD21      ASN  25  -7.319  -5.016  13.421
  199   2HD2  ASN  25          HD22      ASN  25  -8.635  -4.061  12.837
  200    H    ALA  26           HN       ALA  26  -2.950  -4.758   8.795
  201    HA   ALA  26           HA       ALA  26  -1.687  -2.236   9.554
  202   1HB   ALA  26          HB1       ALA  26   0.476  -3.302   9.956
  203   2HB   ALA  26          HB2       ALA  26  -0.261  -4.888   9.733
  204   3HB   ALA  26          HB3       ALA  26  -0.742  -3.876  11.095
  205    H    CYS  27           HN       CYS  27  -1.124  -1.205   7.753
  206    HA   CYS  27           HA       CYS  27  -0.913  -2.687   5.265
  207   1HB   CYS  27          HB2       CYS  27  -2.146  -0.398   5.718
  208   2HB   CYS  27          HB1       CYS  27  -0.548   0.270   5.411
  209    H    LYS  28           HN       LYS  28   0.975  -3.530   4.751
  210    HA   LYS  28           HA       LYS  28   3.435  -2.138   5.543
  211   1HB   LYS  28          HB2       LYS  28   2.852  -4.694   5.962
  212   2HB   LYS  28          HB1       LYS  28   3.474  -4.860   4.326
  213   1HG   LYS  28          HG2       LYS  28   5.558  -3.722   5.073
  214   2HG   LYS  28          HG1       LYS  28   4.930  -3.767   6.721
  215   1HD   LYS  28          HD2       LYS  28   4.936  -6.322   5.226
  216   2HD   LYS  28          HD1       LYS  28   6.508  -5.678   5.705
  217   1HE   LYS  28          HE2       LYS  28   5.897  -5.671   8.002
  218   2HE   LYS  28          HE1       LYS  28   4.207  -5.998   7.618
  219   1HZ   LYS  28          HZ1       LYS  28   6.491  -7.825   7.666
  220   2HZ   LYS  28          HZ2       LYS  28   5.275  -8.121   6.529
  221   3HZ   LYS  28          HZ3       LYS  28   4.897  -8.075   8.177
  222    H    CYS  29           HN       CYS  29   4.579  -1.060   4.081
  223    HA   CYS  29           HA       CYS  29   3.793  -1.072   1.321
  224   1HB   CYS  29          HB2       CYS  29   5.450   0.570   3.060
  225   2HB   CYS  29          HB1       CYS  29   6.093   0.422   1.432
  226    H    TYR  30           HN       TYR  30   5.414  -1.284  -0.445
  227    HA   TYR  30           HA       TYR  30   7.599  -3.132   0.174
  228   1HB   TYR  30          HB2       TYR  30   5.501  -3.632  -1.946
  229   2HB   TYR  30          HB1       TYR  30   6.959  -4.591  -1.715
  230    HD1  TYR  30           HD1      TYR  30   7.103  -6.223   0.029
  231    HD2  TYR  30           HD2      TYR  30   3.697  -3.691  -0.257
  232    HE1  TYR  30           HE1      TYR  30   5.916  -7.648   1.644
  233    HE2  TYR  30           HE2      TYR  30   2.500  -5.108   1.357
  234    HH   TYR  30           HH       TYR  30   2.586  -7.446   2.174
  235    HA   PRO  31           HA       PRO  31   9.329   0.005  -2.600
  236   1HB   PRO  31          HB2       PRO  31  11.926  -0.668  -2.164
  237   2HB   PRO  31          HB1       PRO  31  10.994   0.348  -1.059
  238   1HG   PRO  31          HG2       PRO  31  11.611  -2.576  -0.878
  239   2HG   PRO  31          HG1       PRO  31  11.646  -1.343   0.397
  240   1HD   PRO  31          HD2       PRO  31   9.582  -3.063   0.105
  241   2HD   PRO  31          HD1       PRO  31   9.359  -1.403   0.693
  242    H    TYR  32           HN       TYR  32  11.086  -0.165  -4.353
  243    HA   TYR  32           HA       TYR  32  10.305  -2.071  -6.244
  244   1HB   TYR  32          HB2       TYR  32  11.714   0.229  -6.366
  245   2HB   TYR  32          HB1       TYR  32  13.028  -0.933  -6.518
  246    HD1  TYR  32           HD1      TYR  32  12.933  -2.631  -8.384
  247    HD2  TYR  32           HD2      TYR  32  10.291   0.697  -8.187
  248    HE1  TYR  32           HE1      TYR  32  12.421  -2.904 -10.774
  249    HE2  TYR  32           HE2      TYR  32   9.770   0.433 -10.575
  250    HH   TYR  32           HH       TYR  32   9.840  -1.241 -12.302
  Start of MODEL   12
    1   1H    ALA   1           HT1      ALA   1 -12.515   3.860  10.489
    2   2H    ALA   1           HT2      ALA   1 -12.949   5.372   9.803
    3   3H    ALA   1           HT3      ALA   1 -11.346   4.782   9.639
    4    HA   ALA   1           HA       ALA   1 -13.793   3.644   8.472
    5   1HB   ALA   1          HB1       ALA   1 -13.216   5.511   7.194
    6   2HB   ALA   1          HB2       ALA   1 -12.462   4.162   6.346
    7   3HB   ALA   1          HB3       ALA   1 -11.487   5.214   7.372
    8    H    VAL   2           HN       VAL   2 -12.859   2.204   6.518
    9    HA   VAL   2           HA       VAL   2 -11.305   0.119   7.852
   10    HB   VAL   2           HB       VAL   2 -12.305  -0.372   5.115
   11   1HG1  VAL   2          HG11      VAL   2 -13.140  -2.233   7.136
   12   2HG1  VAL   2          HG12      VAL   2 -11.425  -1.866   7.314
   13   3HG1  VAL   2          HG13      VAL   2 -12.042  -2.472   5.778
   14   1HG2  VAL   2          HG21      VAL   2 -14.598  -0.930   6.298
   15   2HG2  VAL   2          HG22      VAL   2 -14.279   0.671   5.629
   16   3HG2  VAL   2          HG23      VAL   2 -14.105   0.389   7.361
   17    H    CYS   3           HN       CYS   3  -9.806  -1.149   6.404
   18    HA   CYS   3           HA       CYS   3  -7.790   0.636   5.427
   19   1HB   CYS   3          HB2       CYS   3  -7.229  -1.439   6.637
   20   2HB   CYS   3          HB1       CYS   3  -7.917  -2.386   5.322
   21    H    VAL   4           HN       VAL   4  -7.687   1.452   3.449
   22    HA   VAL   4           HA       VAL   4  -9.166   0.132   1.287
   23    HB   VAL   4           HB       VAL   4  -7.932   2.877   1.163
   24   1HG1  VAL   4          HG11      VAL   4  -8.594   1.798  -0.955
   25   2HG1  VAL   4          HG12      VAL   4  -9.540   3.245  -0.607
   26   3HG1  VAL   4          HG13      VAL   4 -10.240   1.649  -0.340
   27   1HG2  VAL   4          HG21      VAL   4  -9.380   2.989   3.046
   28   2HG2  VAL   4          HG22      VAL   4 -10.636   2.070   2.216
   29   3HG2  VAL   4          HG23      VAL   4 -10.249   3.708   1.690
   30    H    TYR   5           HN       TYR   5  -8.123  -0.974  -0.217
   31    HA   TYR   5           HA       TYR   5  -5.301  -1.227  -0.233
   32   1HB   TYR   5          HB2       TYR   5  -7.215  -2.859  -1.029
   33   2HB   TYR   5          HB1       TYR   5  -6.936  -2.064  -2.571
   34    HD1  TYR   5           HD1      TYR   5  -4.347  -1.888  -3.225
   35    HD2  TYR   5           HD2      TYR   5  -6.027  -4.787  -0.603
   36    HE1  TYR   5           HE1      TYR   5  -2.439  -3.377  -3.658
   37    HE2  TYR   5           HE2      TYR   5  -4.123  -6.284  -1.028
   38    HH   TYR   5           HH       TYR   5  -2.421  -6.600  -2.938
   39    H    ARG   6           HN       ARG   6  -7.589   0.446  -2.345
   40    HA   ARG   6           HA       ARG   6  -5.691   1.272  -4.262
   41   1HB   ARG   6          HB2       ARG   6  -8.358   1.252  -4.220
   42   2HB   ARG   6          HB1       ARG   6  -8.092   2.931  -3.782
   43   1HG   ARG   6          HG2       ARG   6  -6.510   2.945  -5.843
   44   2HG   ARG   6          HG1       ARG   6  -7.427   1.514  -6.317
   45   1HD   ARG   6          HD2       ARG   6  -9.143   2.758  -6.990
   46   2HD   ARG   6          HD1       ARG   6  -9.200   3.607  -5.446
   47    HE   ARG   6           HE       ARG   6  -7.074   4.667  -6.880
   48   1HH1  ARG   6          HH11      ARG   6 -10.544   4.450  -7.182
   49   2HH1  ARG   6          HH12      ARG   6 -10.685   5.931  -8.068
   50   1HH2  ARG   6          HH21      ARG   6  -7.257   6.616  -8.043
   51   2HH2  ARG   6          HH22      ARG   6  -8.819   7.161  -8.558
   52    H    THR   7           HN       THR   7  -6.874   2.731  -1.284
   53    HA   THR   7           HA       THR   7  -5.599   5.252  -1.726
   54    HB   THR   7           HB       THR   7  -6.419   4.153   0.955
   55    HG1  THR   7           HG1      THR   7  -8.109   5.416  -0.937
   56   1HG2  THR   7          HG21      THR   7  -5.491   6.227   1.332
   57   2HG2  THR   7          HG22      THR   7  -7.205   6.603   1.147
   58   3HG2  THR   7          HG23      THR   7  -6.090   6.887  -0.190
   59    H    CYS   8           HN       CYS   8  -4.854   2.332   0.092
   60    HA   CYS   8           HA       CYS   8  -2.445   3.319   1.242
   61   1HB   CYS   8          HB2       CYS   8  -3.701   1.373   2.144
   62   2HB   CYS   8          HB1       CYS   8  -3.238   0.445   0.722
   63    H    ASP   9           HN       ASP   9  -3.222   1.559  -1.700
   64    HA   ASP   9           HA       ASP   9  -0.570   1.002  -2.487
   65   1HB   ASP   9          HB2       ASP   9  -2.682  -0.081  -3.377
   66   2HB   ASP   9          HB1       ASP   9  -2.928   1.375  -4.336
   67    H    LYS  10           HN       LYS  10  -2.839   3.568  -3.478
   68    HA   LYS  10           HA       LYS  10  -1.080   4.905  -5.201
   69   1HB   LYS  10          HB2       LYS  10  -3.694   5.315  -4.158
   70   2HB   LYS  10          HB1       LYS  10  -2.795   6.815  -4.002
   71   1HG   LYS  10          HG2       LYS  10  -2.165   6.031  -6.541
   72   2HG   LYS  10          HG1       LYS  10  -3.835   5.485  -6.380
   73   1HD   LYS  10          HD2       LYS  10  -4.612   7.661  -5.922
   74   2HD   LYS  10          HD1       LYS  10  -2.983   8.262  -5.609
   75   1HE   LYS  10          HE2       LYS  10  -3.377   9.088  -7.722
   76   2HE   LYS  10          HE1       LYS  10  -2.556   7.571  -8.086
   77   1HZ   LYS  10          HZ1       LYS  10  -5.459   7.468  -7.868
   78   2HZ   LYS  10          HZ2       LYS  10  -4.424   6.657  -8.932
   79   3HZ   LYS  10          HZ3       LYS  10  -4.833   8.273  -9.218
   80    H    ASP  11           HN       ASP  11  -1.859   5.579  -1.790
   81    HA   ASP  11           HA       ASP  11  -0.176   7.758  -1.425
   82   1HB   ASP  11          HB2       ASP  11  -1.910   6.414   0.155
   83   2HB   ASP  11          HB1       ASP  11  -0.382   5.880   0.836
   84    H    CYS  12           HN       CYS  12   0.475   4.318  -0.834
   85    HA   CYS  12           HA       CYS  12   3.164   4.678  -0.053
   86   1HB   CYS  12          HB2       CYS  12   1.719   2.620   0.321
   87   2HB   CYS  12          HB1       CYS  12   2.055   2.192  -1.353
   88    H    LYS  13           HN       LYS  13   1.649   4.086  -3.188
   89    HA   LYS  13           HA       LYS  13   3.918   3.562  -4.708
   90   1HB   LYS  13          HB2       LYS  13   1.174   4.283  -5.210
   91   2HB   LYS  13          HB1       LYS  13   2.228   5.153  -6.314
   92   1HG   LYS  13          HG2       LYS  13   2.222   3.335  -7.581
   93   2HG   LYS  13          HG1       LYS  13   3.219   2.569  -6.343
   94   1HD   LYS  13          HD2       LYS  13   1.509   1.314  -5.555
   95   2HD   LYS  13          HD1       LYS  13   0.313   2.581  -5.835
   96   1HE   LYS  13          HE2       LYS  13   0.034   0.540  -7.258
   97   2HE   LYS  13          HE1       LYS  13   0.180   2.052  -8.152
   98   1HZ   LYS  13          HZ1       LYS  13   1.512   0.281  -9.133
   99   2HZ   LYS  13          HZ2       LYS  13   2.384   0.115  -7.693
  100   3HZ   LYS  13          HZ3       LYS  13   2.492   1.547  -8.586
  101    H    ARG  14           HN       ARG  14   2.400   6.682  -3.946
  102    HA   ARG  14           HA       ARG  14   4.365   8.221  -5.319
  103   1HB   ARG  14          HB2       ARG  14   1.915   8.704  -3.919
  104   2HB   ARG  14          HB1       ARG  14   3.142   9.802  -3.303
  105   1HG   ARG  14          HG2       ARG  14   2.427   9.462  -6.208
  106   2HG   ARG  14          HG1       ARG  14   1.848  10.757  -5.159
  107   1HD   ARG  14          HD2       ARG  14   3.791  11.882  -5.272
  108   2HD   ARG  14          HD1       ARG  14   4.760  10.412  -5.172
  109    HE   ARG  14           HE       ARG  14   3.714  10.324  -7.675
  110   1HH1  ARG  14          HH11      ARG  14   5.534  12.715  -5.900
  111   2HH1  ARG  14          HH12      ARG  14   6.293  13.368  -7.313
  112   1HH2  ARG  14          HH21      ARG  14   4.712  11.182  -9.535
  113   2HH2  ARG  14          HH22      ARG  14   5.827  12.498  -9.377
  114    H    ARG  15           HN       ARG  15   4.460   6.535  -2.403
  115    HA   ARG  15           HA       ARG  15   6.383   8.329  -1.152
  116   1HB   ARG  15          HB2       ARG  15   4.672   6.112  -0.260
  117   2HB   ARG  15          HB1       ARG  15   6.274   6.125   0.465
  118   1HG   ARG  15          HG2       ARG  15   4.293   8.392   0.504
  119   2HG   ARG  15          HG1       ARG  15   4.681   7.319   1.849
  120   1HD   ARG  15          HD2       ARG  15   7.142   8.293   1.001
  121   2HD   ARG  15          HD1       ARG  15   6.062   9.683   0.906
  122    HE   ARG  15           HE       ARG  15   5.942   9.708   3.194
  123   1HH1  ARG  15          HH11      ARG  15   7.325   6.675   2.162
  124   2HH1  ARG  15          HH12      ARG  15   7.757   6.183   3.765
  125   1HH2  ARG  15          HH21      ARG  15   6.510   9.063   5.304
  126   2HH2  ARG  15          HH22      ARG  15   7.294   7.538   5.548
  127    H    GLY  16           HN       GLY  16   6.850   6.630  -3.657
  128   1HA   GLY  16          HA2       GLY  16   8.741   5.710  -4.579
  129   2HA   GLY  16          HA1       GLY  16   9.543   5.947  -3.037
  130    H    TYR  17           HN       TYR  17   6.676   4.012  -3.874
  131    HA   TYR  17           HA       TYR  17   8.192   1.602  -3.142
  132   1HB   TYR  17          HB2       TYR  17   5.443   2.366  -2.153
  133   2HB   TYR  17          HB1       TYR  17   6.106   0.740  -2.018
  134    HD1  TYR  17           HD1      TYR  17   7.617   0.182  -0.286
  135    HD2  TYR  17           HD2      TYR  17   6.587   4.256  -0.953
  136    HE1  TYR  17           HE1      TYR  17   8.710   0.799   1.829
  137    HE2  TYR  17           HE2      TYR  17   7.678   4.884   1.159
  138    HH   TYR  17           HH       TYR  17   9.493   3.941   2.647
  139    H    ARG  18           HN       ARG  18   6.522  -0.374  -3.600
  140    HA   ARG  18           HA       ARG  18   5.685   0.009  -6.392
  141   1HB   ARG  18          HB2       ARG  18   7.584  -1.664  -5.594
  142   2HB   ARG  18          HB1       ARG  18   6.204  -2.705  -5.279
  143   1HG   ARG  18          HG2       ARG  18   5.487  -2.337  -7.638
  144   2HG   ARG  18          HG1       ARG  18   7.009  -1.486  -7.904
  145   1HD   ARG  18          HD2       ARG  18   8.106  -3.404  -8.158
  146   2HD   ARG  18          HD1       ARG  18   7.489  -4.017  -6.626
  147    HE   ARG  18           HE       ARG  18   6.498  -4.609  -9.265
  148   1HH1  ARG  18          HH11      ARG  18   5.748  -4.553  -5.856
  149   2HH1  ARG  18          HH12      ARG  18   4.492  -5.737  -5.986
  150   1HH2  ARG  18          HH21      ARG  18   4.847  -6.167  -9.436
  151   2HH2  ARG  18          HH22      ARG  18   3.981  -6.654  -8.018
  152    H    SER  19           HN       SER  19   4.950  -2.206  -3.684
  153    HA   SER  19           HA       SER  19   2.170  -1.548  -3.702
  154   1HB   SER  19          HB2       SER  19   2.685  -4.370  -4.593
  155   2HB   SER  19          HB1       SER  19   1.207  -3.417  -4.719
  156    HG   SER  19           HG       SER  19   1.897  -2.575  -6.532
  157    H    GLY  20           HN       GLY  20   0.905  -2.985  -2.222
  158   1HA   GLY  20          HA2       GLY  20   2.434  -4.672  -0.433
  159   2HA   GLY  20          HA1       GLY  20   1.899  -3.158   0.276
  160    H    LYS  21           HN       LYS  21   0.823  -4.691   1.752
  161    HA   LYS  21           HA       LYS  21  -1.920  -5.095   0.871
  162   1HB   LYS  21          HB2       LYS  21  -0.027  -7.276   1.497
  163   2HB   LYS  21          HB1       LYS  21  -1.606  -7.404   2.259
  164   1HG   LYS  21          HG2       LYS  21  -2.299  -6.799  -0.294
  165   2HG   LYS  21          HG1       LYS  21  -0.830  -7.742  -0.544
  166   1HD   LYS  21          HD2       LYS  21  -1.815  -9.658   0.090
  167   2HD   LYS  21          HD1       LYS  21  -2.652  -8.888   1.439
  168   1HE   LYS  21          HE2       LYS  21  -4.344  -8.023  -0.075
  169   2HE   LYS  21          HE1       LYS  21  -3.487  -8.712  -1.454
  170   1HZ   LYS  21          HZ1       LYS  21  -3.809 -10.925  -0.339
  171   2HZ   LYS  21          HZ2       LYS  21  -5.217 -10.197  -0.930
  172   3HZ   LYS  21          HZ3       LYS  21  -4.877 -10.157   0.726
  173    H    CYS  22           HN       CYS  22  -3.352  -5.665   2.747
  174    HA   CYS  22           HA       CYS  22  -2.433  -4.193   5.110
  175   1HB   CYS  22          HB2       CYS  22  -4.711  -3.875   3.663
  176   2HB   CYS  22          HB1       CYS  22  -5.277  -4.966   4.924
  177    H    ILE  23           HN       ILE  23  -1.594  -5.466   6.625
  178    HA   ILE  23           HA       ILE  23  -3.077  -7.885   7.380
  179    HB   ILE  23           HB       ILE  23  -0.069  -7.675   7.438
  180   1HG1  ILE  23          HG12      ILE  23  -0.582  -9.582   5.581
  181   2HG1  ILE  23          HG11      ILE  23  -1.933  -8.490   5.289
  182   1HG2  ILE  23          HG21      ILE  23  -0.648 -10.308   7.464
  183   2HG2  ILE  23          HG22      ILE  23  -2.049  -9.666   8.321
  184   3HG2  ILE  23          HG23      ILE  23  -0.423  -9.336   8.918
  185   1HD1  ILE  23          HD11      ILE  23  -0.181  -6.642   5.176
  186   2HD1  ILE  23          HD12      ILE  23  -0.262  -7.779   3.831
  187   3HD1  ILE  23          HD13      ILE  23   1.000  -7.945   5.051
  188    H    ASN  24           HN       ASN  24  -3.259  -8.288   9.559
  189    HA   ASN  24           HA       ASN  24  -3.483  -7.709  11.758
  190   1HB   ASN  24          HB2       ASN  24  -0.598  -6.983  11.272
  191   2HB   ASN  24          HB1       ASN  24  -1.335  -7.054  12.868
  192   1HD2  ASN  24          HD21      ASN  24  -0.459  -8.774  13.804
  193   2HD2  ASN  24          HD22      ASN  24  -0.422 -10.368  13.138
  194    H    ASN  25           HN       ASN  25  -4.719  -5.878  10.409
  195    HA   ASN  25           HA       ASN  25  -5.378  -3.700  10.224
  196   1HB   ASN  25          HB2       ASN  25  -5.608  -2.539  12.331
  197   2HB   ASN  25          HB1       ASN  25  -5.926  -4.252  12.587
  198   1HD2  ASN  25          HD21      ASN  25  -3.687  -1.639  13.115
  199   2HD2  ASN  25          HD22      ASN  25  -2.767  -2.414  14.354
  200    H    ALA  26           HN       ALA  26  -2.633  -4.239   9.406
  201    HA   ALA  26           HA       ALA  26  -1.651  -1.486   9.531
  202   1HB   ALA  26          HB1       ALA  26  -0.368  -2.517  11.251
  203   2HB   ALA  26          HB2       ALA  26   0.685  -2.345   9.846
  204   3HB   ALA  26          HB3       ALA  26  -0.017  -3.916  10.236
  205    H    CYS  27           HN       CYS  27  -1.359  -0.793   7.524
  206    HA   CYS  27           HA       CYS  27  -1.196  -2.664   5.329
  207   1HB   CYS  27          HB2       CYS  27  -2.458  -0.355   5.477
  208   2HB   CYS  27          HB1       CYS  27  -0.901   0.290   4.970
  209    H    LYS  28           HN       LYS  28   0.699  -3.558   4.850
  210    HA   LYS  28           HA       LYS  28   3.121  -1.886   5.024
  211   1HB   LYS  28          HB2       LYS  28   2.551  -4.531   5.999
  212   2HB   LYS  28          HB1       LYS  28   3.864  -4.605   4.833
  213   1HG   LYS  28          HG2       LYS  28   5.169  -4.121   6.577
  214   2HG   LYS  28          HG1       LYS  28   4.601  -2.466   6.346
  215   1HD   LYS  28          HD2       LYS  28   2.737  -2.964   7.931
  216   2HD   LYS  28          HD1       LYS  28   3.490  -4.529   8.245
  217   1HE   LYS  28          HE2       LYS  28   5.589  -2.847   8.618
  218   2HE   LYS  28          HE1       LYS  28   4.247  -1.843   9.165
  219   1HZ   LYS  28          HZ1       LYS  28   3.672  -4.135  10.380
  220   2HZ   LYS  28          HZ2       LYS  28   4.621  -2.925  11.085
  221   3HZ   LYS  28          HZ3       LYS  28   5.360  -4.253  10.341
  222    H    CYS  29           HN       CYS  29   4.108  -1.398   3.181
  223    HA   CYS  29           HA       CYS  29   3.655  -3.120   0.840
  224   1HB   CYS  29          HB2       CYS  29   3.945  -0.856  -0.445
  225   2HB   CYS  29          HB1       CYS  29   2.383  -1.285   0.239
  226    H    TYR  30           HN       TYR  30   5.313  -2.826  -0.879
  227    HA   TYR  30           HA       TYR  30   7.937  -2.078   0.203
  228   1HB   TYR  30          HB2       TYR  30   7.856  -4.437  -1.583
  229   2HB   TYR  30          HB1       TYR  30   8.879  -4.118  -0.186
  230    HD1  TYR  30           HD1      TYR  30   7.908  -4.449   2.122
  231    HD2  TYR  30           HD2      TYR  30   5.926  -5.772  -1.402
  232    HE1  TYR  30           HE1      TYR  30   6.508  -5.948   3.478
  233    HE2  TYR  30           HE2      TYR  30   4.521  -7.275  -0.056
  234    HH   TYR  30           HH       TYR  30   3.804  -7.115   2.732
  235    HA   PRO  31           HA       PRO  31   8.486  -0.213  -3.775
