*HEADER    ANTIMICROBIAL PROTEIN                   08-SEP-03   1QXQ              
*TITLE     STRUCTURE OF AN INDOLICIDIN PEPTIDE DERIVATIVE WITH HIGHER            
*TITLE    2 CHARGE                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INDOLICIDIN DERIVATIVE;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CP-11;                                                      
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES;                                                       
*COMPND   7 OTHER_DETAILS: CYSTEINES ARE DISULFIDE-BONDED                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SEQUENCE OCCURS NATURALLY IN BOS TAURUS           
*SOURCE   4 (BOVINE) NEUTROPHILS. THE SEQUENCE IS AMIDATED AT THE C-             
*SOURCE   5 TERMINUS'                                                            
*KEYWDS    EXTENDED BETA STRUCTURE WITH TWO BENDS                                
*EXPDTA    NMR, 12 STRUCTURES                                                    
*AUTHOR    A.ROZEK, J.P.POWERS, C.L.FRIEDRICH, R.E.HANCOCK                       
*REVDAT   1   30-DEC-03 1QXQ    0                                                



assign ( resid   2 and name HN   ) (resid   1 and name HA   ) 2.5 0.5 0.4
assign ( resid   2 and name HN   ) (resid   1 and name HB   ) 3.2 0.6 0.6
assign ( resid   2 and name HN   ) (resid   1 and name HG*  ) 4.2 1.5 1.5
assign ( resid   2 and name HN   ) (resid   2 and name HA   ) 2.8 0.5 0.5
assign ( resid   2 and name HN   ) (resid   3 and name HN   ) 3.0 0.6 0.5
assign ( resid   3 and name HN   ) (resid   2 and name HD1* ) 5.0 2.5 2.5
assign ( resid   3 and name HN   ) (resid   2 and name HA   ) 1.8 0.4 0.4
assign ( resid   3 and name HN   ) (resid   3 and name HA   ) 2.4 0.6 0.5
assign ( resid   3 and name HN   ) (resid   3 and name HG1  ) 2.7 0.5 0.5
assign ( resid   3 and name HN   ) (resid   3 and name HG2  ) 2.7 0.5 0.5
assign ( resid   3 and name HN   ) (resid   4 and name HN   ) 2.4 0.5 0.5
assign ( resid   4 and name HN   ) (resid   3 and name HA   ) 2.1 0.4 0.5
assign ( resid   4 and name HN   ) (resid   4 and name HA   ) 2.5 0.6 0.5
assign ( resid   4 and name HN   ) (resid   4 and name HB1  ) 2.6 0.8 0.8
assign ( resid   4 and name HN   ) (resid   4 and name HB2  ) 2.6 0.8 0.8
assign ( resid   4 and name HN   ) (resid   4 and name HG*  ) 3.2 1.0 1.0
assign ( resid   5 and name HN   ) (resid   4 and name HA   ) 1.9 0.5 0.5
assign ( resid   5 and name HN   ) (resid   4 and name HN   ) 2.7 0.6 0.5
assign ( resid   5 and name HN   ) (resid   4 and name HB1  ) 3.2 1.2 1.2
assign ( resid   5 and name HN   ) (resid   4 and name HB2  ) 3.2 1.2 1.2
assign ( resid   5 and name HN   ) (resid   4 and name HG*  ) 4.0 1.4 1.5
assign ( resid   5 and name HN   ) (resid   5 and name HA   ) 2.6 0.5 0.5
assign ( resid   5 and name HN   ) (resid   5 and name HB*  ) 2.5 0.9 1.0
assign ( resid   5 and name HN   ) (resid   5 and name HD1  ) 3.1 1.0 1.0
assign ( resid   5 and name HN   ) (resid   5 and name HE3  ) 3.7 1.2 1.2
assign ( resid   5 and name HN   ) (resid   6 and name HD1  ) 3.3 0.7 0.7
assign ( resid   5 and name HN   ) (resid   6 and name HD2  ) 3.3 0.7 0.7