  236   1HB   PRO  31          HB2       PRO  31  11.121   0.196  -3.767
  237   2HB   PRO  31          HB1       PRO  31  10.070   1.016  -2.605
  238   1HG   PRO  31          HG2       PRO  31  11.825  -1.372  -2.217
  239   2HG   PRO  31          HG1       PRO  31  11.541  -0.002  -1.130
  240   1HD   PRO  31          HD2       PRO  31  10.306  -2.475  -0.924
  241   2HD   PRO  31          HD1       PRO  31   9.686  -0.968  -0.224
  242    H    TYR  32           HN       TYR  32  10.193  -0.357  -5.685
  243    HA   TYR  32           HA       TYR  32   9.842  -2.873  -6.892
  244   1HB   TYR  32          HB2       TYR  32  11.177  -0.335  -7.580
  245   2HB   TYR  32          HB1       TYR  32  11.847  -1.760  -8.367
  246    HD1  TYR  32           HD1      TYR  32   9.127   0.601  -8.291
  247    HD2  TYR  32           HD2      TYR  32  10.327  -3.210  -9.754
  248    HE1  TYR  32           HE1      TYR  32   7.311   0.671  -9.947
  249    HE2  TYR  32           HE2      TYR  32   8.515  -3.150 -11.415
  250    HH   TYR  32           HH       TYR  32   6.928  -0.462 -12.308
  Start of MODEL   13
    1   1H    ALA   1           HT1      ALA   1 -13.052   3.761  10.471
    2   2H    ALA   1           HT2      ALA   1 -13.601   5.309   9.973
    3   3H    ALA   1           HT3      ALA   1 -11.919   4.976  10.050
    4    HA   ALA   1           HA       ALA   1 -13.921   4.067   8.132
    5   1HB   ALA   1          HB1       ALA   1 -12.497   4.986   6.536
    6   2HB   ALA   1          HB2       ALA   1 -11.104   4.949   7.617
    7   3HB   ALA   1          HB3       ALA   1 -12.395   6.121   7.881
    8    H    VAL   2           HN       VAL   2 -12.566   2.757   6.341
    9    HA   VAL   2           HA       VAL   2 -11.392   0.467   7.772
   10    HB   VAL   2           HB       VAL   2 -12.108  -0.458   5.247
   11   1HG1  VAL   2          HG11      VAL   2 -12.385  -1.271   7.788
   12   2HG1  VAL   2          HG12      VAL   2 -13.209  -2.035   6.428
   13   3HG1  VAL   2          HG13      VAL   2 -14.059  -0.853   7.424
   14   1HG2  VAL   2          HG21      VAL   2 -13.451   1.569   4.886
   15   2HG2  VAL   2          HG22      VAL   2 -14.368   1.210   6.349
   16   3HG2  VAL   2          HG23      VAL   2 -14.452   0.118   4.966
   17    H    CYS   3           HN       CYS   3  -9.655  -0.661   6.776
   18    HA   CYS   3           HA       CYS   3  -7.717   1.022   5.595
   19   1HB   CYS   3          HB2       CYS   3  -7.094  -0.887   6.987
   20   2HB   CYS   3          HB1       CYS   3  -7.795  -1.995   5.812
   21    H    VAL   4           HN       VAL   4  -7.604   1.682   3.562
   22    HA   VAL   4           HA       VAL   4  -8.958   0.124   1.480
   23    HB   VAL   4           HB       VAL   4  -7.819   2.891   1.150
   24   1HG1  VAL   4          HG11      VAL   4  -9.298   3.045  -0.719
   25   2HG1  VAL   4          HG12      VAL   4 -10.084   1.526  -0.292
   26   3HG1  VAL   4          HG13      VAL   4  -8.415   1.525  -0.860
   27   1HG2  VAL   4          HG21      VAL   4  -9.441   2.780   3.061
   28   2HG2  VAL   4          HG22      VAL   4 -10.664   2.252   1.905
   29   3HG2  VAL   4          HG23      VAL   4  -9.922   3.844   1.739
   30    H    TYR   5           HN       TYR   5  -7.806  -1.128   0.200
   31    HA   TYR   5           HA       TYR   5  -4.983  -1.231   0.270
   32   1HB   TYR   5          HB2       TYR   5  -6.434  -3.178  -0.183
   33   2HB   TYR   5          HB1       TYR   5  -6.854  -2.464  -1.730
   34    HD1  TYR   5           HD1      TYR   5  -4.831  -1.921  -3.312
   35    HD2  TYR   5           HD2      TYR   5  -4.678  -4.680  -0.078
   36    HE1  TYR   5           HE1      TYR   5  -2.894  -3.023  -4.352
   37    HE2  TYR   5           HE2      TYR   5  -2.741  -5.789  -1.107
   38    HH   TYR   5           HH       TYR   5  -1.788  -6.034  -3.446
   39    H    ARG   6           HN       ARG   6  -7.255  -0.050  -2.188
   40    HA   ARG   6           HA       ARG   6  -5.293   0.624  -4.092
   41   1HB   ARG   6          HB2       ARG   6  -7.942   0.408  -4.207
   42   2HB   ARG   6          HB1       ARG   6  -7.827   2.149  -4.014
   43   1HG   ARG   6          HG2       ARG   6  -6.263   2.175  -5.968
   44   2HG   ARG   6          HG1       ARG   6  -6.654   0.472  -6.212
   45   1HD   ARG   6          HD2       ARG   6  -8.233   1.348  -7.577
   46   2HD   ARG   6          HD1       ARG   6  -9.133   1.464  -6.065
   47    HE   ARG   6           HE       ARG   6  -7.823   3.825  -6.181
   48   1HH1  ARG   6          HH11      ARG   6  -9.865   2.121  -8.441
   49   2HH1  ARG   6          HH12      ARG   6 -10.464   3.567  -9.182
   50   1HH2  ARG   6          HH21      ARG   6  -8.610   5.728  -7.155
   51   2HH2  ARG   6          HH22      ARG   6  -9.751   5.614  -8.453
   52    H    THR   7           HN       THR   7  -6.898   2.565  -1.587
   53    HA   THR   7           HA       THR   7  -5.634   4.998  -2.366
   54    HB   THR   7           HB       THR   7  -6.829   4.333   0.325
   55    HG1  THR   7           HG1      THR   7  -8.748   5.214  -0.577
   56   1HG2  THR   7          HG21      THR   7  -6.333   6.929  -1.092
   57   2HG2  THR   7          HG22      THR   7  -5.724   6.409   0.479
   58   3HG2  THR   7          HG23      THR   7  -7.439   6.765   0.272
   59    H    CYS   8           HN       CYS   8  -4.992   2.494   0.005
   60    HA   CYS   8           HA       CYS   8  -2.791   3.826   1.236
   61   1HB   CYS   8          HB2       CYS   8  -4.121   1.943   2.260
   62   2HB   CYS   8          HB1       CYS   8  -3.294   0.846   1.159
   63    H    ASP   9           HN       ASP   9  -3.104   1.440  -1.346
   64    HA   ASP   9           HA       ASP   9  -0.367   0.954  -1.746
   65   1HB   ASP   9          HB2       ASP   9  -2.250  -0.419  -2.679
   66   2HB   ASP   9          HB1       ASP   9  -2.543   0.867  -3.845
   67    H    LYS  10           HN       LYS  10  -2.596   3.236  -3.312
   68    HA   LYS  10           HA       LYS  10  -0.692   4.359  -5.055
   69   1HB   LYS  10          HB2       LYS  10  -3.436   4.746  -4.431
   70   2HB   LYS  10          HB1       LYS  10  -2.644   6.313  -4.409
   71   1HG   LYS  10          HG2       LYS  10  -2.109   6.228  -6.641
   72   2HG   LYS  10          HG1       LYS  10  -2.152   4.465  -6.692
   73   1HD   LYS  10          HD2       LYS  10  -4.670   4.726  -6.218
   74   2HD   LYS  10          HD1       LYS  10  -4.438   6.407  -6.700
   75   1HE   LYS  10          HE2       LYS  10  -4.868   5.630  -8.764
   76   2HE   LYS  10          HE1       LYS  10  -3.182   5.117  -8.723
   77   1HZ   LYS  10          HZ1       LYS  10  -5.108   3.264  -7.581
   78   2HZ   LYS  10          HZ2       LYS  10  -3.750   2.960  -8.542
   79   3HZ   LYS  10          HZ3       LYS  10  -5.194   3.474  -9.258
   80    H    ASP  11           HN       ASP  11  -1.777   5.306  -1.819
   81    HA   ASP  11           HA       ASP  11  -0.409   7.724  -1.609
   82   1HB   ASP  11          HB2       ASP  11  -2.056   6.332   0.024
   83   2HB   ASP  11          HB1       ASP  11  -0.517   6.065   0.825
   84    H    CYS  12           HN       CYS  12   0.620   4.473  -0.604
   85    HA   CYS  12           HA       CYS  12   3.226   5.312   0.172
   86   1HB   CYS  12          HB2       CYS  12   1.972   3.214   0.928
   87   2HB   CYS  12          HB1       CYS  12   2.470   2.499  -0.602
   88    H    LYS  13           HN       LYS  13   1.912   3.818  -2.763
   89    HA   LYS  13           HA       LYS  13   4.285   3.313  -4.111
   90   1HB   LYS  13          HB2       LYS  13   2.506   2.418  -5.236
   91   2HB   LYS  13          HB1       LYS  13   1.462   3.788  -4.896
   92   1HG   LYS  13          HG2       LYS  13   3.730   4.096  -6.811
   93   2HG   LYS  13          HG1       LYS  13   2.233   3.313  -7.325
   94   1HD   LYS  13          HD2       LYS  13   1.339   5.554  -6.003
   95   2HD   LYS  13          HD1       LYS  13   2.797   6.130  -6.814
   96   1HE   LYS  13          HE2       LYS  13   1.858   4.993  -8.907
   97   2HE   LYS  13          HE1       LYS  13   0.333   4.912  -8.026
   98   1HZ   LYS  13          HZ1       LYS  13   1.313   7.045  -9.484
   99   2HZ   LYS  13          HZ2       LYS  13   1.425   7.520  -7.864
  100   3HZ   LYS  13          HZ3       LYS  13  -0.063   7.026  -8.499
  101    H    ARG  14           HN       ARG  14   2.441   6.303  -3.819
  102    HA   ARG  14           HA       ARG  14   3.952   7.785  -5.694
  103   1HB   ARG  14          HB2       ARG  14   1.708   8.459  -5.001
  104   2HB   ARG  14          HB1       ARG  14   2.275   8.709  -3.356
  105   1HG   ARG  14          HG2       ARG  14   2.502  10.836  -3.962
  106   2HG   ARG  14          HG1       ARG  14   3.969  10.296  -4.777
  107   1HD   ARG  14          HD2       ARG  14   2.664   9.940  -6.836
  108   2HD   ARG  14          HD1       ARG  14   1.228  10.546  -6.011
  109    HE   ARG  14           HE       ARG  14   3.310  12.445  -5.848
  110   1HH1  ARG  14          HH11      ARG  14   1.045  11.083  -8.127
  111   2HH1  ARG  14          HH12      ARG  14   0.990  12.505  -9.113
  112   1HH2  ARG  14          HH21      ARG  14   3.240  14.316  -7.145
  113   2HH2  ARG  14          HH22      ARG  14   2.237  14.341  -8.557
  114    H    ARG  15           HN       ARG  15   4.458   6.915  -2.375
  115    HA   ARG  15           HA       ARG  15   6.373   8.971  -1.808
  116   1HB   ARG  15          HB2       ARG  15   5.932   6.331  -0.400
  117   2HB   ARG  15          HB1       ARG  15   6.826   7.707   0.230
  118   1HG   ARG  15          HG2       ARG  15   4.432   8.856  -0.307
  119   2HG   ARG  15          HG1       ARG  15   3.937   7.218   0.123
  120   1HD   ARG  15          HD2       ARG  15   4.455   7.506   2.285
  121   2HD   ARG  15          HD1       ARG  15   5.959   8.347   1.908
  122    HE   ARG  15           HE       ARG  15   4.045  10.173   1.316
  123   1HH1  ARG  15          HH11      ARG  15   4.737   8.249   4.144
  124   2HH1  ARG  15          HH12      ARG  15   4.106   9.422   5.250
  125   1HH2  ARG  15          HH21      ARG  15   3.215  11.717   2.770
  126   2HH2  ARG  15          HH22      ARG  15   3.241  11.390   4.471
  127    H    GLY  16           HN       GLY  16   6.533   5.570  -2.764
  128   1HA   GLY  16          HA2       GLY  16   8.635   5.554  -4.403
  129   2HA   GLY  16          HA1       GLY  16   9.418   5.626  -2.835
  130    H    TYR  17           HN       TYR  17   6.490   3.881  -3.814
  131    HA   TYR  17           HA       TYR  17   7.911   1.360  -3.284
  132   1HB   TYR  17          HB2       TYR  17   5.197   2.182  -2.248
  133   2HB   TYR  17          HB1       TYR  17   5.777   0.519  -2.232
  134    HD1  TYR  17           HD1      TYR  17   6.924   3.919  -1.171
  135    HD2  TYR  17           HD2      TYR  17   6.764  -0.240  -0.292
  136    HE1  TYR  17           HE1      TYR  17   8.044   4.337   0.978
  137    HE2  TYR  17           HE2      TYR  17   7.882   0.166   1.860
  138    HH   TYR  17           HH       TYR  17   8.027   2.879   3.375
  139    H    ARG  18           HN       ARG  18   6.380  -0.554  -3.983
  140    HA   ARG  18           HA       ARG  18   5.249   0.156  -6.609
  141   1HB   ARG  18          HB2       ARG  18   6.074  -1.901  -7.523
  142   2HB   ARG  18          HB1       ARG  18   7.411  -1.070  -6.743
  143   1HG   ARG  18          HG2       ARG  18   7.832  -2.859  -5.518
  144   2HG   ARG  18          HG1       ARG  18   6.210  -2.793  -4.831
  145   1HD   ARG  18          HD2       ARG  18   5.755  -4.700  -5.875
  146   2HD   ARG  18          HD1       ARG  18   5.901  -3.845  -7.409
  147    HE   ARG  18           HE       ARG  18   8.466  -4.549  -6.567
  148   1HH1  ARG  18          HH11      ARG  18   5.528  -6.106  -7.627
  149   2HH1  ARG  18          HH12      ARG  18   6.348  -7.477  -8.294
  150   1HH2  ARG  18          HH21      ARG  18   9.546  -6.351  -7.444
  151   2HH2  ARG  18          HH22      ARG  18   8.629  -7.617  -8.190
  152    H    SER  19           HN       SER  19   4.911  -1.807  -3.713
  153    HA   SER  19           HA       SER  19   2.102  -2.177  -4.341
  154   1HB   SER  19          HB2       SER  19   3.866  -4.577  -3.803
  155   2HB   SER  19          HB1       SER  19   2.124  -4.595  -4.076
  156    HG   SER  19           HG       SER  19   2.567  -3.736  -6.184
  157    H    GLY  20           HN       GLY  20   1.132  -3.665  -2.470
  158   1HA   GLY  20          HA2       GLY  20   2.258  -3.744   0.065
  159   2HA   GLY  20          HA1       GLY  20   1.476  -2.176  -0.077
  160    H    LYS  21           HN       LYS  21   0.716  -4.113   1.798
  161    HA   LYS  21           HA       LYS  21  -2.058  -4.494   0.992
  162   1HB   LYS  21          HB2       LYS  21  -0.656  -6.802   2.301
  163   2HB   LYS  21          HB1       LYS  21  -2.170  -6.791   1.408
  164   1HG   LYS  21          HG2       LYS  21  -0.890  -6.363  -0.668
  165   2HG   LYS  21          HG1       LYS  21   0.601  -6.519   0.263
  166   1HD   LYS  21          HD2       LYS  21  -1.506  -8.668   0.102
  167   2HD   LYS  21          HD1       LYS  21  -0.101  -8.592  -0.962
  168   1HE   LYS  21          HE2       LYS  21   1.268  -9.396   0.614
  169   2HE   LYS  21          HE1       LYS  21   0.586  -8.351   1.860
  170   1HZ   LYS  21          HZ1       LYS  21  -1.089 -10.561   0.989
  171   2HZ   LYS  21          HZ2       LYS  21  -0.833  -9.943   2.542
  172   3HZ   LYS  21          HZ3       LYS  21   0.303 -10.988   1.851
  173    H    CYS  22           HN       CYS  22  -3.363  -5.349   2.924
  174    HA   CYS  22           HA       CYS  22  -2.431  -3.938   5.330
  175   1HB   CYS  22          HB2       CYS  22  -4.756  -3.569   3.944
  176   2HB   CYS  22          HB1       CYS  22  -5.271  -4.707   5.185
  177    H    ILE  23           HN       ILE  23  -1.238  -5.661   6.188
  178    HA   ILE  23           HA       ILE  23  -2.735  -8.080   6.882
  179    HB   ILE  23           HB       ILE  23  -0.573  -8.358   5.700
  180   1HG1  ILE  23          HG12      ILE  23   0.418  -9.811   7.763
  181   2HG1  ILE  23          HG11      ILE  23  -1.223  -9.530   8.337
  182   1HG2  ILE  23          HG21      ILE  23   1.488  -7.769   6.627
  183   2HG2  ILE  23          HG22      ILE  23   0.794  -7.493   8.224
  184   3HG2  ILE  23          HG23      ILE  23   0.466  -6.360   6.913
  185   1HD1  ILE  23          HD11      ILE  23  -0.874 -11.648   7.058
  186   2HD1  ILE  23          HD12      ILE  23  -0.595 -10.657   5.626
  187   3HD1  ILE  23          HD13      ILE  23  -2.156 -10.604   6.444
  188    H    ASN  24           HN       ASN  24  -3.093  -8.695   8.958
  189    HA   ASN  24           HA       ASN  24  -3.463  -8.432  11.193
  190   1HB   ASN  24          HB2       ASN  24  -0.584  -7.647  10.890
  191   2HB   ASN  24          HB1       ASN  24  -1.373  -7.623  12.462
  192   1HD2  ASN  24          HD21      ASN  24   0.684  -9.362  10.866
  193   2HD2  ASN  24          HD22      ASN  24   0.222 -10.968  11.306
  194    H    ASN  25           HN       ASN  25  -4.541  -6.381   9.749
  195    HA   ASN  25           HA       ASN  25  -5.425  -4.295   9.954
  196   1HB   ASN  25          HB2       ASN  25  -4.882  -5.194  12.665
  197   2HB   ASN  25          HB1       ASN  25  -4.809  -3.440  12.533
  198   1HD2  ASN  25          HD21      ASN  25  -6.784  -5.836  13.332
  199   2HD2  ASN  25          HD22      ASN  25  -8.310  -5.169  12.872
  200    H    ALA  26           HN       ALA  26  -2.614  -4.665   9.142
  201    HA   ALA  26           HA       ALA  26  -1.733  -1.903   9.596
  202   1HB   ALA  26          HB1       ALA  26   0.040  -4.335   9.790
  203   2HB   ALA  26          HB2       ALA  26  -0.415  -3.258  11.110
  204   3HB   ALA  26          HB3       ALA  26   0.603  -2.664   9.798
  205    H    CYS  27           HN       CYS  27  -1.252  -0.878   7.764
  206    HA   CYS  27           HA       CYS  27  -1.261  -2.376   5.278
  207   1HB   CYS  27          HB2       CYS  27  -2.435  -0.083   5.815
  208   2HB   CYS  27          HB1       CYS  27  -0.860   0.587   5.406
  209    H    LYS  28           HN       LYS  28   0.624  -3.338   4.823
  210    HA   LYS  28           HA       LYS  28   3.098  -1.776   5.123
  211   1HB   LYS  28          HB2       LYS  28   2.427  -4.523   5.684
  212   2HB   LYS  28          HB1       LYS  28   3.743  -4.453   4.521
  213   1HG   LYS  28          HG2       LYS  28   4.162  -2.582   6.677
  214   2HG   LYS  28          HG1       LYS  28   3.923  -4.221   7.285
  215   1HD   LYS  28          HD2       LYS  28   5.755  -5.054   6.085
  216   2HD   LYS  28          HD1       LYS  28   5.804  -3.651   5.016
  217   1HE   LYS  28          HE2       LYS  28   7.026  -2.434   6.463
  218   2HE   LYS  28          HE1       LYS  28   6.151  -3.043   7.867
  219   1HZ   LYS  28          HZ1       LYS  28   7.880  -4.951   6.521
  220   2HZ   LYS  28          HZ2       LYS  28   7.622  -4.701   8.174
  221   3HZ   LYS  28          HZ3       LYS  28   8.668  -3.683   7.319
  222    H    CYS  29           HN       CYS  29   4.171  -1.139   3.365
  223    HA   CYS  29           HA       CYS  29   3.427  -2.340   0.781
  224   1HB   CYS  29          HB2       CYS  29   4.303   0.025  -0.050
  225   2HB   CYS  29          HB1       CYS  29   2.637  -0.214   0.458
  226    H    TYR  30           HN       TYR  30   5.063  -2.557  -0.804
  227    HA   TYR  30           HA       TYR  30   7.812  -2.342   0.226
  228   1HB   TYR  30          HB2       TYR  30   6.996  -4.602  -1.575
  229   2HB   TYR  30          HB1       TYR  30   8.388  -4.488  -0.504
  230    HD1  TYR  30           HD1      TYR  30   8.124  -4.860   1.916
  231    HD2  TYR  30           HD2      TYR  30   4.860  -5.349  -0.769
  232    HE1  TYR  30           HE1      TYR  30   6.894  -6.101   3.646
  233    HE2  TYR  30           HE2      TYR  30   3.621  -6.590   0.954
  234    HH   TYR  30           HH       TYR  30   4.029  -7.853   2.966
  235    HA   PRO  31           HA       PRO  31   8.494  -0.408  -3.713
  236   1HB   PRO  31          HB2       PRO  31  11.119   0.010  -3.531
  237   2HB   PRO  31          HB1       PRO  31   9.993   0.830  -2.441
  238   1HG   PRO  31          HG2       PRO  31  11.751  -1.529  -1.930
  239   2HG   PRO  31          HG1       PRO  31  11.346  -0.177  -0.858
  240   1HD   PRO  31          HD2       PRO  31  10.156  -2.702  -0.816
  241   2HD   PRO  31          HD1       PRO  31   9.494  -1.235  -0.071
  242    H    TYR  32           HN       TYR  32  10.060  -0.593  -5.614
  243    HA   TYR  32           HA       TYR  32   9.960  -3.231  -6.628
  244   1HB   TYR  32          HB2       TYR  32  10.409  -0.647  -7.663
  245   2HB   TYR  32          HB1       TYR  32  11.832  -1.593  -8.085
  246    HD1  TYR  32           HD1      TYR  32   8.292  -1.063  -8.691
  247    HD2  TYR  32           HD2      TYR  32  11.595  -3.626  -9.479
  248    HE1  TYR  32           HE1      TYR  32   7.053  -2.076 -10.557
  249    HE2  TYR  32           HE2      TYR  32  10.365  -4.646 -11.348
  250    HH   TYR  32           HH       TYR  32   8.527  -4.087 -12.867
  Start of MODEL   14
    1   1H    ALA   1           HT1      ALA   1 -13.144   6.182   9.610
    2   2H    ALA   1           HT2      ALA   1 -11.465   5.832   9.659
    3   3H    ALA   1           HT3      ALA   1 -12.597   4.708  10.292
    4    HA   ALA   1           HA       ALA   1 -13.563   4.706   7.972
    5   1HB   ALA   1          HB1       ALA   1 -12.186   5.354   6.205
    6   2HB   ALA   1          HB2       ALA   1 -10.759   5.466   7.234
    7   3HB   ALA   1          HB3       ALA   1 -12.037   6.674   7.365
    8    H    VAL   2           HN       VAL   2 -12.391   3.101   6.348
    9    HA   VAL   2           HA       VAL   2 -11.109   1.040   8.016
   10    HB   VAL   2           HB       VAL   2 -12.060  -0.254   5.742
   11   1HG1  VAL   2          HG11      VAL   2 -12.095  -0.672   8.383
   12   2HG1  VAL   2          HG12      VAL   2 -13.076  -1.600   7.249
   13   3HG1  VAL   2          HG13      VAL   2 -13.790  -0.253   8.136
   14   1HG2  VAL   2          HG21      VAL   2 -13.420   1.713   5.186
   15   2HG2  VAL   2          HG22      VAL   2 -14.195   1.615   6.767
   16   3HG2  VAL   2          HG23      VAL   2 -14.418   0.317   5.593
   17    H    CYS   3           HN       CYS   3  -9.560  -0.360   6.958
   18    HA   CYS   3           HA       CYS   3  -7.602   1.041   5.531
   19   1HB   CYS   3          HB2       CYS   3  -7.089  -0.927   6.892
   20   2HB   CYS   3          HB1       CYS   3  -7.996  -1.948   5.782
   21    H    VAL   4           HN       VAL   4  -7.597   1.680   3.494
   22    HA   VAL   4           HA       VAL   4  -9.190   0.172   1.530
   23    HB   VAL   4           HB       VAL   4  -8.189   3.002   1.229