assign ( resid   5 and name HD1  ) (resid   4 and name HA   ) 3.6 1.1 1.1
assign ( resid   5 and name HD1  ) (resid   5 and name HA   ) 3.1 1.1 1.1
assign ( resid   5 and name HD1  ) (resid   5 and name HB*  ) 2.8 0.9 1.0
assign ( resid   5 and name HD1  ) (resid   6 and name HD1  ) 4.6 2.0 2.0
assign ( resid   5 and name HE3  ) (resid   5 and name HA   ) 2.7 0.9 0.9
assign ( resid   5 and name HE3  ) (resid   5 and name HB*  ) 2.5 0.9 1.0
assign ( resid   5 and name HE3  ) (resid   6 and name HD1  ) 3.2 1.1 1.1
assign ( resid   5 and name HE3  ) (resid   6 and name HD2  ) 3.2 1.1 1.1
assign ( resid   6 and name HB2  ) (resid   6 and name HB1  ) 1.8 0.1 0.1
assign ( resid   6 and name HD1  ) (resid   5 and name HA   ) 2.4 0.6 0.5
assign ( resid   6 and name HD2  ) (resid   5 and name HA   ) 2.4 0.6 0.5
assign ( resid   6 and name HD2  ) (resid   6 and name HD1  ) 1.8 0.1 0.1
assign ( resid   6 and name HG1  ) (resid   6 and name HG2  ) 1.8 0.1 0.1
assign ( resid   7 and name HN   ) (resid   5 and name HB*  ) 3.3 1.1 1.1
assign ( resid   7 and name HN   ) (resid   6 and name HA   ) 2.3 0.4 0.5
assign ( resid   7 and name HN   ) (resid   6 and name HB1  ) 3.4 1.1 1.1
assign ( resid   7 and name HN   ) (resid   6 and name HB2  ) 3.4 1.1 1.1
assign ( resid   7 and name HN   ) (resid   6 and name HD2  ) 3.6 1.4 1.4
assign ( resid   7 and name HN   ) (resid   6 and name HG2  ) 3.8 1.4 1.5
assign ( resid   7 and name HN   ) (resid   7 and name HA   ) 2.5 0.5 0.5
assign ( resid   7 and name HN   ) (resid   7 and name HB*  ) 2.8 0.9 1.0
assign ( resid   7 and name HD1  ) (resid   6 and name HG2  ) 4.0 1.5 1.5
assign ( resid   7 and name HD1  ) (resid   7 and name HA   ) 3.0 0.9 1.0
assign ( resid   7 and name HD1  ) (resid   7 and name HN   ) 3.1 1.0 1.0
assign ( resid   7 and name HD1  ) (resid   7 and name HB*  ) 2.8 0.9 1.0
assign ( resid   7 and name HE3  ) (resid   7 and name HA   ) 2.8 0.9 1.0
assign ( resid   7 and name HE3  ) (resid   7 and name HB*  ) 2.5 0.9 1.0
assign ( resid   7 and name HE3  ) (resid   9 and name HD1  ) 4.0 1.5 1.5
assign ( resid   7 and name HE3  ) (resid   9 and name HD2  ) 4.2 1.4 1.4
assign ( resid   8 and name HN   ) (resid   7 and name HA   ) 2.1 0.5 0.5
assign ( resid   8 and name HN   ) (resid   7 and name HN   ) 2.5 0.5 0.6
assign ( resid   8 and name HN   ) (resid   7 and name HB*  ) 3.0 1.2 1.2
assign ( resid   8 and name HN   ) (resid   8 and name HA   ) 2.5 0.5 0.4
assign ( resid   8 and name HN   ) (resid   8 and name HB*  ) 2.6 0.9 1.0
assign ( resid   8 and name HN   ) (resid   9 and name HD1  ) 4.4 1.6 1.6
assign ( resid   8 and name HD1  ) (resid   8 and name HA   ) 3.6 1.1 1.1
assign ( resid   8 and name HD1  ) (resid   8 and name HB*  ) 2.8 0.9 1.0
assign ( resid   8 and name HD1  ) (resid   9 and name HD1  ) 4.2 1.5 1.4
assign ( resid   8 and name HD1  ) (resid   9 and name HD2  ) 4.2 1.5 1.4
assign ( resid   8 and name HD1  ) (resid  10 and name HN   ) 3.2 1.0 1.0
assign ( resid   8 and name HD1  ) (resid  11 and name HA   ) 3.6 1.1 1.1
assign ( resid   8 and name HD1  ) (resid  11 and name HB1  ) 4.2 1.5 1.5