   24   1HG1  VAL   4          HG11      VAL   4  -8.727   1.794  -0.846
   25   2HG1  VAL   4          HG12      VAL   4  -9.829   3.139  -0.553
   26   3HG1  VAL   4          HG13      VAL   4 -10.351   1.486  -0.229
   27   1HG2  VAL   4          HG21      VAL   4  -9.656   3.024   3.114
   28   2HG2  VAL   4          HG22      VAL   4 -10.827   1.998   2.285
   29   3HG2  VAL   4          HG23      VAL   4 -10.555   3.651   1.732
   30    H    TYR   5           HN       TYR   5  -8.111  -1.016   0.116
   31    HA   TYR   5           HA       TYR   5  -5.310  -1.080  -0.057
   32   1HB   TYR   5          HB2       TYR   5  -6.973  -2.919  -0.650
   33   2HB   TYR   5          HB1       TYR   5  -7.156  -2.091  -2.188
   34    HD1  TYR   5           HD1      TYR   5  -5.204  -1.895  -3.726
   35    HD2  TYR   5           HD2      TYR   5  -5.070  -4.273  -0.201
   36    HE1  TYR   5           HE1      TYR   5  -3.234  -3.075  -4.605
   37    HE2  TYR   5           HE2      TYR   5  -3.099  -5.458  -1.069
   38    HH   TYR   5           HH       TYR   5  -2.112  -5.280  -4.281
   39    H    ARG   6           HN       ARG   6  -7.746   0.491  -2.062
   40    HA   ARG   6           HA       ARG   6  -5.988   1.303  -4.117
   41   1HB   ARG   6          HB2       ARG   6  -8.646   1.247  -3.907
   42   2HB   ARG   6          HB1       ARG   6  -8.378   2.937  -3.514
   43   1HG   ARG   6          HG2       ARG   6  -8.579   3.169  -5.747
   44   2HG   ARG   6          HG1       ARG   6  -6.860   2.775  -5.702
   45   1HD   ARG   6          HD2       ARG   6  -7.213   0.947  -6.911
   46   2HD   ARG   6          HD1       ARG   6  -8.375   0.352  -5.725
   47    HE   ARG   6           HE       ARG   6  -9.822   2.140  -7.129
   48   1HH1  ARG   6          HH11      ARG   6  -7.800  -0.536  -8.093
   49   2HH1  ARG   6          HH12      ARG   6  -8.711  -0.870  -9.527
   50   1HH2  ARG   6          HH21      ARG   6 -11.021   1.702  -9.015
   51   2HH2  ARG   6          HH22      ARG   6 -10.539   0.400 -10.051
   52    H    THR   7           HN       THR   7  -7.030   2.824  -1.111
   53    HA   THR   7           HA       THR   7  -5.795   5.338  -1.675
   54    HB   THR   7           HB       THR   7  -6.607   4.194   1.001
   55    HG1  THR   7           HG1      THR   7  -8.277   4.365  -0.703
   56   1HG2  THR   7          HG21      THR   7  -5.807   6.905   0.104
   57   2HG2  THR   7          HG22      THR   7  -5.484   6.071   1.624
   58   3HG2  THR   7          HG23      THR   7  -7.080   6.755   1.315
   59    H    CYS   8           HN       CYS   8  -4.953   2.476   0.200
   60    HA   CYS   8           HA       CYS   8  -2.465   3.508   1.135
   61   1HB   CYS   8          HB2       CYS   8  -3.818   1.565   2.123
   62   2HB   CYS   8          HB1       CYS   8  -3.119   0.580   0.842
   63    H    ASP   9           HN       ASP   9  -3.482   1.631  -1.652
   64    HA   ASP   9           HA       ASP   9  -0.910   0.933  -2.578
   65   1HB   ASP   9          HB2       ASP   9  -2.946  -0.194  -3.364
   66   2HB   ASP   9          HB1       ASP   9  -3.474   1.293  -4.145
   67    H    LYS  10           HN       LYS  10  -3.098   3.609  -3.429
   68    HA   LYS  10           HA       LYS  10  -1.379   4.801  -5.311
   69   1HB   LYS  10          HB2       LYS  10  -3.920   5.352  -4.165
   70   2HB   LYS  10          HB1       LYS  10  -2.950   6.813  -4.073
   71   1HG   LYS  10          HG2       LYS  10  -2.977   7.132  -6.297
   72   2HG   LYS  10          HG1       LYS  10  -2.865   5.407  -6.652
   73   1HD   LYS  10          HD2       LYS  10  -5.329   5.444  -5.648
   74   2HD   LYS  10          HD1       LYS  10  -5.255   7.114  -6.215
   75   1HE   LYS  10          HE2       LYS  10  -4.739   4.648  -7.876
   76   2HE   LYS  10          HE1       LYS  10  -6.197   5.639  -7.919
   77   1HZ   LYS  10          HZ1       LYS  10  -3.578   6.143  -9.070
   78   2HZ   LYS  10          HZ2       LYS  10  -4.340   7.483  -8.374
   79   3HZ   LYS  10          HZ3       LYS  10  -5.110   6.620  -9.609
   80    H    ASP  11           HN       ASP  11  -1.866   5.428  -1.849
   81    HA   ASP  11           HA       ASP  11  -0.074   7.572  -1.620
   82   1HB   ASP  11          HB2       ASP  11  -1.765   6.209   0.065
   83   2HB   ASP  11          HB1       ASP  11  -0.184   5.776   0.686
   84    H    CYS  12           HN       CYS  12   0.342   4.101  -1.476
   85    HA   CYS  12           HA       CYS  12   3.051   4.102  -0.642
   86   1HB   CYS  12          HB2       CYS  12   1.332   2.188  -0.580
   87   2HB   CYS  12          HB1       CYS  12   1.766   1.920  -2.263
   88    H    LYS  13           HN       LYS  13   1.584   3.524  -3.857
   89    HA   LYS  13           HA       LYS  13   3.996   3.330  -5.257
   90   1HB   LYS  13          HB2       LYS  13   2.654   3.845  -7.277
   91   2HB   LYS  13          HB1       LYS  13   1.923   2.607  -6.264
   92   1HG   LYS  13          HG2       LYS  13   0.124   3.928  -6.842
   93   2HG   LYS  13          HG1       LYS  13   0.571   4.554  -5.255
   94   1HD   LYS  13          HD2       LYS  13   0.890   6.581  -6.114
   95   2HD   LYS  13          HD1       LYS  13   2.074   5.937  -7.252
   96   1HE   LYS  13          HE2       LYS  13   0.190   5.284  -8.742
   97   2HE   LYS  13          HE1       LYS  13  -0.913   6.099  -7.633
   98   1HZ   LYS  13          HZ1       LYS  13   0.937   7.221  -9.565
   99   2HZ   LYS  13          HZ2       LYS  13   0.872   8.025  -8.079
  100   3HZ   LYS  13          HZ3       LYS  13  -0.536   7.829  -8.994
  101    H    ARG  14           HN       ARG  14   2.201   6.107  -4.157
  102    HA   ARG  14           HA       ARG  14   3.816   7.940  -5.728
  103   1HB   ARG  14          HB2       ARG  14   1.249   8.089  -4.867
  104   2HB   ARG  14          HB1       ARG  14   2.059   9.013  -3.610
  105   1HG   ARG  14          HG2       ARG  14   2.771  10.648  -5.088
  106   2HG   ARG  14          HG1       ARG  14   2.590   9.595  -6.493
  107   1HD   ARG  14          HD2       ARG  14   0.180   9.696  -6.300
  108   2HD   ARG  14          HD1       ARG  14   0.311  10.647  -4.822
  109    HE   ARG  14           HE       ARG  14   1.625  11.887  -7.036
  110   1HH1  ARG  14          HH11      ARG  14  -1.480  11.394  -5.521
  111   2HH1  ARG  14          HH12      ARG  14  -2.169  12.842  -6.176
  112   1HH2  ARG  14          HH21      ARG  14   0.721  13.791  -7.897
  113   2HH2  ARG  14          HH22      ARG  14  -0.919  14.203  -7.525
  114    H    ARG  15           HN       ARG  15   4.070   6.364  -2.759
  115    HA   ARG  15           HA       ARG  15   5.675   8.484  -1.550
  116   1HB   ARG  15          HB2       ARG  15   4.301   6.051  -0.542
  117   2HB   ARG  15          HB1       ARG  15   5.768   6.543   0.292
  118   1HG   ARG  15          HG2       ARG  15   3.376   8.311  -0.172
  119   2HG   ARG  15          HG1       ARG  15   3.723   7.441   1.324
  120   1HD   ARG  15          HD2       ARG  15   6.056   8.704   1.024
  121   2HD   ARG  15          HD1       ARG  15   5.017   9.845   0.171
  122    HE   ARG  15           HE       ARG  15   4.086  10.451   2.176
  123   1HH1  ARG  15          HH11      ARG  15   5.894   7.497   2.608
  124   2HH1  ARG  15          HH12      ARG  15   5.749   7.514   4.333
  125   1HH2  ARG  15          HH21      ARG  15   3.895  10.475   4.445
  126   2HH2  ARG  15          HH22      ARG  15   4.615   9.204   5.377
  127    H    GLY  16           HN       GLY  16   6.486   6.809  -3.908
  128   1HA   GLY  16          HA2       GLY  16   8.482   6.001  -4.697
  129   2HA   GLY  16          HA1       GLY  16   9.192   6.431  -3.151
  130    H    TYR  17           HN       TYR  17   6.566   4.158  -3.890
  131    HA   TYR  17           HA       TYR  17   8.292   1.973  -2.929
  132   1HB   TYR  17          HB2       TYR  17   5.443   2.557  -2.124
  133   2HB   TYR  17          HB1       TYR  17   6.214   0.998  -1.855
  134    HD1  TYR  17           HD1      TYR  17   7.906   0.726  -0.150
  135    HD2  TYR  17           HD2      TYR  17   6.153   4.534  -0.874
  136    HE1  TYR  17           HE1      TYR  17   8.845   1.554   1.966
  137    HE2  TYR  17           HE2      TYR  17   7.088   5.373   1.239
  138    HH   TYR  17           HH       TYR  17   7.876   4.473   3.391
  139    H    ARG  18           HN       ARG  18   6.981  -0.214  -3.342
  140    HA   ARG  18           HA       ARG  18   6.329  -0.154  -6.198
  141   1HB   ARG  18          HB2       ARG  18   8.159  -1.634  -5.536
  142   2HB   ARG  18          HB1       ARG  18   7.095  -2.471  -4.415
  143   1HG   ARG  18          HG2       ARG  18   7.054  -3.901  -6.192
  144   2HG   ARG  18          HG1       ARG  18   5.660  -2.885  -6.564
  145   1HD   ARG  18          HD2       ARG  18   7.499  -1.456  -7.819
  146   2HD   ARG  18          HD1       ARG  18   8.330  -3.010  -7.866
  147    HE   ARG  18           HE       ARG  18   6.799  -3.748  -9.404
  148   1HH1  ARG  18          HH11      ARG  18   5.608  -0.818  -7.930
  149   2HH1  ARG  18          HH12      ARG  18   4.279  -0.658  -9.028
  150   1HH2  ARG  18          HH21      ARG  18   5.051  -3.538 -10.850
  151   2HH2  ARG  18          HH22      ARG  18   3.962  -2.201 -10.684
  152    H    SER  19           HN       SER  19   5.244  -1.921  -3.278
  153    HA   SER  19           HA       SER  19   2.481  -1.451  -4.011
  154   1HB   SER  19          HB2       SER  19   3.664  -4.234  -4.017
  155   2HB   SER  19          HB1       SER  19   1.932  -3.912  -3.943
  156    HG   SER  19           HG       SER  19   3.684  -3.705  -6.063
  157    H    GLY  20           HN       GLY  20   1.106  -3.027  -2.397
  158   1HA   GLY  20          HA2       GLY  20   2.292  -3.391   0.183
  159   2HA   GLY  20          HA1       GLY  20   1.303  -1.941   0.116
  160    H    LYS  21           HN       LYS  21   0.674  -3.925   1.862
  161    HA   LYS  21           HA       LYS  21  -1.960  -4.684   0.925
  162   1HB   LYS  21          HB2       LYS  21   0.206  -6.574   1.010
  163   2HB   LYS  21          HB1       LYS  21  -1.013  -7.024   2.194
  164   1HG   LYS  21          HG2       LYS  21  -2.723  -6.882   0.391
  165   2HG   LYS  21          HG1       LYS  21  -1.412  -6.618  -0.760
  166   1HD   LYS  21          HD2       LYS  21  -1.657  -8.889  -0.939
  167   2HD   LYS  21          HD1       LYS  21  -0.452  -8.808   0.348
  168   1HE   LYS  21          HE2       LYS  21  -2.000  -9.323   2.001
  169   2HE   LYS  21          HE1       LYS  21  -3.371  -8.840   1.004
  170   1HZ   LYS  21          HZ1       LYS  21  -1.747 -11.082   0.071
  171   2HZ   LYS  21          HZ2       LYS  21  -3.414 -10.825  -0.064
  172   3HZ   LYS  21          HZ3       LYS  21  -2.757 -11.356   1.401
  173    H    CYS  22           HN       CYS  22  -3.422  -5.134   2.608
  174    HA   CYS  22           HA       CYS  22  -2.580  -4.065   5.185
  175   1HB   CYS  22          HB2       CYS  22  -4.856  -3.694   3.704
  176   2HB   CYS  22          HB1       CYS  22  -5.387  -4.889   4.882
  177    H    ILE  23           HN       ILE  23  -1.500  -5.668   6.243
  178    HA   ILE  23           HA       ILE  23  -3.052  -8.085   6.866
  179    HB   ILE  23           HB       ILE  23  -0.047  -7.997   6.602
  180   1HG1  ILE  23          HG12      ILE  23  -1.671  -9.570   4.689
  181   2HG1  ILE  23          HG11      ILE  23  -1.731  -7.822   4.490
  182   1HG2  ILE  23          HG21      ILE  23  -2.032 -10.172   7.172
  183   2HG2  ILE  23          HG22      ILE  23  -0.594  -9.717   8.087
  184   3HG2  ILE  23          HG23      ILE  23  -0.429 -10.526   6.528
  185   1HD1  ILE  23          HD11      ILE  23  -0.018  -8.640   3.080
  186   2HD1  ILE  23          HD12      ILE  23   0.685  -9.601   4.381
  187   3HD1  ILE  23          HD13      ILE  23   0.771  -7.840   4.439
  188    H    ASN  24           HN       ASN  24  -2.944  -8.849   8.970
  189    HA   ASN  24           HA       ASN  24  -2.844  -8.656  11.238
  190   1HB   ASN  24          HB2       ASN  24  -0.109  -7.789  10.374
  191   2HB   ASN  24          HB1       ASN  24  -0.563  -7.757  12.074
  192   1HD2  ASN  24          HD21      ASN  24   1.271  -9.444  10.288
  193   2HD2  ASN  24          HD22      ASN  24   0.907 -11.064  10.764
  194    H    ASN  25           HN       ASN  25  -4.115  -6.527   9.888
  195    HA   ASN  25           HA       ASN  25  -5.025  -4.488  10.318
  196   1HB   ASN  25          HB2       ASN  25  -4.104  -5.452  12.900
  197   2HB   ASN  25          HB1       ASN  25  -4.064  -3.694  12.814
  198   1HD2  ASN  25          HD21      ASN  25  -5.892  -6.145  13.791
  199   2HD2  ASN  25          HD22      ASN  25  -7.471  -5.480  13.570
  200    H    ALA  26           HN       ALA  26  -2.360  -4.767   9.099
  201    HA   ALA  26           HA       ALA  26  -1.553  -1.979   9.369
  202   1HB   ALA  26          HB1       ALA  26   0.378  -4.269   9.723
  203   2HB   ALA  26          HB2       ALA  26  -0.105  -3.100  10.951
  204   3HB   ALA  26          HB3       ALA  26   0.832  -2.574   9.553
  205    H    CYS  27           HN       CYS  27  -0.978  -1.088   7.464
  206    HA   CYS  27           HA       CYS  27  -1.196  -2.716   5.089
  207   1HB   CYS  27          HB2       CYS  27  -2.036  -0.251   5.544
  208   2HB   CYS  27          HB1       CYS  27  -0.417   0.166   4.995
  209    H    LYS  28           HN       LYS  28   0.640  -4.030   5.166
  210    HA   LYS  28           HA       LYS  28   3.278  -2.947   5.402
  211   1HB   LYS  28          HB2       LYS  28   2.339  -5.392   5.823
  212   2HB   LYS  28          HB1       LYS  28   2.795  -5.607   4.139
  213   1HG   LYS  28          HG2       LYS  28   4.698  -6.293   5.212
  214   2HG   LYS  28          HG1       LYS  28   5.067  -4.592   4.919
  215   1HD   LYS  28          HD2       LYS  28   4.930  -4.044   7.119
  216   2HD   LYS  28          HD1       LYS  28   3.672  -5.236   7.448
  217   1HE   LYS  28          HE2       LYS  28   5.318  -6.359   8.483
  218   2HE   LYS  28          HE1       LYS  28   5.777  -6.843   6.851
  219   1HZ   LYS  28          HZ1       LYS  28   7.748  -5.999   7.484
  220   2HZ   LYS  28          HZ2       LYS  28   7.082  -4.997   8.673
  221   3HZ   LYS  28          HZ3       LYS  28   7.050  -4.519   7.051
  222    H    CYS  29           HN       CYS  29   4.370  -1.906   3.876
  223    HA   CYS  29           HA       CYS  29   3.588  -2.320   1.077
  224   1HB   CYS  29          HB2       CYS  29   4.251   0.035   2.635
  225   2HB   CYS  29          HB1       CYS  29   5.118  -0.033   1.108
  226    H    TYR  30           HN       TYR  30   5.058  -2.916  -0.439
  227    HA   TYR  30           HA       TYR  30   7.775  -3.476   0.520
  228   1HB   TYR  30          HB2       TYR  30   7.207  -4.777  -1.965
  229   2HB   TYR  30          HB1       TYR  30   7.560  -5.501  -0.404
  230    HD1  TYR  30           HD1      TYR  30   5.564  -5.738   1.235
  231    HD2  TYR  30           HD2      TYR  30   5.123  -5.061  -2.941
  232    HE1  TYR  30           HE1      TYR  30   3.264  -6.604   1.343
  233    HE2  TYR  30           HE2      TYR  30   2.823  -5.923  -2.845
  234    HH   TYR  30           HH       TYR  30   1.053  -6.276  -1.261
  235    HA   PRO  31           HA       PRO  31   9.113  -0.446  -2.461
  236   1HB   PRO  31          HB2       PRO  31  11.754  -0.686  -2.133
  237   2HB   PRO  31          HB1       PRO  31  10.731  -0.024  -0.852
  238   1HG   PRO  31          HG2       PRO  31  11.898  -2.763  -1.121
  239   2HG   PRO  31          HG1       PRO  31  11.746  -1.747   0.323
  240   1HD   PRO  31          HD2       PRO  31  10.026  -3.807  -0.344
  241   2HD   PRO  31          HD1       PRO  31   9.617  -2.457   0.732
  242    H    TYR  32           HN       TYR  32  10.100  -0.311  -4.522
  243    HA   TYR  32           HA       TYR  32  10.048  -2.746  -6.019
  244   1HB   TYR  32          HB2       TYR  32  10.558  -1.285  -7.934
  245   2HB   TYR  32          HB1       TYR  32   9.211  -0.674  -6.989
  246    HD1  TYR  32           HD1      TYR  32   9.402   1.393  -5.746
  247    HD2  TYR  32           HD2      TYR  32  12.710  -0.131  -7.946
  248    HE1  TYR  32           HE1      TYR  32  10.537   3.563  -5.533
  249    HE2  TYR  32           HE2      TYR  32  13.854   2.035  -7.738
  250    HH   TYR  32           HH       TYR  32  12.516   4.771  -7.121
  Start of MODEL   15
    1   1H    ALA   1           HT1      ALA   1 -12.025   5.013  10.805
    2   2H    ALA   1           HT2      ALA   1 -12.847   6.296  10.015
    3   3H    ALA   1           HT3      ALA   1 -11.144   6.362  10.221
    4    HA   ALA   1           HA       ALA   1 -12.750   4.731   8.413
    5   1HB   ALA   1          HB1       ALA   1 -10.133   5.985   7.765
    6   2HB   ALA   1          HB2       ALA   1 -11.541   7.028   7.964
    7   3HB   ALA   1          HB3       ALA   1 -11.556   5.748   6.751
    8    H    VAL   2           HN       VAL   2 -11.914   2.862   7.509
    9    HA   VAL   2           HA       VAL   2  -9.784   1.588   9.080
   10    HB   VAL   2           HB       VAL   2 -11.267  -0.085   7.163
   11   1HG1  VAL   2          HG11      VAL   2  -9.644  -0.483   9.340
   12   2HG1  VAL   2          HG12      VAL   2 -10.664  -1.703   8.578
   13   3HG1  VAL   2          HG13      VAL   2 -11.251  -0.817   9.984
   14   1HG2  VAL   2          HG21      VAL   2 -13.200   1.082   7.740
   15   2HG2  VAL   2          HG22      VAL   2 -12.664   1.342   9.400
   16   3HG2  VAL   2          HG23      VAL   2 -13.182  -0.262   8.881
   17    H    CYS   3           HN       CYS   3  -8.432  -0.006   7.842
   18    HA   CYS   3           HA       CYS   3  -7.061   1.366   5.765
   19   1HB   CYS   3          HB2       CYS   3  -5.880  -0.095   7.328
   20   2HB   CYS   3          HB1       CYS   3  -6.786  -1.485   6.740
   21    H    VAL   4           HN       VAL   4  -7.472   1.384   3.661
   22    HA   VAL   4           HA       VAL   4  -9.188  -0.737   2.550
   23    HB   VAL   4           HB       VAL   4  -8.761   2.004   1.365
   24   1HG1  VAL   4          HG11      VAL   4 -10.762  -0.189   0.850
   25   2HG1  VAL   4          HG12      VAL   4  -9.522   0.411  -0.249
   26   3HG1  VAL   4          HG13      VAL   4 -10.887   1.440   0.185
   27   1HG2  VAL   4          HG21      VAL   4  -9.774   2.205   3.594
   28   2HG2  VAL   4          HG22      VAL   4 -11.042   1.079   3.109
   29   3HG2  VAL   4          HG23      VAL   4 -10.904   2.647   2.314
   30    H    TYR   5           HN       TYR   5  -8.712  -1.558   0.464
   31    HA   TYR   5           HA       TYR   5  -5.971  -2.012  -0.020
   32   1HB   TYR   5          HB2       TYR   5  -8.070  -3.421  -0.668
   33   2HB   TYR   5          HB1       TYR   5  -8.036  -2.442  -2.127
   34    HD1  TYR   5           HD1      TYR   5  -5.562  -4.311  -0.035
   35    HD2  TYR   5           HD2      TYR   5  -7.000  -3.412  -3.936
   36    HE1  TYR   5           HE1      TYR   5  -3.867  -5.809  -0.998
   37    HE2  TYR   5           HE2      TYR   5  -5.310  -4.908  -4.911
   38    HH   TYR   5           HH       TYR   5  -3.604  -7.152  -3.146
   39    H    ARG   6           HN       ARG   6  -8.371  -0.070  -1.778
   40    HA   ARG   6           HA       ARG   6  -6.599   0.872  -3.751
   41   1HB   ARG   6          HB2       ARG   6  -9.251   0.948  -3.490
   42   2HB   ARG   6          HB1       ARG   6  -8.879   2.564  -2.917
   43   1HG   ARG   6          HG2       ARG   6  -8.989   3.149  -5.065
   44   2HG   ARG   6          HG1       ARG   6  -7.383   2.428  -5.189
   45   1HD   ARG   6          HD2       ARG   6  -9.323   0.353  -5.392
   46   2HD   ARG   6          HD1       ARG   6  -9.778   1.650  -6.496
   47    HE   ARG   6           HE       ARG   6  -7.513  -0.104  -6.718
   48   1HH1  ARG   6          HH11      ARG   6  -8.817   3.008  -7.609
   49   2HH1  ARG   6          HH12      ARG   6  -7.819   3.163  -9.016
   50   1HH2  ARG   6          HH21      ARG   6  -6.199   0.098  -8.567
   51   2HH2  ARG   6          HH22      ARG   6  -6.333   1.511  -9.560
   52    H    THR   7           HN       THR   7  -7.480   2.090  -0.570
   53    HA   THR   7           HA       THR   7  -6.120   4.586  -0.872
   54    HB   THR   7           HB       THR   7  -7.013   3.153   1.634
   55    HG1  THR   7           HG1      THR   7  -8.288   5.094   0.014
   56   1HG2  THR   7          HG21      THR   7  -7.051   5.383   2.655
   57   2HG2  THR   7          HG22      THR   7  -6.287   6.039   1.207
   58   3HG2  THR   7          HG23      THR   7  -5.425   4.869   2.206
   59    H    CYS   8           HN       CYS   8  -5.386   1.464   0.566
   60    HA   CYS   8           HA       CYS   8  -2.858   2.212   1.637
   61   1HB   CYS   8          HB2       CYS   8  -4.028   0.266   2.499
   62   2HB   CYS   8          HB1       CYS   8  -3.988  -0.502   0.916
   63    H    ASP   9           HN       ASP   9  -3.926   0.809  -1.408
   64    HA   ASP   9           HA       ASP   9  -1.366   0.251  -2.454
   65   1HB   ASP   9          HB2       ASP   9  -3.600  -0.647  -3.277
   66   2HB   ASP   9          HB1       ASP   9  -3.821   0.904  -4.083
   67    H    LYS  10           HN       LYS  10  -3.581   3.000  -2.956
   68    HA   LYS  10           HA       LYS  10  -1.892   4.432  -4.681
   69   1HB   LYS  10          HB2       LYS  10  -4.409   4.833  -3.426
   70   2HB   LYS  10          HB1       LYS  10  -3.434   6.271  -3.167
   71   1HG   LYS  10          HG2       LYS  10  -3.212   6.673  -5.461
   72   2HG   LYS  10          HG1       LYS  10  -3.739   5.042  -5.883
   73   1HD   LYS  10          HD2       LYS  10  -5.939   5.552  -5.662
   74   2HD   LYS  10          HD1       LYS  10  -5.652   6.691  -4.345
   75   1HE   LYS  10          HE2       LYS  10  -6.111   8.251  -5.894
   76   2HE   LYS  10          HE1       LYS  10  -4.451   7.969  -6.417
   77   1HZ   LYS  10          HZ1       LYS  10  -5.122   6.913  -8.272
   78   2HZ   LYS  10          HZ2       LYS  10  -6.542   7.801  -8.041
   79   3HZ   LYS  10          HZ3       LYS  10  -6.461   6.190  -7.532
   80    H    ASP  11           HN       ASP  11  -2.353   4.718  -1.162
   81    HA   ASP  11           HA       ASP  11  -0.536   6.790  -0.725
   82   1HB   ASP  11          HB2       ASP  11  -2.195   5.310   0.848
   83   2HB   ASP  11          HB1       ASP  11  -0.625   4.707   1.345
   84    H    CYS  12           HN       CYS  12  -0.097   3.296  -0.802
   85    HA   CYS  12           HA       CYS  12   2.630   3.262  -0.099
   86   1HB   CYS  12          HB2       CYS  12   1.017   1.302  -0.124
   87   2HB   CYS  12          HB1       CYS  12   1.261   1.237  -1.867
   88    H    LYS  13           HN       LYS  13   1.087   3.069  -3.326
   89    HA   LYS  13           HA       LYS  13   3.511   3.027  -4.755
   90   1HB   LYS  13          HB2       LYS  13   2.150   3.646  -6.720
   91   2HB   LYS  13          HB1       LYS  13   1.448   2.321  -5.803
   92   1HG   LYS  13          HG2       LYS  13  -0.377   3.645  -6.298
   93   2HG   LYS  13          HG1       LYS  13   0.042   4.145  -4.661
   94   1HD   LYS  13          HD2       LYS  13   0.311   6.243  -5.344
   95   2HD   LYS  13          HD1       LYS  13   1.526   5.729  -6.514
   96   1HE   LYS  13          HE2       LYS  13  -0.148   5.336  -8.178
   97   2HE   LYS  13          HE1       LYS  13  -1.443   5.591  -7.009
   98   1HZ   LYS  13          HZ1       LYS  13  -1.240   7.556  -8.289
   99   2HZ   LYS  13          HZ2       LYS  13   0.438   7.617  -8.083
  100   3HZ   LYS  13          HZ3       LYS  13  -0.586   7.908  -6.769
  101    H    ARG  14           HN       ARG  14   1.752   5.621  -3.284
  102    HA   ARG  14           HA       ARG  14   3.275   7.622  -4.761
  103   1HB   ARG  14          HB2       ARG  14   0.827   7.648  -3.090
  104   2HB   ARG  14          HB1       ARG  14   1.822   9.097  -3.044
  105   1HG   ARG  14          HG2       ARG  14   1.175   7.974  -5.708
  106   2HG   ARG  14          HG1       ARG  14  -0.125   8.760  -4.810
  107   1HD   ARG  14          HD2       ARG  14   0.650  10.682  -5.634
  108   2HD   ARG  14          HD1       ARG  14   2.003  10.494  -4.519
  109    HE   ARG  14           HE       ARG  14   2.798   9.075  -6.671
  110   1HH1  ARG  14          HH11      ARG  14   1.568  12.320  -6.298
  111   2HH1  ARG  14          HH12      ARG  14   2.447  12.943  -7.653
  112   1HH2  ARG  14          HH21      ARG  14   3.956   9.894  -8.453
  113   2HH2  ARG  14          HH22      ARG  14   3.802  11.566  -8.877
  114    H    ARG  15           HN       ARG  15   4.071   5.711  -2.321
  115    HA   ARG  15           HA       ARG  15   5.378   7.836  -0.771
  116   1HB   ARG  15          HB2       ARG  15   3.782   5.910   0.227
  117   2HB   ARG  15          HB1       ARG  15   5.327   5.079   0.306
  118   1HG   ARG  15          HG2       ARG  15   5.688   6.106   2.233
  119   2HG   ARG  15          HG1       ARG  15   5.836   7.614   1.331
  120   1HD   ARG  15          HD2       ARG  15   3.085   7.156   1.599
  121   2HD   ARG  15          HD1       ARG  15   3.786   6.770   3.170
  122    HE   ARG  15           HE       ARG  15   3.575   9.364   1.952
  123   1HH1  ARG  15          HH11      ARG  15   5.330   7.429   4.267
  124   2HH1  ARG  15          HH12      ARG  15   5.867   8.793   5.188
  125   1HH2  ARG  15          HH21      ARG  15   4.282  11.160   3.161
  126   2HH2  ARG  15          HH22      ARG  15   5.272  10.912   4.561
  127    H    GLY  16           HN       GLY  16   6.286   6.682  -3.327
  128   1HA   GLY  16          HA2       GLY  16   8.308   6.146  -4.266
  129   2HA   GLY  16          HA1       GLY  16   9.023   6.394  -2.682
  130    H    TYR  17           HN       TYR  17   6.694   4.029  -3.990
  131    HA   TYR  17           HA       TYR  17   8.579   1.892  -3.280
  132   1HB   TYR  17          HB2       TYR  17   5.671   2.047  -2.479
  133   2HB   TYR  17          HB1       TYR  17   6.605   0.555  -2.436
  134    HD1  TYR  17           HD1      TYR  17   8.219   0.154  -0.704
  135    HD2  TYR  17           HD2      TYR  17   6.212   3.894  -0.948
  136    HE1  TYR  17           HE1      TYR  17   9.027   0.727   1.547
  137    HE2  TYR  17           HE2      TYR  17   7.014   4.481   1.302
  138    HH   TYR  17           HH       TYR  17   9.469   2.827   2.866
  139    H    ARG  18           HN       ARG  18   7.580  -0.301  -4.118
  140    HA   ARG  18           HA       ARG  18   6.681   0.209  -6.874
  141   1HB   ARG  18          HB2       ARG  18   7.792  -1.857  -7.518
  142   2HB   ARG  18          HB1       ARG  18   8.926  -0.776  -6.723
  143   1HG   ARG  18          HG2       ARG  18   8.938  -2.069  -4.757
  144   2HG   ARG  18          HG1       ARG  18   7.520  -2.989  -5.262
  145   1HD   ARG  18          HD2       ARG  18  10.272  -3.073  -6.489
  146   2HD   ARG  18          HD1       ARG  18   9.500  -4.342  -5.543
  147    HE   ARG  18           HE       ARG  18   8.991  -3.667  -8.316
  148   1HH1  ARG  18          HH11      ARG  18   7.910  -5.411  -5.489
  149   2HH1  ARG  18          HH12      ARG  18   6.932  -6.516  -6.395
  150   1HH2  ARG  18          HH21      ARG  18   7.703  -5.119  -9.502
  151   2HH2  ARG  18          HH22      ARG  18   6.814  -6.351  -8.670
  152    H    SER  19           HN       SER  19   6.030  -1.538  -3.932
  153    HA   SER  19           HA       SER  19   3.463  -2.350  -5.036
  154   1HB   SER  19          HB2       SER  19   4.775  -4.517  -3.517
  155   2HB   SER  19          HB1       SER  19   3.735  -4.601  -4.938
  156    HG   SER  19           HG       SER  19   5.442  -4.640  -6.158
  157    H    GLY  20           HN       GLY  20   2.001  -3.221  -3.341
  158   1HA   GLY  20          HA2       GLY  20   2.698  -2.682  -0.585
  159   2HA   GLY  20          HA1       GLY  20   1.550  -1.545  -1.275
  160    H    LYS  21           HN       LYS  21   0.967  -3.196   0.915
  161    HA   LYS  21           HA       LYS  21  -1.436  -4.422  -0.029
  162   1HB   LYS  21          HB2       LYS  21   0.813  -6.066  -0.039
  163   2HB   LYS  21          HB1       LYS  21  -0.023  -6.490   1.448
  164   1HG   LYS  21          HG2       LYS  21  -1.557  -6.308  -1.104
  165   2HG   LYS  21          HG1       LYS  21  -0.572  -7.733  -0.768
  166   1HD   LYS  21          HD2       LYS  21  -1.843  -7.556   1.569
  167   2HD   LYS  21          HD1       LYS  21  -3.053  -6.778   0.546
  168   1HE   LYS  21          HE2       LYS  21  -1.855  -9.335  -0.385
  169   2HE   LYS  21          HE1       LYS  21  -3.025  -9.397   0.934
  170   1HZ   LYS  21          HZ1       LYS  21  -4.352  -7.855  -0.722
  171   2HZ   LYS  21          HZ2       LYS  21  -4.428  -9.542  -0.824
  172   3HZ   LYS  21          HZ3       LYS  21  -3.418  -8.676  -1.870
  173    H    CYS  22           HN       CYS  22  -2.950  -4.342   1.515
  174    HA   CYS  22           HA       CYS  22  -2.150  -3.426   4.158
  175   1HB   CYS  22          HB2       CYS  22  -3.957  -2.228   3.051
  176   2HB   CYS  22          HB1       CYS  22  -4.879  -3.718   2.885
  177    H    ILE  23           HN       ILE  23  -1.726  -4.874   5.675
  178    HA   ILE  23           HA       ILE  23  -3.446  -7.244   5.881
  179    HB   ILE  23           HB       ILE  23  -0.478  -7.269   6.425
  180   1HG1  ILE  23          HG12      ILE  23  -0.968  -6.972   4.013
  181   2HG1  ILE  23          HG11      ILE  23  -0.227  -8.531   4.360
  182   1HG2  ILE  23          HG21      ILE  23  -1.200  -9.011   7.677
  183   2HG2  ILE  23          HG22      ILE  23  -1.159  -9.838   6.121
  184   3HG2  ILE  23          HG23      ILE  23  -2.684  -9.210   6.745
  185   1HD1  ILE  23          HD11      ILE  23  -1.863  -9.345   3.081
  186   2HD1  ILE  23          HD12      ILE  23  -2.856  -7.897   3.259
  187   3HD1  ILE  23          HD13      ILE  23  -2.872  -9.137   4.513
  188    H    ASN  24           HN       ASN  24  -4.106  -7.780   7.911
  189    HA   ASN  24           HA       ASN  24  -4.685  -7.381  10.086
  190   1HB   ASN  24          HB2       ASN  24  -1.701  -6.989  10.308
  191   2HB   ASN  24          HB1       ASN  24  -2.792  -7.300  11.652
  192   1HD2  ASN  24          HD21      ASN  24  -1.893  -9.213  12.275
  193   2HD2  ASN  24          HD22      ASN  24  -1.952 -10.650  11.318
  194    H    ASN  25           HN       ASN  25  -5.440  -5.276   8.867
  195    HA   ASN  25           HA       ASN  25  -5.769  -3.017   8.853
  196   1HB   ASN  25          HB2       ASN  25  -6.132  -2.043  11.037
  197   2HB   ASN  25          HB1       ASN  25  -6.714  -3.704  11.047
  198   1HD2  ASN  25          HD21      ASN  25  -5.997  -5.028  12.573
  199   2HD2  ASN  25          HD22      ASN  25  -4.694  -4.695  13.657
  200    H    ALA  26           HN       ALA  26  -3.028  -3.880   8.337
  201    HA   ALA  26           HA       ALA  26  -1.683  -1.360   9.026
  202   1HB   ALA  26          HB1       ALA  26   0.022  -3.772   8.868
  203   2HB   ALA  26          HB2       ALA  26  -0.990  -3.603  10.303
  204   3HB   ALA  26          HB3       ALA  26   0.169  -2.341   9.887
  205    H    CYS  27           HN       CYS  27  -1.474  -0.348   7.137
  206    HA   CYS  27           HA       CYS  27  -1.374  -1.655   4.625
  207   1HB   CYS  27          HB2       CYS  27  -2.225   0.643   4.921
  208   2HB   CYS  27          HB1       CYS  27  -0.601   1.184   5.331
  209    H    LYS  28           HN       LYS  28   0.288  -2.954   4.139
  210    HA   LYS  28           HA       LYS  28   2.994  -2.254   4.940
  211   1HB   LYS  28          HB2       LYS  28   1.742  -4.645   4.788
  212   2HB   LYS  28          HB1       LYS  28   2.532  -4.616   3.217
  213   1HG   LYS  28          HG2       LYS  28   4.648  -4.639   4.131
  214   2HG   LYS  28          HG1       LYS  28   4.100  -3.987   5.677
  215   1HD   LYS  28          HD2       LYS  28   2.844  -6.161   5.997
  216   2HD   LYS  28          HD1       LYS  28   3.738  -6.776   4.605
  217   1HE   LYS  28          HE2       LYS  28   5.841  -6.373   5.747
  218   2HE   LYS  28          HE1       LYS  28   4.985  -5.670   7.119
  219   1HZ   LYS  28          HZ1       LYS  28   5.633  -7.968   7.530
  220   2HZ   LYS  28          HZ2       LYS  28   4.731  -8.482   6.196
  221   3HZ   LYS  28          HZ3       LYS  28   3.949  -7.803   7.533
  222    H    CYS  29           HN       CYS  29   4.768  -2.368   3.354
  223    HA   CYS  29           HA       CYS  29   3.968  -1.655   0.633
  224   1HB   CYS  29          HB2       CYS  29   5.465   0.002   2.551
  225   2HB   CYS  29          HB1       CYS  29   6.013   0.033   0.885
  226    H    TYR  30           HN       TYR  30   5.796  -1.721  -0.920
  227    HA   TYR  30           HA       TYR  30   8.031  -3.399  -0.059
  228   1HB   TYR  30          HB2       TYR  30   6.390  -4.047  -2.512
  229   2HB   TYR  30          HB1       TYR  30   7.736  -4.973  -1.857
  230    HD1  TYR  30           HD1      TYR  30   7.319  -6.742  -0.406
  231    HD2  TYR  30           HD2      TYR  30   4.315  -3.785  -0.976
  232    HE1  TYR  30           HE1      TYR  30   5.751  -8.086   0.929
  233    HE2  TYR  30           HE2      TYR  30   2.739  -5.119   0.358
  234    HH   TYR  30           HH       TYR  30   3.629  -7.566   2.352
  235    HA   PRO  31           HA       PRO  31   9.809  -0.223  -2.727
  236   1HB   PRO  31          HB2       PRO  31  12.322  -0.396  -1.815
  237   2HB   PRO  31          HB1       PRO  31  11.044   0.367  -0.860
  238   1HG   PRO  31          HG2       PRO  31  12.206  -2.380  -0.618
  239   2HG   PRO  31          HG1       PRO  31  11.779  -1.229   0.661
  240   1HD   PRO  31          HD2       PRO  31  10.192  -3.335  -0.105
  241   2HD   PRO  31          HD1       PRO  31   9.577  -1.851   0.649
  242    H    TYR  32           HN       TYR  32  12.216  -0.327  -3.834
  243    HA   TYR  32           HA       TYR  32  12.022  -2.604  -5.631
  244   1HB   TYR  32          HB2       TYR  32  13.234   0.093  -5.731
  245   2HB   TYR  32          HB1       TYR  32  14.097  -1.165  -6.609
  246    HD1  TYR  32           HD1      TYR  32  11.158   0.957  -6.527
  247    HD2  TYR  32           HD2      TYR  32  12.966  -2.374  -8.460
  248    HE1  TYR  32           HE1      TYR  32   9.586   1.200  -8.402
  249    HE2  TYR  32           HE2      TYR  32  11.400  -2.140 -10.341
  250    HH   TYR  32           HH       TYR  32   9.503   0.592 -10.826
  Start of MODEL   16
    1   1H    ALA   1           HT1      ALA   1 -14.138   4.500   9.614
    2   2H    ALA   1           HT2      ALA   1 -12.654   4.102  10.379
    3   3H    ALA   1           HT3      ALA   1 -13.750   2.861   9.927
    4    HA   ALA   1           HA       ALA   1 -13.468   3.462   7.625
    5   1HB   ALA   1          HB1       ALA   1 -11.443   4.903   7.130
    6   2HB   ALA   1          HB2       ALA   1 -11.521   5.419   8.815
    7   3HB   ALA   1          HB3       ALA   1 -12.874   5.740   7.731
    8    H    VAL   2           HN       VAL   2 -12.957   1.302   7.581
    9    HA   VAL   2           HA       VAL   2 -10.728   0.132   8.818
   10    HB   VAL   2           HB       VAL   2 -11.155  -1.709   7.106
   11   1HG1  VAL   2          HG11      VAL   2 -12.197  -1.283   9.499
   12   2HG1  VAL   2          HG12      VAL   2 -12.713  -2.631   8.485
   13   3HG1  VAL   2          HG13      VAL   2 -13.679  -1.157   8.552
   14   1HG2  VAL   2          HG21      VAL   2 -13.756  -0.370   6.571
   15   2HG2  VAL   2          HG22      VAL   2 -12.915  -1.609   5.638
   16   3HG2  VAL   2          HG23      VAL   2 -12.350   0.062   5.596
   17    H    CYS   3           HN       CYS   3  -8.948  -0.969   7.637
   18    HA   CYS   3           HA       CYS   3  -7.334   0.839   6.275
   19   1HB   CYS   3          HB2       CYS   3  -6.348  -1.035   7.396
   20   2HB   CYS   3          HB1       CYS   3  -7.249  -2.177   6.409
   21    H    VAL   4           HN       VAL   4  -7.482   1.637   4.296
   22    HA   VAL   4           HA       VAL   4  -9.025   0.186   2.273
   23    HB   VAL   4           HB       VAL   4  -7.947   2.990   2.022
   24   1HG1  VAL   4          HG11      VAL   4  -9.562   3.255   0.304
   25   2HG1  VAL   4          HG12      VAL   4 -10.352   1.734   0.719
   26   3HG1  VAL   4          HG13      VAL   4  -8.744   1.723  -0.005
   27   1HG2  VAL   4          HG21      VAL   4 -10.694   2.242   3.009
   28   2HG2  VAL   4          HG22      VAL   4  -9.997   3.857   2.881
   29   3HG2  VAL   4          HG23      VAL   4  -9.367   2.716   4.069
   30    H    TYR   5           HN       TYR   5  -7.841  -1.185   1.111
   31    HA   TYR   5           HA       TYR   5  -5.076  -1.091   0.752
   32   1HB   TYR   5          HB2       TYR   5  -6.682  -3.050   0.397
   33   2HB   TYR   5          HB1       TYR   5  -6.945  -2.374  -1.202
   34    HD1  TYR   5           HD1      TYR   5  -4.977  -4.591   0.696
   35    HD2  TYR   5           HD2      TYR   5  -4.776  -1.915  -2.605
   36    HE1  TYR   5           HE1      TYR   5  -2.978  -5.764  -0.125
   37    HE2  TYR   5           HE2      TYR   5  -2.777  -3.081  -3.436
   38    HH   TYR   5           HH       TYR   5  -1.805  -5.480  -3.179
   39    H    ARG   6           HN       ARG   6  -7.688   0.169  -1.257
   40    HA   ARG   6           HA       ARG   6  -6.084   0.877  -3.464
   41   1HB   ARG   6          HB2       ARG   6  -8.717   0.739  -3.107
   42   2HB   ARG   6          HB1       ARG   6  -8.507   2.463  -2.851
   43   1HG   ARG   6          HG2       ARG   6  -8.958   2.349  -5.106
   44   2HG   ARG   6          HG1       ARG   6  -7.194   2.398  -5.076
   45   1HD   ARG   6          HD2       ARG   6  -7.256   0.564  -6.343
   46   2HD   ARG   6          HD1       ARG   6  -7.765  -0.295  -4.890
   47    HE   ARG   6           HE       ARG   6  -9.873  -0.473  -5.770
   48   1HH1  ARG   6          HH11      ARG   6  -8.073   1.890  -7.601
   49   2HH1  ARG   6          HH12      ARG   6  -9.280   2.039  -8.833
   50   1HH2  ARG   6          HH21      ARG   6 -11.462  -0.279  -7.390
   51   2HH2  ARG   6          HH22      ARG   6 -11.205   0.808  -8.713
   52    H    THR   7           HN       THR   7  -7.099   2.678  -0.590
   53    HA   THR   7           HA       THR   7  -5.917   5.135  -1.448
   54    HB   THR   7           HB       THR   7  -6.631   4.318   1.370
   55    HG1  THR   7           HG1      THR   7  -8.662   5.161   0.934
   56   1HG2  THR   7          HG21      THR   7  -5.536   6.336   1.584
   57   2HG2  THR   7          HG22      THR   7  -7.226   6.822   1.440
   58   3HG2  THR   7          HG23      THR   7  -6.149   6.949   0.048
   59    H    CYS   8           HN       CYS   8  -4.975   2.478   0.648
   60    HA   CYS   8           HA       CYS   8  -2.528   3.642   1.521
   61   1HB   CYS   8          HB2       CYS   8  -3.815   1.704   2.598
   62   2HB   CYS   8          HB1       CYS   8  -3.086   0.682   1.364
   63    H    ASP   9           HN       ASP   9  -3.448   1.533  -1.134
   64    HA   ASP   9           HA       ASP   9  -0.846   0.924  -2.034
   65   1HB   ASP   9          HB2       ASP   9  -2.885  -0.343  -2.687
   66   2HB   ASP   9          HB1       ASP   9  -3.400   1.036  -3.653
   67    H    LYS  10           HN       LYS  10  -3.223   3.329  -3.155
   68    HA   LYS  10           HA       LYS  10  -1.609   4.492  -5.127
   69   1HB   LYS  10          HB2       LYS  10  -4.164   4.957  -3.984
   70   2HB   LYS  10          HB1       LYS  10  -3.300   6.485  -4.011
   71   1HG   LYS  10          HG2       LYS  10  -3.332   6.622  -6.262
   72   2HG   LYS  10          HG1       LYS  10  -3.178   4.877  -6.479
   73   1HD   LYS  10          HD2       LYS  10  -5.336   5.197  -7.189
   74   2HD   LYS  10          HD1       LYS  10  -5.609   4.866  -5.477
   75   1HE   LYS  10          HE2       LYS  10  -5.111   7.686  -6.102
   76   2HE   LYS  10          HE1       LYS  10  -6.573   7.028  -6.836
   77   1HZ   LYS  10          HZ1       LYS  10  -7.381   7.673  -4.825
   78   2HZ   LYS  10          HZ2       LYS  10  -5.923   7.411  -4.008
   79   3HZ   LYS  10          HZ3       LYS  10  -6.908   6.100  -4.420
   80    H    ASP  11           HN       ASP  11  -2.216   5.568  -1.784
   81    HA   ASP  11           HA       ASP  11  -0.562   7.788  -1.755
   82   1HB   ASP  11          HB2       ASP  11  -2.143   6.568   0.072
   83   2HB   ASP  11          HB1       ASP  11  -0.557   6.154   0.696
   84    H    CYS  12           HN       CYS  12   0.210   4.428  -0.934
   85    HA   CYS  12           HA       CYS  12   2.952   4.934  -0.395
   86   1HB   CYS  12          HB2       CYS  12   1.507   2.930   0.332
   87   2HB   CYS  12          HB1       CYS  12   1.853   2.274  -1.264
   88    H    LYS  13           HN       LYS  13   1.142   4.085  -3.278
   89    HA   LYS  13           HA       LYS  13   3.234   3.279  -4.941
   90   1HB   LYS  13          HB2       LYS  13   0.500   3.806  -5.246
   91   2HB   LYS  13          HB1       LYS  13   1.294   4.892  -6.374
   92   1HG   LYS  13          HG2       LYS  13   1.263   3.162  -7.775
   93   2HG   LYS  13          HG1       LYS  13   2.618   2.548  -6.825
   94   1HD   LYS  13          HD2       LYS  13   1.400   0.868  -5.983
   95   2HD   LYS  13          HD1       LYS  13   0.021   1.919  -5.655
   96   1HE   LYS  13          HE2       LYS  13  -0.880   0.534  -7.242
   97   2HE   LYS  13          HE1       LYS  13  -0.259   1.829  -8.264
   98   1HZ   LYS  13          HZ1       LYS  13   0.249  -0.651  -8.813
   99   2HZ   LYS  13          HZ2       LYS  13   1.478  -0.460  -7.666
  100   3HZ   LYS  13          HZ3       LYS  13   1.440   0.531  -9.036
  101    H    ARG  14           HN       ARG  14   1.910   6.519  -4.350
  102    HA   ARG  14           HA       ARG  14   3.940   7.760  -5.994
  103   1HB   ARG  14          HB2       ARG  14   2.874   9.862  -5.388
  104   2HB   ARG  14          HB1       ARG  14   1.664   8.688  -5.887
  105   1HG   ARG  14          HG2       ARG  14   0.709   8.599  -3.846
  106   2HG   ARG  14          HG1       ARG  14   2.243   8.805  -2.998
  107   1HD   ARG  14          HD2       ARG  14   1.303  10.826  -2.537
  108   2HD   ARG  14          HD1       ARG  14   2.081  11.223  -4.068
  109    HE   ARG  14           HE       ARG  14   0.012  11.456  -5.026
  110   1HH1  ARG  14          HH11      ARG  14  -0.332   9.836  -1.954
  111   2HH1  ARG  14          HH12      ARG  14  -2.061   9.928  -1.958
  112   1HH2  ARG  14          HH21      ARG  14  -2.262  11.580  -5.031
  113   2HH2  ARG  14          HH22      ARG  14  -3.157  10.917  -3.705
  114    H    ARG  15           HN       ARG  15   4.158   6.378  -3.070
  115    HA   ARG  15           HA       ARG  15   5.788   8.472  -1.848
  116   1HB   ARG  15          HB2       ARG  15   3.958   6.950  -0.672
  117   2HB   ARG  15          HB1       ARG  15   5.320   5.851  -0.512
  118   1HG   ARG  15          HG2       ARG  15   6.137   7.006   1.192
  119   2HG   ARG  15          HG1       ARG  15   6.086   8.509   0.269
  120   1HD   ARG  15          HD2       ARG  15   3.443   7.655   1.104
  121   2HD   ARG  15          HD1       ARG  15   4.533   7.858   2.475
  122    HE   ARG  15           HE       ARG  15   4.693  10.066   0.693
  123   1HH1  ARG  15          HH11      ARG  15   2.709   8.663   3.198
  124   2HH1  ARG  15          HH12      ARG  15   2.027  10.180   3.681
  125   1HH2  ARG  15          HH21      ARG  15   3.797  12.062   1.327
  126   2HH2  ARG  15          HH22      ARG  15   2.644  12.110   2.618
  127    H    GLY  16           HN       GLY  16   6.441   6.459  -4.159
  128   1HA   GLY  16          HA2       GLY  16   8.481   5.721  -4.944
  129   2HA   GLY  16          HA1       GLY  16   9.186   6.152  -3.398
  130    H    TYR  17           HN       TYR  17   6.612   3.868  -4.328
  131    HA   TYR  17           HA       TYR  17   8.252   1.696  -3.220
  132   1HB   TYR  17          HB2       TYR  17   5.328   2.203  -2.636
  133   2HB   TYR  17          HB1       TYR  17   6.170   0.710  -2.235
  134    HD1  TYR  17           HD1      TYR  17   7.231   0.505  -0.175
  135    HD2  TYR  17           HD2      TYR  17   6.322   4.388  -1.653
  136    HE1  TYR  17           HE1      TYR  17   7.952   1.481   1.964
  137    HE2  TYR  17           HE2      TYR  17   7.041   5.376   0.481
  138    HH   TYR  17           HH       TYR  17   8.837   3.749   2.747
  139    H    ARG  18           HN       ARG  18   7.273  -0.499  -3.831
  140    HA   ARG  18           HA       ARG  18   6.486  -0.357  -6.658
  141   1HB   ARG  18          HB2       ARG  18   8.605  -1.641  -5.595
  142   2HB   ARG  18          HB1       ARG  18   7.410  -2.927  -5.516
  143   1HG   ARG  18          HG2       ARG  18   8.011  -1.388  -8.026
  144   2HG   ARG  18          HG1       ARG  18   8.830  -2.886  -7.580
  145   1HD   ARG  18          HD2       ARG  18   6.307  -3.696  -7.289
  146   2HD   ARG  18          HD1       ARG  18   6.046  -2.435  -8.492
  147    HE   ARG  18           HE       ARG  18   8.161  -3.972  -9.401
  148   1HH1  ARG  18          HH11      ARG  18   4.781  -4.435  -8.666
  149   2HH1  ARG  18          HH12      ARG  18   4.572  -5.698  -9.832
  150   1HH2  ARG  18          HH21      ARG  18   7.889  -5.633 -10.935
  151   2HH2  ARG  18          HH22      ARG  18   6.337  -6.379 -11.120
  152    H    SER  19           HN       SER  19   5.928  -2.400  -3.777
  153    HA   SER  19           HA       SER  19   3.100  -2.439  -4.268
  154   1HB   SER  19          HB2       SER  19   4.002  -4.144  -5.898
  155   2HB   SER  19          HB1       SER  19   4.547  -5.083  -4.509
  156    HG   SER  19           HG       SER  19   2.535  -5.831  -5.076
  157    H    GLY  20           HN       GLY  20   1.907  -3.545  -2.585
  158   1HA   GLY  20          HA2       GLY  20   3.418  -4.509  -0.295
  159   2HA   GLY  20          HA1       GLY  20   2.540  -3.009  -0.047
  160    H    LYS  21           HN       LYS  21   1.467  -4.266   1.635
  161    HA   LYS  21           HA       LYS  21  -0.984  -5.414   0.610
  162   1HB   LYS  21          HB2       LYS  21  -0.833  -7.441   1.962
  163   2HB   LYS  21          HB1       LYS  21   0.472  -7.367   0.784
  164   1HG   LYS  21          HG2       LYS  21   1.603  -6.153   2.922
  165   2HG   LYS  21          HG1       LYS  21   0.562  -7.342   3.702
  166   1HD   LYS  21          HD2       LYS  21   1.779  -8.706   1.589
  167   2HD   LYS  21          HD1       LYS  21   3.059  -7.721   2.299
  168   1HE   LYS  21          HE2       LYS  21   1.278  -9.232   4.136
  169   2HE   LYS  21          HE1       LYS  21   2.473 -10.141   3.211
  170   1HZ   LYS  21          HZ1       LYS  21   3.248  -7.742   4.747
  171   2HZ   LYS  21          HZ2       LYS  21   4.219  -9.023   4.222
  172   3HZ   LYS  21          HZ3       LYS  21   3.134  -9.254   5.498
  173    H    CYS  22           HN       CYS  22  -2.710  -5.103   1.946
  174    HA   CYS  22           HA       CYS  22  -2.188  -3.507   4.341
  175   1HB   CYS  22          HB2       CYS  22  -3.743  -2.316   3.137
  176   2HB   CYS  22          HB1       CYS  22  -4.457  -3.757   2.426
  177    H    ILE  23           HN       ILE  23  -1.806  -4.853   6.018
  178    HA   ILE  23           HA       ILE  23  -3.114  -7.351   6.382
  179    HB   ILE  23           HB       ILE  23  -1.697  -5.730   8.500
  180   1HG1  ILE  23          HG12      ILE  23  -0.287  -6.045   6.480
  181   2HG1  ILE  23          HG11      ILE  23   0.337  -6.910   7.880
  182   1HG2  ILE  23          HG21      ILE  23  -2.681  -7.432   9.665
  183   2HG2  ILE  23          HG22      ILE  23  -1.178  -8.220   9.185
  184   3HG2  ILE  23          HG23      ILE  23  -2.663  -8.534   8.289
  185   1HD1  ILE  23          HD11      ILE  23  -0.266  -8.981   7.017
  186   2HD1  ILE  23          HD12      ILE  23   0.333  -8.095   5.615
  187   3HD1  ILE  23          HD13      ILE  23  -1.403  -8.277   5.867
  188    H    ASN  24           HN       ASN  24  -4.556  -7.926   8.108
  189    HA   ASN  24           HA       ASN  24  -6.903  -6.620   8.243
  190   1HB   ASN  24          HB2       ASN  24  -5.598  -8.286  10.383
  191   2HB   ASN  24          HB1       ASN  24  -7.273  -7.753  10.475
  192   1HD2  ASN  24          HD21      ASN  24  -8.775  -8.567   8.989
  193   2HD2  ASN  24          HD22      ASN  24  -8.478 -10.026   8.112
  194    H    ASN  25           HN       ASN  25  -4.069  -5.765   9.993
  195    HA   ASN  25           HA       ASN  25  -5.311  -3.291  10.827
  196   1HB   ASN  25          HB2       ASN  25  -5.255  -5.416  12.634
  197   2HB   ASN  25          HB1       ASN  25  -3.899  -4.399  13.110
  198   1HD2  ASN  25          HD21      ASN  25  -7.173  -4.899  13.394
  199   2HD2  ASN  25          HD22      ASN  25  -7.624  -3.366  14.051
  200    H    ALA  26           HN       ALA  26  -3.223  -3.899   8.969
  201    HA   ALA  26           HA       ALA  26  -1.290  -2.013   9.803
  202   1HB   ALA  26          HB1       ALA  26   0.606  -3.886   9.617
  203   2HB   ALA  26          HB2       ALA  26  -0.688  -4.859  10.317
  204   3HB   ALA  26          HB3       ALA  26  -0.126  -3.409  11.149
  205    H    CYS  27           HN       CYS  27  -1.047  -1.020   7.912
  206    HA   CYS  27           HA       CYS  27  -0.898  -2.596   5.452
  207   1HB   CYS  27          HB2       CYS  27  -2.405  -0.527   5.745
  208   2HB   CYS  27          HB1       CYS  27  -0.922   0.412   5.616
  209    H    LYS  28           HN       LYS  28   0.983  -2.987   4.458
  210    HA   LYS  28           HA       LYS  28   3.222  -1.148   4.854
  211   1HB   LYS  28          HB2       LYS  28   3.067  -3.414   6.378
  212   2HB   LYS  28          HB1       LYS  28   4.023  -3.971   5.012
  213   1HG   LYS  28          HG2       LYS  28   5.744  -3.195   6.216
  214   2HG   LYS  28          HG1       LYS  28   5.258  -1.632   5.556
  215   1HD   LYS  28          HD2       LYS  28   3.742  -1.427   7.594
  216   2HD   LYS  28          HD1       LYS  28   4.637  -2.794   8.259
  217   1HE   LYS  28          HE2       LYS  28   6.719  -1.324   7.627
  218   2HE   LYS  28          HE1       LYS  28   5.548  -0.009   7.708
  219   1HZ   LYS  28          HZ1       LYS  28   5.005  -1.288   9.973
  220   2HZ   LYS  28          HZ2       LYS  28   6.131  -0.030   9.866
  221   3HZ   LYS  28          HZ3       LYS  28   6.656  -1.638   9.841
  222    H    CYS  29           HN       CYS  29   4.522  -0.930   3.116
  223    HA   CYS  29           HA       CYS  29   4.192  -2.811   0.885
  224   1HB   CYS  29          HB2       CYS  29   4.743  -0.359  -0.302
  225   2HB   CYS  29          HB1       CYS  29   3.195  -1.188  -0.293
  226    H    TYR  30           HN       TYR  30   5.965  -2.535  -0.767
  227    HA   TYR  30           HA       TYR  30   8.487  -1.632   0.405
  228   1HB   TYR  30          HB2       TYR  30   8.452  -4.298  -0.946
  229   2HB   TYR  30          HB1       TYR  30   9.571  -3.671   0.258
  230    HD1  TYR  30           HD1      TYR  30   8.831  -3.536   2.656
  231    HD2  TYR  30           HD2      TYR  30   6.555  -5.558  -0.315
  232    HE1  TYR  30           HE1      TYR  30   7.597  -4.725   4.419
  233    HE2  TYR  30           HE2      TYR  30   5.315  -6.753   1.439
  234    HH   TYR  30           HH       TYR  30   6.308  -6.835   4.660
  235    HA   PRO  31           HA       PRO  31   9.237  -0.301  -3.744
  236   1HB   PRO  31          HB2       PRO  31  11.884   0.113  -3.664
  237   2HB   PRO  31          HB1       PRO  31  10.763   1.113  -2.731
  238   1HG   PRO  31          HG2       PRO  31  12.462  -1.178  -1.825
  239   2HG   PRO  31          HG1       PRO  31  12.153   0.373  -1.022
  240   1HD   PRO  31          HD2       PRO  31  10.868  -1.967  -0.385
  241   2HD   PRO  31          HD1       PRO  31  10.182  -0.354  -0.115
  242    H    TYR  32           HN       TYR  32  11.163  -0.688  -5.469
  243    HA   TYR  32           HA       TYR  32  10.816  -3.309  -6.412
  244   1HB   TYR  32          HB2       TYR  32  11.897  -0.912  -7.396
  245   2HB   TYR  32          HB1       TYR  32  13.206  -2.085  -7.491
  246    HD1  TYR  32           HD1      TYR  32  11.987  -4.559  -8.214
  247    HD2  TYR  32           HD2      TYR  32  10.938  -0.633  -9.473
  248    HE1  TYR  32           HE1      TYR  32  11.008  -5.486 -10.271
  249    HE2  TYR  32           HE2      TYR  32   9.956  -1.549 -11.533
  250    HH   TYR  32           HH       TYR  32  10.551  -4.558 -12.673
  Start of MODEL   17
    1   1H    ALA   1           HT1      ALA   1 -13.532   5.149   9.796
    2   2H    ALA   1           HT2      ALA   1 -14.400   6.150   8.704
    3   3H    ALA   1           HT3      ALA   1 -12.689   6.254   8.793
    4    HA   ALA   1           HA       ALA   1 -14.351   4.084   7.733
    5   1HB   ALA   1          HB1       ALA   1 -12.936   4.450   5.738
    6   2HB   ALA   1          HB2       ALA   1 -12.165   5.802   6.567
    7   3HB   ALA   1          HB3       ALA   1 -13.885   5.869   6.182
    8    H    VAL   2           HN       VAL   2 -12.708   2.529   6.514
    9    HA   VAL   2           HA       VAL   2 -10.738   1.672   8.535
   10    HB   VAL   2           HB       VAL   2 -11.629  -0.343   6.577
   11   1HG1  VAL   2          HG11      VAL   2 -10.268  -0.310   8.973
   12   2HG1  VAL   2          HG12      VAL   2 -10.898  -1.738   8.153
   13   3HG1  VAL   2          HG13      VAL   2 -11.852  -0.951   9.411
   14   1HG2  VAL   2          HG21      VAL   2 -13.802   0.425   6.830
   15   2HG2  VAL   2          HG22      VAL   2 -13.538   0.931   8.499
   16   3HG2  VAL   2          HG23      VAL   2 -13.678  -0.783   8.109
   17    H    CYS   3           HN       CYS   3  -8.972   0.288   7.599
   18    HA   CYS   3           HA       CYS   3  -7.485   1.774   5.748
   19   1HB   CYS   3          HB2       CYS   3  -6.368   0.377   7.356
   20   2HB   CYS   3          HB1       CYS   3  -7.164  -1.063   6.734
   21    H    VAL   4           HN       VAL   4  -7.076   1.553   3.596
   22    HA   VAL   4           HA       VAL   4  -8.703  -0.424   2.133
   23    HB   VAL   4           HB       VAL   4  -7.902   2.307   1.129
   24   1HG1  VAL   4          HG11      VAL   4  -8.268   0.551  -0.582
   25   2HG1  VAL   4          HG12      VAL   4  -9.427   1.877  -0.685
   26   3HG1  VAL   4          HG13      VAL   4  -9.908   0.340   0.034
   27   1HG2  VAL   4          HG21      VAL   4  -9.447   2.930   2.690
   28   2HG2  VAL   4          HG22      VAL   4 -10.288   1.380   2.639
   29   3HG2  VAL   4          HG23      VAL   4 -10.525   2.556   1.345
   30    H    TYR   5           HN       TYR   5  -7.646  -1.742   0.783
   31    HA   TYR   5           HA       TYR   5  -4.847  -1.868   0.746
   32   1HB   TYR   5          HB2       TYR   5  -5.856  -3.908   0.346
   33   2HB   TYR   5          HB1       TYR   5  -7.027  -3.220  -0.765
   34    HD1  TYR   5           HD1      TYR   5  -3.779  -4.772  -0.429
   35    HD2  TYR   5           HD2      TYR   5  -6.331  -2.657  -3.097
   36    HE1  TYR   5           HE1      TYR   5  -2.406  -5.520  -2.327
   37    HE2  TYR   5           HE2      TYR   5  -4.965  -3.401  -5.002
   38    HH   TYR   5           HH       TYR   5  -2.810  -5.883  -4.862
   39    H    ARG   6           HN       ARG   6  -7.133  -0.730  -1.722
   40    HA   ARG   6           HA       ARG   6  -5.143  -0.071  -3.619
   41   1HB   ARG   6          HB2       ARG   6  -7.783  -0.398  -3.789
   42   2HB   ARG   6          HB1       ARG   6  -7.732   1.353  -3.668
   43   1HG   ARG   6          HG2       ARG   6  -7.108   1.561  -5.783
   44   2HG   ARG   6          HG1       ARG   6  -5.786   0.413  -5.567
   45   1HD   ARG   6          HD2       ARG   6  -6.931  -0.923  -6.943
   46   2HD   ARG   6          HD1       ARG   6  -8.006  -1.207  -5.574
   47    HE   ARG   6           HE       ARG   6  -8.820   1.115  -6.938
   48   1HH1  ARG   6          HH11      ARG   6  -8.737  -2.351  -7.335
   49   2HH1  ARG   6          HH12      ARG   6 -10.120  -2.391  -8.376
   50   1HH2  ARG   6          HH21      ARG   6 -10.640   1.065  -8.306
   51   2HH2  ARG   6          HH22      ARG   6 -11.201  -0.452  -8.928
   52    H    THR   7           HN       THR   7  -6.819   1.814  -1.140
   53    HA   THR   7           HA       THR   7  -5.720   4.313  -1.968
   54    HB   THR   7           HB       THR   7  -6.660   3.792   0.831
   55    HG1  THR   7           HG1      THR   7  -8.381   4.137  -1.393
   56   1HG2  THR   7          HG21      THR   7  -6.034   6.043   0.443
   57   2HG2  THR   7          HG22      THR   7  -7.797   5.983   0.459
   58   3HG2  THR   7          HG23      THR   7  -6.932   6.097  -1.074
   59    H    CYS   8           HN       CYS   8  -4.894   1.882   0.425
   60    HA   CYS   8           HA       CYS   8  -2.746   3.342   1.599
   61   1HB   CYS   8          HB2       CYS   8  -4.001   1.345   2.596
   62   2HB   CYS   8          HB1       CYS   8  -2.996   0.334   1.563
   63    H    ASP   9           HN       ASP   9  -2.963   0.877  -0.923
   64    HA   ASP   9           HA       ASP   9  -0.209   0.566  -1.378
   65   1HB   ASP   9          HB2       ASP   9  -2.052  -0.941  -2.219
   66   2HB   ASP   9          HB1       ASP   9  -2.395   0.276  -3.445
   67    H    LYS  10           HN       LYS  10  -2.617   2.686  -2.911
   68    HA   LYS  10           HA       LYS  10  -0.811   3.861  -4.736
   69   1HB   LYS  10          HB2       LYS  10  -3.568   4.117  -4.068
   70   2HB   LYS  10          HB1       LYS  10  -2.858   5.720  -4.142
   71   1HG   LYS  10          HG2       LYS  10  -2.144   3.923  -6.354
   72   2HG   LYS  10          HG1       LYS  10  -3.843   4.395  -6.270
   73   1HD   LYS  10          HD2       LYS  10  -1.732   6.485  -5.983
   74   2HD   LYS  10          HD1       LYS  10  -2.112   5.859  -7.589
   75   1HE   LYS  10          HE2       LYS  10  -4.598   6.321  -6.559
   76   2HE   LYS  10          HE1       LYS  10  -3.658   7.625  -5.836
   77   1HZ   LYS  10          HZ1       LYS  10  -4.257   7.112  -8.660
   78   2HZ   LYS  10          HZ2       LYS  10  -2.807   7.890  -8.273
   79   3HZ   LYS  10          HZ3       LYS  10  -4.282   8.570  -7.803
   80    H    ASP  11           HN       ASP  11  -1.836   4.737  -1.475
   81    HA   ASP  11           HA       ASP  11  -0.660   7.268  -1.334
   82   1HB   ASP  11          HB2       ASP  11  -2.136   5.782   0.373
   83   2HB   ASP  11          HB1       ASP  11  -0.549   5.617   1.107
   84    H    CYS  12           HN       CYS  12   0.645   4.116  -0.327
   85    HA   CYS  12           HA       CYS  12   3.218   5.157   0.304
   86   1HB   CYS  12          HB2       CYS  12   2.149   2.993   1.162
   87   2HB   CYS  12          HB1       CYS  12   2.633   2.280  -0.373
   88    H    LYS  13           HN       LYS  13   1.897   3.448  -2.514
   89    HA   LYS  13           HA       LYS  13   4.250   3.131  -3.963
   90   1HB   LYS  13          HB2       LYS  13   1.370   3.402  -4.728
   91   2HB   LYS  13          HB1       LYS  13   2.596   3.399  -5.988
   92   1HG   LYS  13          HG2       LYS  13   3.242   1.216  -5.534
   93   2HG   LYS  13          HG1       LYS  13   2.526   1.239  -3.920
   94   1HD   LYS  13          HD2       LYS  13   1.171  -0.114  -5.403
   95   2HD   LYS  13          HD1       LYS  13   0.285   1.342  -4.946
   96   1HE   LYS  13          HE2       LYS  13  -0.113   1.372  -7.186
   97   2HE   LYS  13          HE1       LYS  13   1.408   2.264  -7.164
   98   1HZ   LYS  13          HZ1       LYS  13   2.582   0.438  -7.935
   99   2HZ   LYS  13          HZ2       LYS  13   1.144   0.351  -8.820
  100   3HZ   LYS  13          HZ3       LYS  13   1.382  -0.668  -7.491
  101    H    ARG  14           HN       ARG  14   2.042   5.891  -3.819
  102    HA   ARG  14           HA       ARG  14   3.374   7.433  -5.788
  103   1HB   ARG  14          HB2       ARG  14   1.228   7.853  -3.814
  104   2HB   ARG  14          HB1       ARG  14   2.140   9.298  -4.228
  105   1HG   ARG  14          HG2       ARG  14   1.695   8.343  -6.689
  106   2HG   ARG  14          HG1       ARG  14   0.279   7.696  -5.860
  107   1HD   ARG  14          HD2       ARG  14   0.603  10.381  -5.023
  108   2HD   ARG  14          HD1       ARG  14   0.761  10.352  -6.778
  109    HE   ARG  14           HE       ARG  14  -1.445   8.856  -6.339
  110   1HH1  ARG  14          HH11      ARG  14  -0.480  12.040  -5.286
  111   2HH1  ARG  14          HH12      ARG  14  -2.101  12.642  -5.206
  112   1HH2  ARG  14          HH21      ARG  14  -3.580   9.646  -6.233
  113   2HH2  ARG  14          HH22      ARG  14  -3.861  11.284  -5.742
  114    H    ARG  15           HN       ARG  15   4.109   6.719  -2.517
  115    HA   ARG  15           HA       ARG  15   5.688   9.090  -2.058
  116   1HB   ARG  15          HB2       ARG  15   4.440   7.595  -0.318
  117   2HB   ARG  15          HB1       ARG  15   5.885   6.596  -0.405
  118   1HG   ARG  15          HG2       ARG  15   6.114   9.530   0.108
  119   2HG   ARG  15          HG1       ARG  15   5.705   8.419   1.417
  120   1HD   ARG  15          HD2       ARG  15   7.777   7.093   0.438
  121   2HD   ARG  15          HD1       ARG  15   8.229   8.701  -0.127
  122    HE   ARG  15           HE       ARG  15   7.544   8.892   2.573
  123   1HH1  ARG  15          HH11      ARG  15  10.008   7.435   0.577
  124   2HH1  ARG  15          HH12      ARG  15  11.225   7.510   1.807
  125   1HH2  ARG  15          HH21      ARG  15   9.144   8.991   4.192
  126   2HH2  ARG  15          HH22      ARG  15  10.734   8.393   3.859
  127    H    GLY  16           HN       GLY  16   6.396   5.612  -2.420
  128   1HA   GLY  16          HA2       GLY  16   8.571   5.931  -4.133
  129   2HA   GLY  16          HA1       GLY  16   9.201   5.929  -2.493
  130    H    TYR  17           HN       TYR  17   6.431   4.081  -3.665
  131    HA   TYR  17           HA       TYR  17   8.019   1.623  -3.382
  132   1HB   TYR  17          HB2       TYR  17   5.300   2.201  -2.208
  133   2HB   TYR  17          HB1       TYR  17   5.926   0.566  -2.398
  134    HD1  TYR  17           HD1      TYR  17   6.939  -0.374  -0.556
  135    HD2  TYR  17           HD2      TYR  17   7.058   3.854  -1.012
  136    HE1  TYR  17           HE1      TYR  17   8.111  -0.181   1.596
  137    HE2  TYR  17           HE2      TYR  17   8.232   4.059   1.139
  138    HH   TYR  17           HH       TYR  17   8.415   2.659   3.277
  139    H    ARG  18           HN       ARG  18   6.702  -0.315  -4.280
  140    HA   ARG  18           HA       ARG  18   5.451   0.550  -6.803
  141   1HB   ARG  18          HB2       ARG  18   6.339  -1.466  -7.844
  142   2HB   ARG  18          HB1       ARG  18   7.636  -0.509  -7.144
  143   1HG   ARG  18          HG2       ARG  18   8.144  -2.075  -5.589
  144   2HG   ARG  18          HG1       ARG  18   6.479  -2.639  -5.449
  145   1HD   ARG  18          HD2       ARG  18   7.603  -3.146  -8.079
  146   2HD   ARG  18          HD1       ARG  18   8.539  -3.906  -6.793
  147    HE   ARG  18           HE       ARG  18   5.707  -4.340  -6.571
  148   1HH1  ARG  18          HH11      ARG  18   8.671  -5.485  -8.014
  149   2HH1  ARG  18          HH12      ARG  18   8.090  -7.102  -8.225
  150   1HH2  ARG  18          HH21      ARG  18   4.941  -6.467  -6.848
  151   2HH2  ARG  18          HH22      ARG  18   5.972  -7.660  -7.564
  152    H    SER  19           HN       SER  19   5.275  -1.664  -4.083
  153    HA   SER  19           HA       SER  19   2.498  -2.219  -4.797
  154   1HB   SER  19          HB2       SER  19   3.230  -4.697  -3.935
  155   2HB   SER  19          HB1       SER  19   3.113  -4.235  -5.632
  156    HG   SER  19           HG       SER  19   5.493  -3.882  -4.151
  157    H    GLY  20           HN       GLY  20   1.688  -3.880  -2.905
  158   1HA   GLY  20          HA2       GLY  20   2.634  -3.865  -0.359
  159   2HA   GLY  20          HA1       GLY  20   1.897  -2.279  -0.517
  160    H    LYS  21           HN       LYS  21   1.056  -4.214   1.325
  161    HA   LYS  21           HA       LYS  21  -1.701  -4.577   0.421
  162   1HB   LYS  21          HB2       LYS  21   0.171  -6.730   1.291
  163   2HB   LYS  21          HB1       LYS  21  -1.510  -6.844   1.794
  164   1HG   LYS  21          HG2       LYS  21  -2.096  -6.532  -0.664
  165   2HG   LYS  21          HG1       LYS  21  -0.390  -6.847  -0.987
  166   1HD   LYS  21          HD2       LYS  21  -0.947  -9.011  -1.014
  167   2HD   LYS  21          HD1       LYS  21  -1.093  -8.878   0.740
  168   1HE   LYS  21          HE2       LYS  21  -3.505  -8.047   0.183
  169   2HE   LYS  21          HE1       LYS  21  -3.226  -8.868  -1.352
  170   1HZ   LYS  21          HZ1       LYS  21  -2.441 -10.742   0.366
  171   2HZ   LYS  21          HZ2       LYS  21  -4.024 -10.620  -0.217
  172   3HZ   LYS  21          HZ3       LYS  21  -3.630  -9.980   1.298
  173    H    CYS  22           HN       CYS  22  -3.234  -4.404   2.037
  174    HA   CYS  22           HA       CYS  22  -2.238  -3.304   4.550
  175   1HB   CYS  22          HB2       CYS  22  -3.880  -1.934   3.458
  176   2HB   CYS  22          HB1       CYS  22  -4.979  -3.297   3.279
  177    H    ILE  23           HN       ILE  23  -1.835  -4.791   6.058
  178    HA   ILE  23           HA       ILE  23  -3.263  -7.269   6.222
  179    HB   ILE  23           HB       ILE  23  -1.466  -6.107   8.347
  180   1HG1  ILE  23          HG12      ILE  23  -0.342  -6.095   6.128
  181   2HG1  ILE  23          HG11      ILE  23   0.403  -7.215   7.263
  182   1HG2  ILE  23          HG21      ILE  23  -2.617  -8.784   7.762
  183   2HG2  ILE  23          HG22      ILE  23  -2.404  -7.957   9.305
  184   3HG2  ILE  23          HG23      ILE  23  -1.018  -8.696   8.501
  185   1HD1  ILE  23          HD11      ILE  23   0.241  -8.169   5.033
  186   2HD1  ILE  23          HD12      ILE  23  -1.510  -7.956   5.062
  187   3HD1  ILE  23          HD13      ILE  23  -0.738  -9.075   6.187
  188    H    ASN  24           HN       ASN  24  -4.507  -7.983   8.042
  189    HA   ASN  24           HA       ASN  24  -6.670  -6.502   8.687
  190   1HB   ASN  24          HB2       ASN  24  -5.331  -8.675  10.270
  191   2HB   ASN  24          HB1       ASN  24  -6.876  -7.981  10.749
  192   1HD2  ASN  24          HD21      ASN  24  -8.439  -7.826   8.777
  193   2HD2  ASN  24          HD22      ASN  24  -8.592  -9.286   7.866
  194    H    ASN  25           HN       ASN  25  -3.558  -6.114  10.079
  195    HA   ASN  25           HA       ASN  25  -4.546  -3.850  11.601
  196   1HB   ASN  25          HB2       ASN  25  -3.418  -4.583  13.686
  197   2HB   ASN  25          HB1       ASN  25  -4.760  -5.628  13.228
  198   1HD2  ASN  25          HD21      ASN  25  -1.282  -5.324  13.360
  199   2HD2  ASN  25          HD22      ASN  25  -0.937  -7.014  13.255
  200    H    ALA  26           HN       ALA  26  -2.755  -4.223   9.283
  201    HA   ALA  26           HA       ALA  26  -0.789  -2.340   9.962
  202   1HB   ALA  26          HB1       ALA  26   1.139  -4.138   9.498
  203   2HB   ALA  26          HB2       ALA  26  -0.032  -5.166  10.322
  204   3HB   ALA  26          HB3       ALA  26   0.580  -3.715  11.117
  205    H    CYS  27           HN       CYS  27  -0.452  -1.299   8.111
  206    HA   CYS  27           HA       CYS  27  -0.762  -2.754   5.591
  207   1HB   CYS  27          HB2       CYS  27  -1.937  -0.491   6.209
  208   2HB   CYS  27          HB1       CYS  27  -0.393   0.215   5.749
  209    H    LYS  28           HN       LYS  28   0.969  -3.420   4.528
  210    HA   LYS  28           HA       LYS  28   3.496  -1.946   4.897
  211   1HB   LYS  28          HB2       LYS  28   2.888  -4.746   5.320
  212   2HB   LYS  28          HB1       LYS  28   4.163  -4.555   4.124
  213   1HG   LYS  28          HG2       LYS  28   4.559  -2.844   6.433
  214   2HG   LYS  28          HG1       LYS  28   4.465  -4.552   6.866
  215   1HD   LYS  28          HD2       LYS  28   6.409  -5.055   5.830
  216   2HD   LYS  28          HD1       LYS  28   6.115  -3.926   4.506
  217   1HE   LYS  28          HE2       LYS  28   6.561  -2.612   7.074
  218   2HE   LYS  28          HE1       LYS  28   7.931  -3.584   6.539
  219   1HZ   LYS  28          HZ1       LYS  28   7.520  -1.073   5.773
  220   2HZ   LYS  28          HZ2       LYS  28   6.725  -1.883   4.519
  221   3HZ   LYS  28          HZ3       LYS  28   8.356  -2.205   4.832
  222    H    CYS  29           HN       CYS  29   4.673  -1.458   3.112
  223    HA   CYS  29           HA       CYS  29   3.610  -2.362   0.523
  224   1HB   CYS  29          HB2       CYS  29   4.809  -0.019  -0.127
  225   2HB   CYS  29          HB1       CYS  29   3.098  -0.177   0.243
  226    H    TYR  30           HN       TYR  30   5.142  -2.563  -1.210
  227    HA   TYR  30           HA       TYR  30   7.883  -3.034  -0.236
  228   1HB   TYR  30          HB2       TYR  30   6.636  -4.414  -2.607
  229   2HB   TYR  30          HB1       TYR  30   8.087  -4.870  -1.722
  230    HD1  TYR  30           HD1      TYR  30   7.890  -5.880   0.535
  231    HD2  TYR  30           HD2      TYR  30   4.470  -5.094  -1.870
  232    HE1  TYR  30           HE1      TYR  30   6.559  -7.393   1.945
  233    HE2  TYR  30           HE2      TYR  30   3.129  -6.604  -0.467
  234    HH   TYR  30           HH       TYR  30   3.554  -8.567   1.054
  235    HA   PRO  31           HA       PRO  31   9.027  -0.001  -3.293
  236   1HB   PRO  31          HB2       PRO  31  11.671  -0.022  -2.903
  237   2HB   PRO  31          HB1       PRO  31  10.568   0.615  -1.676
  238   1HG   PRO  31          HG2       PRO  31  11.941  -2.039  -1.796
  239   2HG   PRO  31          HG1       PRO  31  11.687  -0.971  -0.404
  240   1HD   PRO  31          HD2       PRO  31  10.136  -3.178  -0.991
  241   2HD   PRO  31          HD1       PRO  31   9.599  -1.805  -0.005
  242    H    TYR  32           HN       TYR  32  10.639   0.189  -5.127
  243    HA   TYR  32           HA       TYR  32  10.400  -2.111  -6.806
  244   1HB   TYR  32          HB2       TYR  32  10.616   0.570  -7.272
  245   2HB   TYR  32          HB1       TYR  32  12.239   0.021  -7.674
  246    HD1  TYR  32           HD1      TYR  32  12.355   0.114  -9.997
  247    HD2  TYR  32           HD2      TYR  32   8.965  -1.689  -8.165
  248    HE1  TYR  32           HE1      TYR  32  11.560  -0.621 -12.205
  249    HE2  TYR  32           HE2      TYR  32   8.161  -2.430 -10.367
  250    HH   TYR  32           HH       TYR  32   9.494  -2.931 -12.741
  Start of MODEL   18
    1   1H    ALA   1           HT1      ALA   1 -11.144   7.323   8.202
    2   2H    ALA   1           HT2      ALA   1 -12.182   6.304   9.114
    3   3H    ALA   1           HT3      ALA   1 -12.841   7.400   7.970
    4    HA   ALA   1           HA       ALA   1 -12.940   5.450   6.869
    5   1HB   ALA   1          HB1       ALA   1 -11.675   7.267   5.671
    6   2HB   ALA   1          HB2       ALA   1 -11.388   5.628   5.085
    7   3HB   ALA   1          HB3       ALA   1 -10.193   6.419   6.113
    8    H    VAL   2           HN       VAL   2 -11.913   3.414   6.156
    9    HA   VAL   2           HA       VAL   2 -10.286   2.282   8.333
   10    HB   VAL   2           HB       VAL   2 -11.551   0.425   6.419
   11   1HG1  VAL   2          HG11      VAL   2 -11.015   0.576   9.353
   12   2HG1  VAL   2          HG12      VAL   2 -10.504  -0.637   8.178
   13   3HG1  VAL   2          HG13      VAL   2 -12.180  -0.591   8.726
   14   1HG2  VAL   2          HG21      VAL   2 -13.157   2.262   8.155
   15   2HG2  VAL   2          HG22      VAL   2 -13.718   0.622   7.829
   16   3HG2  VAL   2          HG23      VAL   2 -13.458   1.746   6.495
   17    H    CYS   3           HN       CYS   3  -8.895   0.410   7.630
   18    HA   CYS   3           HA       CYS   3  -7.048   1.343   5.667
   19   1HB   CYS   3          HB2       CYS   3  -6.352   0.105   7.697
   20   2HB   CYS   3          HB1       CYS   3  -7.142  -1.337   7.069
   21    H    VAL   4           HN       VAL   4  -7.200   1.082   3.552
   22    HA   VAL   4           HA       VAL   4  -8.652  -1.268   2.521
   23    HB   VAL   4           HB       VAL   4  -8.355   1.392   1.125
   24   1HG1  VAL   4          HG11      VAL   4  -9.548  -1.219   0.426
   25   2HG1  VAL   4          HG12      VAL   4  -8.826   0.014  -0.608
   26   3HG1  VAL   4          HG13      VAL   4 -10.476   0.214  -0.017
   27   1HG2  VAL   4          HG21      VAL   4  -9.710   1.615   3.161
   28   2HG2  VAL   4          HG22      VAL   4 -10.748   0.302   2.605
   29   3HG2  VAL   4          HG23      VAL   4 -10.679   1.815   1.702
   30    H    TYR   5           HN       TYR   5  -7.859  -2.265   0.630
   31    HA   TYR   5           HA       TYR   5  -5.051  -2.462   0.477
   32   1HB   TYR   5          HB2       TYR   5  -6.236  -4.395  -0.117
   33   2HB   TYR   5          HB1       TYR   5  -7.295  -3.510  -1.200
   34    HD1  TYR   5           HD1      TYR   5  -3.809  -4.707  -0.797
   35    HD2  TYR   5           HD2      TYR   5  -6.797  -3.334  -3.494
   36    HE1  TYR   5           HE1      TYR   5  -2.372  -5.328  -2.694
   37    HE2  TYR   5           HE2      TYR   5  -5.370  -3.952  -5.399
   38    HH   TYR   5           HH       TYR   5  -3.523  -5.402  -5.924
   39    H    ARG   6           HN       ARG   6  -7.435  -0.956  -1.673
   40    HA   ARG   6           HA       ARG   6  -5.559  -0.061  -3.585
   41   1HB   ARG   6          HB2       ARG   6  -8.225  -0.263  -3.579
   42   2HB   ARG   6          HB1       ARG   6  -8.074   1.445  -3.205
   43   1HG   ARG   6          HG2       ARG   6  -6.467   0.421  -5.465
   44   2HG   ARG   6          HG1       ARG   6  -8.214   0.530  -5.693
   45   1HD   ARG   6          HD2       ARG   6  -7.530   2.930  -4.482
   46   2HD   ARG   6          HD1       ARG   6  -6.215   2.629  -5.617
   47    HE   ARG   6           HE       ARG   6  -7.667   2.998  -7.351
   48   1HH1  ARG   6          HH11      ARG   6  -9.495   2.573  -4.408
   49   2HH1  ARG   6          HH12      ARG   6 -10.998   3.045  -5.126
   50   1HH2  ARG   6          HH21      ARG   6  -9.644   3.621  -8.296
   51   2HH2  ARG   6          HH22      ARG   6 -11.084   3.640  -7.333
   52    H    THR   7           HN       THR   7  -6.866   1.352  -0.648
   53    HA   THR   7           HA       THR   7  -5.807   3.965  -1.122
   54    HB   THR   7           HB       THR   7  -6.710   2.673   1.457
   55    HG1  THR   7           HG1      THR   7  -8.660   3.706   1.032
   56   1HG2  THR   7          HG21      THR   7  -7.054   4.915   2.294
   57   2HG2  THR   7          HG22      THR   7  -6.409   5.590   0.798
   58   3HG2  THR   7          HG23      THR   7  -5.361   4.663   1.871
   59    H    CYS   8           HN       CYS   8  -4.857   1.175   0.808
   60    HA   CYS   8           HA       CYS   8  -2.534   2.298   1.948
   61   1HB   CYS   8          HB2       CYS   8  -3.399   0.317   2.935
   62   2HB   CYS   8          HB1       CYS   8  -3.397  -0.541   1.402
   63    H    ASP   9           HN       ASP   9  -3.074   0.425  -0.999
   64    HA   ASP   9           HA       ASP   9  -0.394   0.210  -1.801
   65   1HB   ASP   9          HB2       ASP   9  -2.327  -1.103  -2.730
   66   2HB   ASP   9          HB1       ASP   9  -2.811   0.341  -3.614
   67    H    LYS  10           HN       LYS  10  -2.922   2.527  -2.757
   68    HA   LYS  10           HA       LYS  10  -1.274   4.070  -4.433
   69   1HB   LYS  10          HB2       LYS  10  -3.957   4.158  -3.502
   70   2HB   LYS  10          HB1       LYS  10  -3.252   5.752  -3.297
   71   1HG   LYS  10          HG2       LYS  10  -2.428   5.323  -5.764
   72   2HG   LYS  10          HG1       LYS  10  -3.812   4.227  -5.778
   73   1HD   LYS  10          HD2       LYS  10  -4.364   6.863  -4.617
   74   2HD   LYS  10          HD1       LYS  10  -3.922   6.898  -6.325
   75   1HE   LYS  10          HE2       LYS  10  -6.069   6.427  -6.727
   76   2HE   LYS  10          HE1       LYS  10  -5.681   4.792  -6.194
   77   1HZ   LYS  10          HZ1       LYS  10  -7.345   5.187  -4.757
   78   2HZ   LYS  10          HZ2       LYS  10  -7.195   6.870  -4.848
   79   3HZ   LYS  10          HZ3       LYS  10  -6.149   5.981  -3.860
   80    H    ASP  11           HN       ASP  11  -2.089   4.429  -1.001
   81    HA   ASP  11           HA       ASP  11  -0.857   6.868  -0.515
   82   1HB   ASP  11          HB2       ASP  11  -2.204   5.096   1.015
   83   2HB   ASP  11          HB1       ASP  11  -0.569   4.825   1.590
   84    H    CYS  12           HN       CYS  12   0.496   3.595  -0.240
   85    HA   CYS  12           HA       CYS  12   3.104   4.528   0.426
   86   1HB   CYS  12          HB2       CYS  12   2.072   2.228   0.905
   87   2HB   CYS  12          HB1       CYS  12   2.506   1.829  -0.753
   88    H    LYS  13           HN       LYS  13   1.639   3.351  -2.598
   89    HA   LYS  13           HA       LYS  13   3.860   3.278  -4.219
   90   1HB   LYS  13          HB2       LYS  13   1.171   3.023  -4.637
   91   2HB   LYS  13          HB1       LYS  13   1.518   4.509  -5.506
   92   1HG   LYS  13          HG2       LYS  13   2.346   3.360  -7.203
   93   2HG   LYS  13          HG1       LYS  13   3.523   2.587  -6.141
   94   1HD   LYS  13          HD2       LYS  13   2.460   0.674  -6.595
   95   2HD   LYS  13          HD1       LYS  13   1.173   1.270  -5.545
   96   1HE   LYS  13          HE2       LYS  13  -0.056   0.840  -7.412
   97   2HE   LYS  13          HE1       LYS  13   0.433   2.495  -7.776
   98   1HZ   LYS  13          HZ1       LYS  13   2.445   1.286  -8.881
   99   2HZ   LYS  13          HZ2       LYS  13   0.978   1.438  -9.710
  100   3HZ   LYS  13          HZ3       LYS  13   1.374  -0.022  -8.953
  101    H    ARG  14           HN       ARG  14   1.779   6.099  -3.592
  102    HA   ARG  14           HA       ARG  14   3.284   7.897  -5.156
  103   1HB   ARG  14          HB2       ARG  14   1.473   8.436  -2.795
  104   2HB   ARG  14          HB1       ARG  14   2.084   9.665  -3.895
  105   1HG   ARG  14          HG2       ARG  14   0.973   8.131  -5.714
  106   2HG   ARG  14          HG1       ARG  14   0.013   7.580  -4.340
  107   1HD   ARG  14          HD2       ARG  14  -0.013  10.313  -4.051
  108   2HD   ARG  14          HD1       ARG  14  -0.076  10.103  -5.801
  109    HE   ARG  14           HE       ARG  14  -1.935   8.447  -4.357
  110   1HH1  ARG  14          HH11      ARG  14  -1.416  11.571  -5.825
  111   2HH1  ARG  14          HH12      ARG  14  -3.104  11.885  -6.050
  112   1HH2  ARG  14          HH21      ARG  14  -4.156   8.858  -4.654
  113   2HH2  ARG  14          HH22      ARG  14  -4.659  10.345  -5.385
  114    H    ARG  15           HN       ARG  15   3.772   6.609  -1.990
  115    HA   ARG  15           HA       ARG  15   5.472   8.683  -1.015
  116   1HB   ARG  15          HB2       ARG  15   4.225   6.951   0.371
  117   2HB   ARG  15          HB1       ARG  15   5.470   5.807  -0.109
  118   1HG   ARG  15          HG2       ARG  15   6.457   8.341   1.007
  119   2HG   ARG  15          HG1       ARG  15   5.565   7.309   2.127
  120   1HD   ARG  15          HD2       ARG  15   7.079   5.420   1.218
  121   2HD   ARG  15          HD1       ARG  15   8.099   6.735   0.636
  122    HE   ARG  15           HE       ARG  15   7.779   5.864   3.351
  123   1HH1  ARG  15          HH11      ARG  15   8.604   8.568   1.306
  124   2HH1  ARG  15          HH12      ARG  15   9.551   9.359   2.522
  125   1HH2  ARG  15          HH21      ARG  15   9.025   6.902   4.951
  126   2HH2  ARG  15          HH22      ARG  15   9.791   8.413   4.590
  127    H    GLY  16           HN       GLY  16   5.908   6.118  -3.232
  128   1HA   GLY  16          HA2       GLY  16   7.905   6.250  -4.618
  129   2HA   GLY  16          HA1       GLY  16   8.801   6.545  -3.142
  130    H    TYR  17           HN       TYR  17   6.286   4.130  -3.712
  131    HA   TYR  17           HA       TYR  17   8.319   2.041  -3.261
  132   1HB   TYR  17          HB2       TYR  17   5.555   2.349  -2.142
  133   2HB   TYR  17          HB1       TYR  17   6.236   0.738  -2.350
  134    HD1  TYR  17           HD1      TYR  17   7.508   4.029  -1.089
  135    HD2  TYR  17           HD2      TYR  17   7.071  -0.146  -0.399
  136    HE1  TYR  17           HE1      TYR  17   8.703   4.263   1.047
  137    HE2  TYR  17           HE2      TYR  17   8.264   0.076   1.739
  138    HH   TYR  17           HH       TYR  17   9.929   1.658   2.763
  139    H    ARG  18           HN       ARG  18   7.231  -0.208  -3.906
  140    HA   ARG  18           HA       ARG  18   6.574   0.093  -6.727
  141   1HB   ARG  18          HB2       ARG  18   8.211  -1.656  -5.378
  142   2HB   ARG  18          HB1       ARG  18   6.784  -2.635  -5.691
  143   1HG   ARG  18          HG2       ARG  18   7.252  -1.350  -8.097
  144   2HG   ARG  18          HG1       ARG  18   8.864  -1.751  -7.500
  145   1HD   ARG  18          HD2       ARG  18   8.506  -3.996  -7.644
  146   2HD   ARG  18          HD1       ARG  18   6.781  -3.852  -7.310
  147    HE   ARG  18           HE       ARG  18   7.570  -2.796  -9.868
  148   1HH1  ARG  18          HH11      ARG  18   6.567  -5.649  -8.125
  149   2HH1  ARG  18          HH12      ARG  18   5.979  -6.458  -9.538
  150   1HH2  ARG  18          HH21      ARG  18   6.794  -3.858 -11.728
  151   2HH2  ARG  18          HH22      ARG  18   6.108  -5.442 -11.583
  152    H    SER  19           HN       SER  19   5.308  -1.697  -3.909
  153    HA   SER  19           HA       SER  19   2.606  -1.293  -4.897
  154   1HB   SER  19          HB2       SER  19   3.653  -4.097  -4.440
  155   2HB   SER  19          HB1       SER  19   2.012  -3.654  -4.911
  156    HG   SER  19           HG       SER  19   2.654  -3.387  -6.904
  157    H    GLY  20           HN       GLY  20   0.956  -2.025  -3.331
  158   1HA   GLY  20          HA2       GLY  20   1.993  -2.371  -0.605
  159   2HA   GLY  20          HA1       GLY  20   0.910  -1.031  -0.932
  160    H    LYS  21           HN       LYS  21   0.337  -2.970   0.970
  161    HA   LYS  21           HA       LYS  21  -2.234  -3.839   0.067
  162   1HB   LYS  21          HB2       LYS  21  -0.527  -5.598  -0.760
  163   2HB   LYS  21          HB1       LYS  21  -0.410  -6.067   0.930
  164   1HG   LYS  21          HG2       LYS  21  -3.024  -6.184   0.751
  165   2HG   LYS  21          HG1       LYS  21  -2.678  -6.362  -0.971
  166   1HD   LYS  21          HD2       LYS  21  -1.496  -8.351  -0.648
  167   2HD   LYS  21          HD1       LYS  21  -1.273  -8.045   1.076
  168   1HE   LYS  21          HE2       LYS  21  -2.914  -9.729   0.941
  169   2HE   LYS  21          HE1       LYS  21  -3.793  -8.241   1.289
  170   1HZ   LYS  21          HZ1       LYS  21  -4.959  -9.393  -0.404
  171   2HZ   LYS  21          HZ2       LYS  21  -3.560  -9.622  -1.325
  172   3HZ   LYS  21          HZ3       LYS  21  -4.210  -8.071  -1.147
  173    H    CYS  22           HN       CYS  22  -3.581  -3.735   1.744
  174    HA   CYS  22           HA       CYS  22  -2.605  -3.177   4.365
  175   1HB   CYS  22          HB2       CYS  22  -4.695  -2.198   3.465
  176   2HB   CYS  22          HB1       CYS  22  -5.430  -3.798   3.473
  177    H    ILE  23           HN       ILE  23  -1.661  -4.762   5.498
  178    HA   ILE  23           HA       ILE  23  -3.128  -7.293   5.786
  179    HB   ILE  23           HB       ILE  23  -0.123  -7.053   5.842
  180   1HG1  ILE  23          HG12      ILE  23  -0.904  -6.564   3.589
  181   2HG1  ILE  23          HG11      ILE  23  -0.172  -8.165   3.629
  182   1HG2  ILE  23          HG21      ILE  23  -0.450  -8.988   6.957
  183   2HG2  ILE  23          HG22      ILE  23  -0.648  -9.638   5.330
  184   3HG2  ILE  23          HG23      ILE  23  -2.066  -9.224   6.293
  185   1HD1  ILE  23          HD11      ILE  23  -2.914  -8.511   4.154
  186   2HD1  ILE  23          HD12      ILE  23  -2.006  -8.986   2.719
  187   3HD1  ILE  23          HD13      ILE  23  -2.781  -7.403   2.789
  188    H    ASN  24           HN       ASN  24  -3.296  -8.133   7.826
  189    HA   ASN  24           HA       ASN  24  -3.495  -8.039  10.098
  190   1HB   ASN  24          HB2       ASN  24  -0.616  -7.217   9.745
  191   2HB   ASN  24          HB1       ASN  24  -1.336  -7.609  11.302
  192   1HD2  ASN  24          HD21      ASN  24   0.787  -8.860   9.532
  193   2HD2  ASN  24          HD22      ASN  24   0.339 -10.527   9.461
  194    H    ASN  25           HN       ASN  25  -4.733  -5.960   9.144
  195    HA   ASN  25           HA       ASN  25  -5.396  -3.793   9.423
  196   1HB   ASN  25          HB2       ASN  25  -5.651  -3.113  11.729
  197   2HB   ASN  25          HB1       ASN  25  -5.971  -4.839  11.605
  198   1HD2  ASN  25          HD21      ASN  25  -3.752  -2.405  12.724
  199   2HD2  ASN  25          HD22      ASN  25  -2.843  -3.433  13.774
  200    H    ALA  26           HN       ALA  26  -2.652  -4.137   8.528
  201    HA   ALA  26           HA       ALA  26  -1.682  -1.473   9.226
  202   1HB   ALA  26          HB1       ALA  26   0.656  -2.384   9.436
  203   2HB   ALA  26          HB2       ALA  26  -0.063  -3.992   9.535
  204   3HB   ALA  26          HB3       ALA  26  -0.436  -2.781  10.763
  205    H    CYS  27           HN       CYS  27  -1.022  -0.390   7.484
  206    HA   CYS  27           HA       CYS  27  -1.237  -1.471   4.894
  207   1HB   CYS  27          HB2       CYS  27  -1.519   0.935   5.451
  208   2HB   CYS  27          HB1       CYS  27   0.210   1.045   5.753
  209    H    LYS  28           HN       LYS  28   0.069  -3.096   4.278
  210    HA   LYS  28           HA       LYS  28   2.959  -2.833   4.771
  211   1HB   LYS  28          HB2       LYS  28   1.454  -4.917   5.452
  212   2HB   LYS  28          HB1       LYS  28   1.761  -5.378   3.784
  213   1HG   LYS  28          HG2       LYS  28   3.600  -6.345   4.589
  214   2HG   LYS  28          HG1       LYS  28   4.261  -4.710   4.649
  215   1HD   LYS  28          HD2       LYS  28   3.641  -4.479   6.956
  216   2HD   LYS  28          HD1       LYS  28   2.765  -6.011   6.921
  217   1HE   LYS  28          HE2       LYS  28   4.881  -6.361   7.998
  218   2HE   LYS  28          HE1       LYS  28   4.907  -7.164   6.429
  219   1HZ   LYS  28          HZ1       LYS  28   6.588  -5.093   7.417
  220   2HZ   LYS  28          HZ2       LYS  28   5.861  -4.630   5.961
  221   3HZ   LYS  28          HZ3       LYS  28   6.771  -6.054   6.036
  222    H    CYS  29           HN       CYS  29   4.126  -2.150   3.104
  223    HA   CYS  29           HA       CYS  29   3.360  -3.009   0.403
  224   1HB   CYS  29          HB2       CYS  29   4.129  -0.686  -0.351
  225   2HB   CYS  29          HB1       CYS  29   2.562  -0.797   0.443
  226    H    TYR  30           HN       TYR  30   5.103  -2.826  -1.182
  227    HA   TYR  30           HA       TYR  30   7.758  -3.110   0.057
  228   1HB   TYR  30          HB2       TYR  30   7.324  -4.434  -2.547
  229   2HB   TYR  30          HB1       TYR  30   8.197  -4.999  -1.128
  230    HD1  TYR  30           HD1      TYR  30   4.831  -4.661  -2.626
  231    HD2  TYR  30           HD2      TYR  30   7.176  -6.472   0.427
  232    HE1  TYR  30           HE1      TYR  30   2.959  -6.161  -2.087
  233    HE2  TYR  30           HE2      TYR  30   5.311  -7.978   0.974
  234    HH   TYR  30           HH       TYR  30   3.212  -8.902  -0.447
  235    HA   PRO  31           HA       PRO  31   8.836   0.194  -2.731
  236   1HB   PRO  31          HB2       PRO  31  11.429   0.398  -2.118
  237   2HB   PRO  31          HB1       PRO  31  10.174   0.838  -0.961
  238   1HG   PRO  31          HG2       PRO  31  11.819  -1.647  -1.105
  239   2HG   PRO  31          HG1       PRO  31  11.339  -0.703   0.316
  240   1HD   PRO  31          HD2       PRO  31  10.082  -3.010  -0.534
  241   2HD   PRO  31          HD1       PRO  31   9.329  -1.768   0.483
  242    H    TYR  32           HN       TYR  32  10.959  -2.624  -2.565
  243    HA   TYR  32           HA       TYR  32  12.644  -2.646  -4.525
  244   1HB   TYR  32          HB2       TYR  32  12.428  -4.949  -4.772
  245   2HB   TYR  32          HB1       TYR  32  11.658  -4.660  -3.218
  246    HD1  TYR  32           HD1      TYR  32  11.354  -6.455  -6.142
  247    HD2  TYR  32           HD2      TYR  32   9.015  -4.041  -3.533
  248    HE1  TYR  32           HE1      TYR  32   9.312  -7.548  -6.969
  249    HE2  TYR  32           HE2      TYR  32   6.967  -5.130  -4.352
  250    HH   TYR  32           HH       TYR  32   6.495  -7.557  -5.476
  Start of MODEL   19
    1   1H    ALA   1           HT1      ALA   1  -9.373   7.345   9.011
    2   2H    ALA   1           HT2      ALA   1 -10.926   6.844   9.544
    3   3H    ALA   1           HT3      ALA   1 -10.770   8.199   8.503
    4    HA   ALA   1           HA       ALA   1 -11.538   6.334   7.296
    5   1HB   ALA   1          HB1       ALA   1  -8.649   6.830   6.612
    6   2HB   ALA   1          HB2       ALA   1  -9.939   7.990   6.296
    7   3HB   ALA   1          HB3       ALA   1  -9.964   6.408   5.515
    8    H    VAL   2           HN       VAL   2 -11.358   4.185   6.653
    9    HA   VAL   2           HA       VAL   2  -9.883   2.496   8.517
   10    HB   VAL   2           HB       VAL   2 -11.509   1.233   6.392
   11   1HG1  VAL   2          HG11      VAL   2 -10.432   0.556   8.908
   12   2HG1  VAL   2          HG12      VAL   2 -11.377  -0.458   7.818
   13   3HG1  VAL   2          HG13      VAL   2 -12.187   0.490   9.065
   14   1HG2  VAL   2          HG21      VAL   2 -13.047   2.957   6.743
   15   2HG2  VAL   2          HG22      VAL   2 -12.681   3.060   8.466
   16   3HG2  VAL   2          HG23      VAL   2 -13.588   1.683   7.837
   17    H    CYS   3           HN       CYS   3  -8.958   0.441   7.569
   18    HA   CYS   3           HA       CYS   3  -6.935   1.182   5.671
   19   1HB   CYS   3          HB2       CYS   3  -6.558  -0.333   7.646
   20   2HB   CYS   3          HB1       CYS   3  -7.490  -1.565   6.802
   21    H    VAL   4           HN       VAL   4  -7.173   1.117   3.547
   22    HA   VAL   4           HA       VAL   4  -8.987  -0.898   2.390
   23    HB   VAL   4           HB       VAL   4  -8.402   1.831   1.240
   24   1HG1  VAL   4          HG11      VAL   4  -9.041   0.631  -0.592
   25   2HG1  VAL   4          HG12      VAL   4 -10.631   1.092   0.015
   26   3HG1  VAL   4          HG13      VAL   4  -9.991  -0.516   0.353
   27   1HG2  VAL   4          HG21      VAL   4  -9.676   1.979   3.343
   28   2HG2  VAL   4          HG22      VAL   4 -10.886   0.888   2.667
   29   3HG2  VAL   4          HG23      VAL   4 -10.629   2.476   1.944
   30    H    TYR   5           HN       TYR   5  -8.413  -1.747   0.330
   31    HA   TYR   5           HA       TYR   5  -5.634  -2.263   0.041
   32   1HB   TYR   5          HB2       TYR   5  -7.796  -3.647  -0.661
   33   2HB   TYR   5          HB1       TYR   5  -7.499  -2.835  -2.192
   34    HD1  TYR   5           HD1      TYR   5  -4.802  -2.859  -2.768
   35    HD2  TYR   5           HD2      TYR   5  -6.956  -5.784  -0.552
   36    HE1  TYR   5           HE1      TYR   5  -3.096  -4.536  -3.336
   37    HE2  TYR   5           HE2      TYR   5  -5.255  -7.469  -1.113
   38    HH   TYR   5           HH       TYR   5  -2.248  -6.646  -2.527
   39    H    ARG   6           HN       ARG   6  -7.967  -0.430  -1.911
   40    HA   ARG   6           HA       ARG   6  -6.104   0.412  -3.854
   41   1HB   ARG   6          HB2       ARG   6  -8.766   0.456  -3.747
   42   2HB   ARG   6          HB1       ARG   6  -8.452   2.109  -3.247
   43   1HG   ARG   6          HG2       ARG   6  -8.570   2.465  -5.472
   44   2HG   ARG   6          HG1       ARG   6  -6.863   2.027  -5.381
   45   1HD   ARG   6          HD2       ARG   6  -8.655  -0.267  -5.644
   46   2HD   ARG   6          HD1       ARG   6  -8.731   0.849  -7.006
   47    HE   ARG   6           HE       ARG   6  -6.040   0.282  -6.328
   48   1HH1  ARG   6          HH11      ARG   6  -8.834  -1.113  -7.886
   49   2HH1  ARG   6          HH12      ARG   6  -7.900  -2.146  -8.916
   50   1HH2  ARG   6          HH21      ARG   6  -4.810  -1.075  -7.681
   51   2HH2  ARG   6          HH22      ARG   6  -5.615  -2.124  -8.799
   52    H    THR   7           HN       THR   7  -7.194   1.814  -0.813
   53    HA   THR   7           HA       THR   7  -5.858   4.309  -1.182
   54    HB   THR   7           HB       THR   7  -6.656   3.089   1.457
   55    HG1  THR   7           HG1      THR   7  -8.312   4.605  -0.269
   56   1HG2  THR   7          HG21      THR   7  -6.451   5.934   0.512
   57   2HG2  THR   7          HG22      THR   7  -5.460   5.137   1.735
   58   3HG2  THR   7          HG23      THR   7  -7.171   5.436   2.043
   59    H    CYS   8           HN       CYS   8  -5.111   1.258   0.372
   60    HA   CYS   8           HA       CYS   8  -2.662   2.099   1.557
   61   1HB   CYS   8          HB2       CYS   8  -3.821   0.136   2.399
   62   2HB   CYS   8          HB1       CYS   8  -3.681  -0.658   0.835
   63    H    ASP   9           HN       ASP   9  -3.503   0.455  -1.457
   64    HA   ASP   9           HA       ASP   9  -0.885   0.020  -2.378
   65   1HB   ASP   9          HB2       ASP   9  -2.969  -1.043  -3.294
   66   2HB   ASP   9          HB1       ASP   9  -3.339   0.488  -4.081
   67    H    LYS  10           HN       LYS  10  -3.164   2.687  -2.944
   68    HA   LYS  10           HA       LYS  10  -1.504   4.141  -4.687
   69   1HB   LYS  10          HB2       LYS  10  -4.053   4.476  -3.476
   70   2HB   LYS  10          HB1       LYS  10  -3.132   5.950  -3.232
   71   1HG   LYS  10          HG2       LYS  10  -2.937   6.356  -5.508
   72   2HG   LYS  10          HG1       LYS  10  -3.296   4.681  -5.934
   73   1HD   LYS  10          HD2       LYS  10  -5.577   4.943  -5.549
   74   2HD   LYS  10          HD1       LYS  10  -5.340   6.376  -4.546
   75   1HE   LYS  10          HE2       LYS  10  -6.192   7.215  -6.553
   76   2HE   LYS  10          HE1       LYS  10  -4.455   7.490  -6.671
   77   1HZ   LYS  10          HZ1       LYS  10  -4.246   6.015  -8.340
   78   2HZ   LYS  10          HZ2       LYS  10  -5.888   6.339  -8.586
   79   3HZ   LYS  10          HZ3       LYS  10  -5.418   4.960  -7.726
   80    H    ASP  11           HN       ASP  11  -1.963   4.345  -1.174
   81    HA   ASP  11           HA       ASP  11  -0.303   6.539  -0.694
   82   1HB   ASP  11          HB2       ASP  11  -1.838   4.888   0.844
   83   2HB   ASP  11          HB1       ASP  11  -0.220   4.409   1.325
   84    H    CYS  12           HN       CYS  12   0.392   3.092  -0.877
   85    HA   CYS  12           HA       CYS  12   3.124   3.252  -0.188
   86   1HB   CYS  12          HB2       CYS  12   1.967   1.145  -0.052
   87   2HB   CYS  12          HB1       CYS  12   1.583   1.189  -1.767
   88    H    LYS  13           HN       LYS  13   1.577   2.922  -3.404
   89    HA   LYS  13           HA       LYS  13   3.968   3.107  -4.865
   90   1HB   LYS  13          HB2       LYS  13   2.513   3.661  -6.800
   91   2HB   LYS  13          HB1       LYS  13   1.980   2.241  -5.910
   92   1HG   LYS  13          HG2       LYS  13  -0.001   3.337  -6.264
   93   2HG   LYS  13          HG1       LYS  13   0.448   3.932  -4.666
   94   1HD   LYS  13          HD2       LYS  13   0.289   6.003  -5.458
   95   2HD   LYS  13          HD1       LYS  13   1.678   5.665  -6.492
   96   1HE   LYS  13          HE2       LYS  13   0.277   4.994  -8.293
   97   2HE   LYS  13          HE1       LYS  13  -1.153   4.993  -7.263
   98   1HZ   LYS  13          HZ1       LYS  13  -0.426   7.500  -6.971
   99   2HZ   LYS  13          HZ2       LYS  13  -1.412   6.999  -8.250
  100   3HZ   LYS  13          HZ3       LYS  13   0.243   7.235  -8.502
  101    H    ARG  14           HN       ARG  14   1.825   5.571  -3.591
  102    HA   ARG  14           HA       ARG  14   3.178   7.699  -5.001
  103   1HB   ARG  14          HB2       ARG  14   0.664   7.501  -4.112
  104   2HB   ARG  14          HB1       ARG  14   1.378   8.290  -2.712
  105   1HG   ARG  14          HG2       ARG  14   1.920  10.203  -3.907
  106   2HG   ARG  14          HG1       ARG  14   1.811   9.378  -5.463
  107   1HD   ARG  14          HD2       ARG  14  -0.282  10.092  -5.658
  108   2HD   ARG  14          HD1       ARG  14  -0.716   9.136  -4.242
  109    HE   ARG  14           HE       ARG  14   0.305  11.392  -3.164
  110   1HH1  ARG  14          HH11      ARG  14  -2.146  10.809  -5.579
  111   2HH1  ARG  14          HH12      ARG  14  -3.048  12.234  -5.187
  112   1HH2  ARG  14          HH21      ARG  14  -0.880  13.267  -2.648
  113   2HH2  ARG  14          HH22      ARG  14  -2.330  13.630  -3.524
  114    H    ARG  15           HN       ARG  15   4.101   5.851  -2.481
  115    HA   ARG  15           HA       ARG  15   5.388   8.067  -1.052
  116   1HB   ARG  15          HB2       ARG  15   4.394   5.399  -0.215
  117   2HB   ARG  15          HB1       ARG  15   5.864   5.974   0.561
  118   1HG   ARG  15          HG2       ARG  15   3.307   7.554   0.446
  119   2HG   ARG  15          HG1       ARG  15   3.757   6.497   1.785
  120   1HD   ARG  15          HD2       ARG  15   5.982   7.922   1.688
  121   2HD   ARG  15          HD1       ARG  15   4.908   9.109   0.948
  122    HE   ARG  15           HE       ARG  15   5.016   8.383   3.698
  123   1HH1  ARG  15          HH11      ARG  15   2.837   9.415   1.175
  124   2HH1  ARG  15          HH12      ARG  15   1.710  10.139   2.273
  125   1HH2  ARG  15          HH21      ARG  15   3.536   9.335   5.143
  126   2HH2  ARG  15          HH22      ARG  15   2.107  10.094   4.525
  127    H    GLY  16           HN       GLY  16   6.286   6.981  -3.601
  128   1HA   GLY  16          HA2       GLY  16   8.270   6.432  -4.612
  129   2HA   GLY  16          HA1       GLY  16   9.043   6.811  -3.080
  130    H    TYR  17           HN       TYR  17   6.641   4.298  -3.737
  131    HA   TYR  17           HA       TYR  17   8.712   2.271  -3.232
  132   1HB   TYR  17          HB2       TYR  17   5.932   2.336  -2.043
  133   2HB   TYR  17          HB1       TYR  17   7.054   0.988  -1.901
  134    HD1  TYR  17           HD1      TYR  17   5.780   3.685  -0.184
  135    HD2  TYR  17           HD2      TYR  17   9.511   1.845  -1.068
  136    HE1  TYR  17           HE1      TYR  17   6.757   4.715   1.824
  137    HE2  TYR  17           HE2      TYR  17  10.499   2.868   0.937
  138    HH   TYR  17           HH       TYR  17   9.806   3.792   3.065
  139    H    ARG  18           HN       ARG  18   7.374  -0.018  -3.554
  140    HA   ARG  18           HA       ARG  18   6.620   0.095  -6.369
  141   1HB   ARG  18          HB2       ARG  18   8.346  -1.510  -5.664
  142   2HB   ARG  18          HB1       ARG  18   7.186  -2.285  -4.595
  143   1HG   ARG  18          HG2       ARG  18   5.911  -3.098  -6.405
  144   2HG   ARG  18          HG1       ARG  18   6.756  -2.065  -7.559
  145   1HD   ARG  18          HD2       ARG  18   8.311  -3.618  -7.888
  146   2HD   ARG  18          HD1       ARG  18   8.641  -3.714  -6.158
  147    HE   ARG  18           HE       ARG  18   6.380  -5.164  -6.425
  148   1HH1  ARG  18          HH11      ARG  18   9.457  -5.243  -8.069
  149   2HH1  ARG  18          HH12      ARG  18   9.381  -6.942  -8.394
  150   1HH2  ARG  18          HH21      ARG  18   6.278  -7.398  -6.851
  151   2HH2  ARG  18          HH22      ARG  18   7.576  -8.166  -7.703
  152    H    SER  19           HN       SER  19   5.443  -1.768  -3.554
  153    HA   SER  19           HA       SER  19   2.742  -0.942  -3.930
  154   1HB   SER  19          HB2       SER  19   2.040  -3.444  -4.405
  155   2HB   SER  19          HB1       SER  19   2.461  -2.361  -5.732
  156    HG   SER  19           HG       SER  19   3.497  -4.490  -5.733
  157    H    GLY  20           HN       GLY  20   1.247  -2.027  -2.435
  158   1HA   GLY  20          HA2       GLY  20   2.593  -3.498  -0.273
  159   2HA   GLY  20          HA1       GLY  20   1.712  -2.028   0.112
  160    H    LYS  21           HN       LYS  21   0.453  -3.373   1.533
  161    HA   LYS  21           HA       LYS  21  -2.031  -4.092   0.439
  162   1HB   LYS  21          HB2       LYS  21  -0.481  -6.048  -0.262
  163   2HB   LYS  21          HB1       LYS  21  -0.563  -6.520   1.430
  164   1HG   LYS  21          HG2       LYS  21  -3.127  -5.990   0.051
  165   2HG   LYS  21          HG1       LYS  21  -2.244  -7.448  -0.404
  166   1HD   LYS  21          HD2       LYS  21  -2.653  -8.460   1.568
  167   2HD   LYS  21          HD1       LYS  21  -2.441  -6.970   2.490
  168   1HE   LYS  21          HE2       LYS  21  -4.660  -7.079   2.786
  169   2HE   LYS  21          HE1       LYS  21  -4.750  -6.456   1.140
  170   1HZ   LYS  21          HZ1       LYS  21  -6.072  -8.285   0.966
  171   2HZ   LYS  21          HZ2       LYS  21  -5.221  -9.172   2.127
  172   3HZ   LYS  21          HZ3       LYS  21  -4.587  -8.993   0.570
  173    H    CYS  22           HN       CYS  22  -3.577  -4.330   2.018
  174    HA   CYS  22           HA       CYS  22  -2.831  -3.533   4.662
  175   1HB   CYS  22          HB2       CYS  22  -4.961  -2.864   3.496
  176   2HB   CYS  22          HB1       CYS  22  -5.534  -4.512   3.729
  177    H    ILE  23           HN       ILE  23  -1.460  -5.259   5.323
  178    HA   ILE  23           HA       ILE  23  -2.770  -7.836   5.782
  179    HB   ILE  23           HB       ILE  23  -0.567  -7.844   4.656
  180   1HG1  ILE  23          HG12      ILE  23   0.511  -9.349   6.633
  181   2HG1  ILE  23          HG11      ILE  23  -1.157  -9.253   7.191
  182   1HG2  ILE  23          HG21      ILE  23   0.155  -5.875   6.319
  183   2HG2  ILE  23          HG22      ILE  23   1.315  -6.917   5.495
  184   3HG2  ILE  23          HG23      ILE  23   0.865  -7.248   7.168
  185   1HD1  ILE  23          HD11      ILE  23  -0.055 -10.510   4.725
  186   2HD1  ILE  23          HD12      ILE  23  -1.729  -9.955   4.759
  187   3HD1  ILE  23          HD13      ILE  23  -1.177 -11.164   5.918
  188    H    ASN  24           HN       ASN  24  -3.209  -8.606   7.777
  189    HA   ASN  24           HA       ASN  24  -3.662  -8.558  10.011
  190   1HB   ASN  24          HB2       ASN  24  -0.816  -7.623   9.881
  191   2HB   ASN  24          HB1       ASN  24  -1.657  -7.753  11.421
  192   1HD2  ASN  24          HD21      ASN  24  -0.534  -9.424  12.270
  193   2HD2  ASN  24          HD22      ASN  24  -0.525 -11.019  11.606
  194    H    ASN  25           HN       ASN  25  -4.785  -6.441   8.696
  195    HA   ASN  25           HA       ASN  25  -5.786  -4.428   9.044
  196   1HB   ASN  25          HB2       ASN  25  -5.283  -5.521  11.691
  197   2HB   ASN  25          HB1       ASN  25  -5.286  -3.760  11.705
  198   1HD2  ASN  25          HD21      ASN  25  -7.180  -5.956  12.631
  199   2HD2  ASN  25          HD22      ASN  25  -8.718  -5.452  12.025
  200    H    ALA  26           HN       ALA  26  -2.916  -4.609   8.329
  201    HA   ALA  26           HA       ALA  26  -2.218  -1.838   8.982
  202   1HB   ALA  26          HB1       ALA  26   0.247  -2.887   8.965
  203   2HB   ALA  26          HB2       ALA  26  -0.647  -4.256   9.626
  204   3HB   ALA  26          HB3       ALA  26  -0.707  -2.690  10.435
  205    H    CYS  27           HN       CYS  27  -1.417  -0.696   7.306
  206    HA   CYS  27           HA       CYS  27  -1.487  -1.905   4.697
  207   1HB   CYS  27          HB2       CYS  27  -2.365   0.337   4.972
  208   2HB   CYS  27          HB1       CYS  27  -0.824   0.905   5.603
  209    H    LYS  28           HN       LYS  28   0.228  -3.400   4.762
  210    HA   LYS  28           HA       LYS  28   2.922  -2.496   5.264
  211   1HB   LYS  28          HB2       LYS  28   1.834  -4.876   5.621
  212   2HB   LYS  28          HB1       LYS  28   2.321  -5.111   3.948
  213   1HG   LYS  28          HG2       LYS  28   4.265  -5.788   4.798
  214   2HG   LYS  28          HG1       LYS  28   4.590  -4.075   5.067
  215   1HD   LYS  28          HD2       LYS  28   3.352  -4.431   7.308
  216   2HD   LYS  28          HD1       LYS  28   3.640  -6.147   7.014
  217   1HE   LYS  28          HE2       LYS  28   5.493  -5.573   8.258
  218   2HE   LYS  28          HE1       LYS  28   6.097  -5.383   6.612
  219   1HZ   LYS  28          HZ1       LYS  28   5.052  -2.944   7.193
  220   2HZ   LYS  28          HZ2       LYS  28   6.691  -3.354   7.265
  221   3HZ   LYS  28          HZ3       LYS  28   5.744  -3.412   8.665
  222    H    CYS  29           HN       CYS  29   3.917  -1.272   3.806
  223    HA   CYS  29           HA       CYS  29   3.348  -1.660   0.974
  224   1HB   CYS  29          HB2       CYS  29   3.118   0.591   1.574
  225   2HB   CYS  29          HB1       CYS  29   4.587   0.558   2.520
  226    H    TYR  30           HN       TYR  30   5.090  -1.672  -0.573
  227    HA   TYR  30           HA       TYR  30   7.650  -2.643   0.490
  228   1HB   TYR  30          HB2       TYR  30   6.448  -3.886  -1.967
  229   2HB   TYR  30          HB1       TYR  30   7.713  -4.514  -0.917
  230    HD1  TYR  30           HD1      TYR  30   4.596  -5.249  -1.931
  231    HD2  TYR  30           HD2      TYR  30   6.665  -4.520   1.715
  232    HE1  TYR  30           HE1      TYR  30   2.918  -6.577  -0.720
  233    HE2  TYR  30           HE2      TYR  30   4.994  -5.848   2.936
  234    HH   TYR  30           HH       TYR  30   2.813  -7.889   1.434
  235    HA   PRO  31           HA       PRO  31   9.195   0.391  -2.376
  236   1HB   PRO  31          HB2       PRO  31  11.819  -0.272  -2.278
  237   2HB   PRO  31          HB1       PRO  31  11.002   0.578  -0.961
  238   1HG   PRO  31          HG2       PRO  31  11.655  -2.333  -1.220
  239   2HG   PRO  31          HG1       PRO  31  11.827  -1.269   0.189
  240   1HD   PRO  31          HD2       PRO  31   9.746  -2.978  -0.105
  241   2HD   PRO  31          HD1       PRO  31   9.594  -1.422   0.735
  242    H    TYR  32           HN       TYR  32  11.046   0.278  -4.195
  243    HA   TYR  32           HA       TYR  32  10.246  -1.931  -5.961
  244   1HB   TYR  32          HB2       TYR  32   9.897   0.586  -6.547
  245   2HB   TYR  32          HB1       TYR  32  11.619   0.564  -6.909
  246    HD1  TYR  32           HD1      TYR  32   8.315  -0.331  -8.052
  247    HD2  TYR  32           HD2      TYR  32  12.471  -0.973  -8.698
  248    HE1  TYR  32           HE1      TYR  32   7.823  -1.221 -10.290
  249    HE2  TYR  32           HE2      TYR  32  11.990  -1.865 -10.939
  250    HH   TYR  32           HH       TYR  32   9.824  -3.029 -12.032
  Start of MODEL   20
    1   1H    ALA   1           HT1      ALA   1 -13.740   4.704  10.164
    2   2H    ALA   1           HT2      ALA   1 -13.347   6.213   9.447
    3   3H    ALA   1           HT3      ALA   1 -12.133   5.295  10.239
    4    HA   ALA   1           HA       ALA   1 -13.625   4.278   7.932
    5   1HB   ALA   1          HB1       ALA   1 -12.682   6.187   7.000
    6   2HB   ALA   1          HB2       ALA   1 -11.473   4.944   6.683
    7   3HB   ALA   1          HB3       ALA   1 -11.238   6.085   8.006
    8    H    VAL   2           HN       VAL   2 -12.126   2.732   6.748
    9    HA   VAL   2           HA       VAL   2 -10.527   1.209   8.706
   10    HB   VAL   2           HB       VAL   2 -11.657  -0.273   6.412
   11   1HG1  VAL   2          HG11      VAL   2 -10.440  -0.844   8.871
   12   2HG1  VAL   2          HG12      VAL   2 -11.085  -1.989   7.696
   13   3HG1  VAL   2          HG13      VAL   2 -12.105  -1.407   9.011
   14   1HG2  VAL   2          HG21      VAL   2 -13.624   0.975   6.909
   15   2HG2  VAL   2          HG22      VAL   2 -13.391   0.770   8.645
   16   3HG2  VAL   2          HG23      VAL   2 -13.821  -0.616   7.644
   17    H    CYS   3           HN       CYS   3  -8.991  -0.332   7.603
   18    HA   CYS   3           HA       CYS   3  -7.178   1.149   6.029
   19   1HB   CYS   3          HB2       CYS   3  -6.425  -0.629   7.520
   20   2HB   CYS   3          HB1       CYS   3  -7.298  -1.825   6.570
   21    H    VAL   4           HN       VAL   4  -7.294   1.604   3.943
   22    HA   VAL   4           HA       VAL   4  -8.878  -0.142   2.190
   23    HB   VAL   4           HB       VAL   4  -7.865   2.609   1.494
   24   1HG1  VAL   4          HG11      VAL   4  -8.573   1.229  -0.379
   25   2HG1  VAL   4          HG12      VAL   4  -9.712   2.551  -0.123
   26   3HG1  VAL   4          HG13      VAL   4 -10.119   0.921   0.412
   27   1HG2  VAL   4          HG21      VAL   4 -10.138   1.809   3.208
   28   2HG2  VAL   4          HG22      VAL   4 -10.457   3.060   2.006
   29   3HG2  VAL   4          HG23      VAL   4  -9.185   3.293   3.205
   30    H    TYR   5           HN       TYR   5  -7.952  -1.285   0.607
   31    HA   TYR   5           HA       TYR   5  -5.129  -1.517   0.476
   32   1HB   TYR   5          HB2       TYR   5  -6.622  -3.413   0.075
   33   2HB   TYR   5          HB1       TYR   5  -7.231  -2.617  -1.367
   34    HD1  TYR   5           HD1      TYR   5  -4.104  -3.955   0.135
   35    HD2  TYR   5           HD2      TYR   5  -6.209  -2.988  -3.433
   36    HE1  TYR   5           HE1      TYR   5  -2.329  -5.019  -1.193
   37    HE2  TYR   5           HE2      TYR   5  -4.440  -4.049  -4.771
   38    HH   TYR   5           HH       TYR   5  -2.290  -6.140  -3.651
   39    H    ARG   6           HN       ARG   6  -7.541  -0.152  -1.736
   40    HA   ARG   6           HA       ARG   6  -5.681   0.561  -3.742
   41   1HB   ARG   6          HB2       ARG   6  -8.342   0.357  -3.707
   42   2HB   ARG   6          HB1       ARG   6  -8.195   2.092  -3.480
   43   1HG   ARG   6          HG2       ARG   6  -6.872   2.258  -5.523
   44   2HG   ARG   6          HG1       ARG   6  -7.012   0.514  -5.752
   45   1HD   ARG   6          HD2       ARG   6  -9.478   0.777  -5.836
   46   2HD   ARG   6          HD1       ARG   6  -9.260   2.524  -5.746
   47    HE   ARG   6           HE       ARG   6  -7.731   1.628  -7.879
   48   1HH1  ARG   6          HH11      ARG   6 -11.101   1.722  -6.980
   49   2HH1  ARG   6          HH12      ARG   6 -11.664   1.812  -8.615
   50   1HH2  ARG   6          HH21      ARG   6  -8.469   1.746 -10.030
   51   2HH2  ARG   6          HH22      ARG   6 -10.170   1.825 -10.347
   52    H    THR   7           HN       THR   7  -7.015   2.288  -0.972
   53    HA   THR   7           HA       THR   7  -5.889   4.811  -1.714
   54    HB   THR   7           HB       THR   7  -6.630   4.122   1.107
   55    HG1  THR   7           HG1      THR   7  -8.513   4.692  -0.930
   56   1HG2  THR   7          HG21      THR   7  -5.963   6.368   0.851
   57   2HG2  THR   7          HG22      THR   7  -7.724   6.375   0.949
   58   3HG2  THR   7          HG23      THR   7  -6.927   6.563  -0.613
   59    H    CYS   8           HN       CYS   8  -5.006   2.190   0.464
   60    HA   CYS   8           HA       CYS   8  -2.691   3.487   1.512
   61   1HB   CYS   8          HB2       CYS   8  -3.964   1.525   2.549
   62   2HB   CYS   8          HB1       CYS   8  -3.113   0.502   1.396
   63    H    ASP   9           HN       ASP   9  -3.328   1.367  -1.204
   64    HA   ASP   9           HA       ASP   9  -0.627   0.832  -1.859
   65   1HB   ASP   9          HB2       ASP   9  -2.545  -0.540  -2.646
   66   2HB   ASP   9          HB1       ASP   9  -3.043   0.796  -3.679
   67    H    LYS  10           HN       LYS  10  -3.004   3.149  -3.153
   68    HA   LYS  10           HA       LYS  10  -1.279   4.347  -5.020
   69   1HB   LYS  10          HB2       LYS  10  -3.940   4.723  -4.100
   70   2HB   LYS  10          HB1       LYS  10  -3.133   6.283  -4.090
   71   1HG   LYS  10          HG2       LYS  10  -2.451   5.862  -6.450
   72   2HG   LYS  10          HG1       LYS  10  -3.460   4.415  -6.423
   73   1HD   LYS  10          HD2       LYS  10  -5.432   5.723  -6.034
   74   2HD   LYS  10          HD1       LYS  10  -4.474   7.189  -5.814
   75   1HE   LYS  10          HE2       LYS  10  -4.556   7.598  -7.995
   76   2HE   LYS  10          HE1       LYS  10  -3.821   6.033  -8.339
   77   1HZ   LYS  10          HZ1       LYS  10  -5.965   6.277  -9.429
   78   2HZ   LYS  10          HZ2       LYS  10  -6.723   6.521  -7.937
   79   3HZ   LYS  10          HZ3       LYS  10  -6.012   5.027  -8.289
   80    H    ASP  11           HN       ASP  11  -2.212   5.419  -1.751
   81    HA   ASP  11           HA       ASP  11  -0.617   7.697  -1.636
   82   1HB   ASP  11          HB2       ASP  11  -2.387   6.522   0.045
   83   2HB   ASP  11          HB1       ASP  11  -0.876   6.165   0.866
   84    H    CYS  12           HN       CYS  12   0.104   4.398  -0.532
   85    HA   CYS  12           HA       CYS  12   2.740   4.961   0.307
   86   1HB   CYS  12          HB2       CYS  12   1.272   2.933   0.878
   87   2HB   CYS  12          HB1       CYS  12   1.805   2.268  -0.661
   88    H    LYS  13           HN       LYS  13   1.372   3.911  -2.769
   89    HA   LYS  13           HA       LYS  13   3.754   3.253  -4.086
   90   1HB   LYS  13          HB2       LYS  13   1.005   3.992  -4.906
   91   2HB   LYS  13          HB1       LYS  13   2.256   4.208  -6.122
   92   1HG   LYS  13          HG2       LYS  13   2.737   1.948  -6.221
   93   2HG   LYS  13          HG1       LYS  13   2.038   1.628  -4.632
   94   1HD   LYS  13          HD2       LYS  13   0.333   0.823  -5.891
   95   2HD   LYS  13          HD1       LYS  13  -0.148   2.521  -5.891
   96   1HE   LYS  13          HE2       LYS  13   1.666   1.421  -8.010
   97   2HE   LYS  13          HE1       LYS  13  -0.084   1.247  -8.134
   98   1HZ   LYS  13          HZ1       LYS  13  -0.357   3.422  -8.571
   99   2HZ   LYS  13          HZ2       LYS  13   1.255   3.341  -9.074
  100   3HZ   LYS  13          HZ3       LYS  13   0.881   3.918  -7.529
  101    H    ARG  14           HN       ARG  14   2.087   6.341  -3.692
  102    HA   ARG  14           HA       ARG  14   3.917   7.803  -5.335
  103   1HB   ARG  14          HB2       ARG  14   1.593   8.434  -3.612
  104   2HB   ARG  14          HB1       ARG  14   2.760   9.729  -3.840
  105   1HG   ARG  14          HG2       ARG  14   2.475   8.969  -6.384
  106   2HG   ARG  14          HG1       ARG  14   0.892   8.494  -5.765
  107   1HD   ARG  14          HD2       ARG  14   1.103  10.940  -4.669
  108   2HD   ARG  14          HD1       ARG  14   2.069  11.180  -6.125
  109    HE   ARG  14           HE       ARG  14  -0.178  10.012  -7.068
  110   1HH1  ARG  14          HH11      ARG  14   0.385  12.774  -5.011
  111   2HH1  ARG  14          HH12      ARG  14  -1.039  13.610  -5.532
  112   1HH2  ARG  14          HH21      ARG  14  -2.051  11.110  -7.755
  113   2HH2  ARG  14          HH22      ARG  14  -2.423  12.665  -7.090
  114    H    ARG  15           HN       ARG  15   4.271   6.443  -2.313
  115    HA   ARG  15           HA       ARG  15   6.016   8.545  -1.291
  116   1HB   ARG  15          HB2       ARG  15   4.252   6.966   0.010
  117   2HB   ARG  15          HB1       ARG  15   5.716   6.013   0.211
  118   1HG   ARG  15          HG2       ARG  15   6.669   7.516   1.604
  119   2HG   ARG  15          HG1       ARG  15   5.926   8.900   0.799
  120   1HD   ARG  15          HD2       ARG  15   3.745   8.207   1.804
  121   2HD   ARG  15          HD1       ARG  15   4.621   6.989   2.729
  122    HE   ARG  15           HE       ARG  15   5.668   9.640   3.058
  123   1HH1  ARG  15          HH11      ARG  15   3.265   7.367   4.170
  124   2HH1  ARG  15          HH12      ARG  15   3.101   8.110   5.725
  125   1HH2  ARG  15          HH21      ARG  15   5.454  10.618   5.103
  126   2HH2  ARG  15          HH22      ARG  15   4.344   9.956   6.256
  127    H    GLY  16           HN       GLY  16   6.625   6.733  -3.632
  128   1HA   GLY  16          HA2       GLY  16   8.615   5.960  -4.498
  129   2HA   GLY  16          HA1       GLY  16   9.357   6.256  -2.937
  130    H    TYR  17           HN       TYR  17   6.709   4.133  -4.019
  131    HA   TYR  17           HA       TYR  17   8.277   1.822  -3.130
  132   1HB   TYR  17          HB2       TYR  17   5.446   2.467  -2.296
  133   2HB   TYR  17          HB1       TYR  17   6.174   0.875  -2.109
  134    HD1  TYR  17           HD1      TYR  17   6.337   4.394  -1.006
  135    HD2  TYR  17           HD2      TYR  17   7.716   0.424  -0.344
  136    HE1  TYR  17           HE1      TYR  17   7.286   5.090   1.153
  137    HE2  TYR  17           HE2      TYR  17   8.669   1.109   1.817
  138    HH   TYR  17           HH       TYR  17   8.304   2.904   3.504
  139    H    ARG  18           HN       ARG  18   7.093  -0.272  -3.807
  140    HA   ARG  18           HA       ARG  18   6.219   0.109  -6.582
  141   1HB   ARG  18          HB2       ARG  18   8.213  -1.451  -5.674
  142   2HB   ARG  18          HB1       ARG  18   6.886  -2.603  -5.592
  143   1HG   ARG  18          HG2       ARG  18   6.554  -1.488  -8.074
  144   2HG   ARG  18          HG1       ARG  18   8.309  -1.544  -7.902
  145   1HD   ARG  18          HD2       ARG  18   8.364  -3.832  -7.807
  146   2HD   ARG  18          HD1       ARG  18   6.738  -3.950  -7.134
  147    HE   ARG  18           HE       ARG  18   6.600  -2.956  -9.765
  148   1HH1  ARG  18          HH11      ARG  18   7.289  -5.902  -8.026
  149   2HH1  ARG  18          HH12      ARG  18   6.775  -6.933  -9.318
  150   1HH2  ARG  18          HH21      ARG  18   5.923  -4.311 -11.466
  151   2HH2  ARG  18          HH22      ARG  18   6.000  -6.030 -11.272
  152    H    SER  19           HN       SER  19   5.549  -2.147  -3.890
  153    HA   SER  19           HA       SER  19   2.710  -2.057  -4.664
  154   1HB   SER  19          HB2       SER  19   4.343  -4.509  -3.981
  155   2HB   SER  19          HB1       SER  19   2.581  -4.497  -4.063
  156    HG   SER  19           HG       SER  19   2.797  -4.753  -6.125
  157    H    GLY  20           HN       GLY  20   1.378  -3.234  -2.846
  158   1HA   GLY  20          HA2       GLY  20   2.416  -2.959  -0.178
  159   2HA   GLY  20          HA1       GLY  20   1.298  -1.675  -0.611
  160    H    LYS  21           HN       LYS  21   0.846  -3.481   1.482
  161    HA   LYS  21           HA       LYS  21  -1.709  -4.549   0.645
  162   1HB   LYS  21          HB2       LYS  21   0.626  -6.263   1.174
  163   2HB   LYS  21          HB1       LYS  21  -0.833  -6.729   2.038
  164   1HG   LYS  21          HG2       LYS  21  -2.035  -6.702  -0.157
  165   2HG   LYS  21          HG1       LYS  21  -0.468  -6.473  -0.936
  166   1HD   LYS  21          HD2       LYS  21   0.234  -8.570   0.414
  167   2HD   LYS  21          HD1       LYS  21  -1.501  -8.844   0.576
  168   1HE   LYS  21          HE2       LYS  21  -0.732  -8.206  -2.151
  169   2HE   LYS  21          HE1       LYS  21   0.104  -9.632  -1.538
  170   1HZ   LYS  21          HZ1       LYS  21  -1.890 -10.385  -2.502
  171   2HZ   LYS  21          HZ2       LYS  21  -2.818  -9.190  -1.746
  172   3HZ   LYS  21          HZ3       LYS  21  -2.150 -10.446  -0.831
  173    H    CYS  22           HN       CYS  22  -2.975  -5.371   2.514
  174    HA   CYS  22           HA       CYS  22  -2.151  -4.047   5.015
  175   1HB   CYS  22          HB2       CYS  22  -4.096  -3.004   3.711
  176   2HB   CYS  22          HB1       CYS  22  -5.018  -4.433   4.168
  177    H    ILE  23           HN       ILE  23  -1.735  -5.467   6.565
  178    HA   ILE  23           HA       ILE  23  -3.414  -7.867   6.764
  179    HB   ILE  23           HB       ILE  23  -0.453  -7.844   7.328
  180   1HG1  ILE  23          HG12      ILE  23  -0.910  -7.508   4.918
  181   2HG1  ILE  23          HG11      ILE  23  -0.157  -9.066   5.243
  182   1HG2  ILE  23          HG21      ILE  23  -1.135  -9.632   8.527
  183   2HG2  ILE  23          HG22      ILE  23  -1.107 -10.421   6.950
  184   3HG2  ILE  23          HG23      ILE  23  -2.628  -9.816   7.607
  185   1HD1  ILE  23          HD11      ILE  23  -2.128 -10.234   4.824
  186   2HD1  ILE  23          HD12      ILE  23  -2.087  -8.986   3.579
  187   3HD1  ILE  23          HD13      ILE  23  -3.127  -8.791   4.990
  188    H    ASN  24           HN       ASN  24  -4.328  -8.110   8.692
  189    HA   ASN  24           HA       ASN  24  -4.941  -7.657  10.846
  190   1HB   ASN  24          HB2       ASN  24  -1.968  -7.818  11.314
  191   2HB   ASN  24          HB1       ASN  24  -3.239  -8.111  12.494
  192   1HD2  ASN  24          HD21      ASN  24  -1.038  -9.624  10.708
  193   2HD2  ASN  24          HD22      ASN  24  -1.823 -11.140  10.441
  194    H    ASN  25           HN       ASN  25  -5.220  -5.395   9.734
  195    HA   ASN  25           HA       ASN  25  -5.210  -3.125   9.934
  196   1HB   ASN  25          HB2       ASN  25  -5.441  -4.213  12.489
  197   2HB   ASN  25          HB1       ASN  25  -4.208  -2.968  12.659
  198   1HD2  ASN  25          HD21      ASN  25  -6.680  -2.829  13.903
  199   2HD2  ASN  25          HD22      ASN  25  -7.572  -1.511  13.230
  200    H    ALA  26           HN       ALA  26  -2.668  -4.545   9.215
  201    HA   ALA  26           HA       ALA  26  -0.845  -2.307   9.794
  202   1HB   ALA  26          HB1       ALA  26   0.983  -3.740  10.132
  203   2HB   ALA  26          HB2       ALA  26   0.119  -5.135   9.483
  204   3HB   ALA  26          HB3       ALA  26  -0.336  -4.467  11.051
  205    H    CYS  27           HN       CYS  27  -0.856  -1.245   7.893
  206    HA   CYS  27           HA       CYS  27  -0.850  -2.694   5.385
  207   1HB   CYS  27          HB2       CYS  27  -2.057  -0.433   5.983
  208   2HB   CYS  27          HB1       CYS  27  -0.503   0.270   5.551
  209    H    LYS  28           HN       LYS  28   1.001  -3.534   4.710
  210    HA   LYS  28           HA       LYS  28   3.499  -2.068   5.197
  211   1HB   LYS  28          HB2       LYS  28   2.856  -4.754   5.529
  212   2HB   LYS  28          HB1       LYS  28   3.791  -4.726   4.041
  213   1HG   LYS  28          HG2       LYS  28   5.705  -4.050   5.090
  214   2HG   LYS  28          HG1       LYS  28   4.835  -3.241   6.395
  215   1HD   LYS  28          HD2       LYS  28   4.085  -5.823   6.783
  216   2HD   LYS  28          HD1       LYS  28   5.720  -6.034   6.155
  217   1HE   LYS  28          HE2       LYS  28   5.225  -4.019   8.298
  218   2HE   LYS  28          HE1       LYS  28   5.300  -5.728   8.725
  219   1HZ   LYS  28          HZ1       LYS  28   7.458  -4.675   8.935
  220   2HZ   LYS  28          HZ2       LYS  28   7.421  -4.200   7.313
  221   3HZ   LYS  28          HZ3       LYS  28   7.494  -5.842   7.711
  222    H    CYS  29           HN       CYS  29   5.129  -2.121   3.443
  223    HA   CYS  29           HA       CYS  29   3.892  -2.126   0.776
  224   1HB   CYS  29          HB2       CYS  29   4.924   0.111   2.181
  225   2HB   CYS  29          HB1       CYS  29   5.997  -0.219   0.828
  226    H    TYR  30           HN       TYR  30   5.517  -2.223  -1.001
  227    HA   TYR  30           HA       TYR  30   7.990  -3.597  -0.227
  228   1HB   TYR  30          HB2       TYR  30   6.393  -4.640  -2.541
  229   2HB   TYR  30          HB1       TYR  30   7.625  -5.455  -1.584
  230    HD1  TYR  30           HD1      TYR  30   6.839  -5.383   1.101
  231    HD2  TYR  30           HD2      TYR  30   4.321  -5.610  -2.321
  232    HE1  TYR  30           HE1      TYR  30   5.083  -6.427   2.469
  233    HE2  TYR  30           HE2      TYR  30   2.558  -6.654  -0.962
  234    HH   TYR  30           HH       TYR  30   2.683  -8.125   1.399
  235    HA   PRO  31           HA       PRO  31   9.078  -0.475  -3.358
  236   1HB   PRO  31          HB2       PRO  31  11.625  -0.130  -2.546
  237   2HB   PRO  31          HB1       PRO  31  10.262   0.619  -1.706
  238   1HG   PRO  31          HG2       PRO  31  11.791  -1.858  -1.004
  239   2HG   PRO  31          HG1       PRO  31  11.239  -0.547   0.055
  240   1HD   PRO  31          HD2       PRO  31   9.928  -2.923  -0.184
  241   2HD   PRO  31          HD1       PRO  31   9.110  -1.397   0.206
  242    H    TYR  32           HN       TYR  32  11.487  -0.386  -4.516
  243    HA   TYR  32           HA       TYR  32  11.572  -2.879  -5.994
  244   1HB   TYR  32          HB2       TYR  32  12.091  -0.145  -6.581
  245   2HB   TYR  32          HB1       TYR  32  13.580  -1.038  -6.871
  246    HD1  TYR  32           HD1      TYR  32  10.098  -2.252  -7.325
  247    HD2  TYR  32           HD2      TYR  32  13.707  -1.028  -9.215
  248    HE1  TYR  32           HE1      TYR  32   9.213  -3.008  -9.491
  249    HE2  TYR  32           HE2      TYR  32  12.832  -1.780 -11.386
  250    HH   TYR  32           HH       TYR  32   9.544  -2.645 -11.844