assign ( resid   8 and name HD1  ) (resid  11 and name HB2  ) 4.2 1.5 1.5
assign ( resid   8 and name HD1  ) (resid  11 and name HG*  ) 3.4 1.1 1.1
assign ( resid   8 and name HE3  ) (resid   8 and name HA   ) 2.8 0.9 1.0
assign ( resid   8 and name HE3  ) (resid   8 and name HB*  ) 2.7 0.9 0.9
assign ( resid   8 and name HE3  ) (resid   9 and name HD1  ) 3.2 1.0 1.0
assign ( resid   8 and name HE3  ) (resid   9 and name HD2  ) 3.2 1.0 1.0
assign ( resid   9 and name HB2  ) (resid   9 and name HB1  ) 1.8 0.1 0.1
assign ( resid   9 and name HD1  ) (resid   8 and name HA   ) 2.2 0.4 0.5
assign ( resid   9 and name HD2  ) (resid   8 and name HA   ) 2.2 0.4 0.5
assign ( resid   9 and name HD2  ) (resid   9 and name HD1  ) 1.8 0.1 0.1
assign ( resid  10 and name HN   ) (resid   9 and name HA   ) 2.4 0.5 0.5
assign ( resid  10 and name HN   ) (resid   9 and name HB1  ) 3.5 1.1 1.1
assign ( resid  10 and name HN   ) (resid   9 and name HB2  ) 3.5 1.1 1.1
assign ( resid  10 and name HN   ) (resid   9 and name HD2  ) 3.8 1.4 1.5
assign ( resid  10 and name HN   ) (resid   9 and name HG2  ) 4.5 1.7 1.7
assign ( resid  10 and name HN   ) (resid  10 and name HA   ) 2.5 0.5 0.4
assign ( resid  10 and name HN   ) (resid  10 and name HB1  ) 2.5 0.5 0.5
assign ( resid  10 and name HN   ) (resid  10 and name HB2  ) 2.5 0.5 0.5
assign ( resid  10 and name HB2  ) (resid  10 and name HB1  ) 1.8 0.1 0.1
assign ( resid  10 and name HD1  ) (resid  10 and name HA   ) 3.0 0.9 1.0
assign ( resid  10 and name HD1  ) (resid  10 and name HB1  ) 3.0 1.0 1.0
assign ( resid  10 and name HD1  ) (resid  10 and name HB2  ) 3.0 1.0 1.0
assign ( resid  10 and name HD1  ) (resid  11 and name HA   ) 3.9 1.2 1.2
assign ( resid  10 and name HD1  ) (resid  11 and name HG*  ) 3.5 1.1 1.0
assign ( resid  10 and name HE3  ) (resid   9 and name HD2  ) 3.6 1.4 1.4
assign ( resid  10 and name HE3  ) (resid   9 and name HG2  ) 4.2 1.6 1.5
assign ( resid  10 and name HE3  ) (resid  10 and name HA   ) 3.1 1.0 1.0
assign ( resid  10 and name HE3  ) (resid  10 and name HN   ) 3.0 1.0 1.0
assign ( resid  10 and name HE3  ) (resid  10 and name HB1  ) 2.8 0.9 1.0
assign ( resid  10 and name HE3  ) (resid  10 and name HB2  ) 2.8 0.9 1.0
assign ( resid  10 and name HZ3  ) (resid   9 and name HD2  ) 3.8 1.5 1.5
assign ( resid  11 and name HN   ) (resid  10 and name HA   ) 2.6 0.8 0.9
assign ( resid  11 and name HN   ) (resid  10 and name HN   ) 2.6 0.5 0.5
assign ( resid  11 and name HN   ) (resid  10 and name HB1  ) 2.9 0.8 0.8
assign ( resid  11 and name HN   ) (resid  10 and name HB2  ) 2.9 0.8 0.8
assign ( resid  11 and name HN   ) (resid  10 and name HD1  ) 3.6 1.1 1.1
assign ( resid  11 and name HN   ) (resid  11 and name HA   ) 2.5 0.5 0.5
assign ( resid  11 and name HN   ) (resid  11 and name HB1  ) 2.6 0.8 0.8
assign ( resid  11 and name HN   ) (resid  11 and name HB2  ) 2.6 0.8 0.8
assign ( resid  11 and name HN   ) (resid  11 and name HG*  ) 3.0 1.0 1.0
assign ( resid  12 and name HN   ) (resid  11 and name HA   ) 2.1 0.4 0.4
assign ( resid  12 and name HN   ) (resid  11 and name HN   ) 2.7 0.5 0.5
assign ( resid  13 and name HN   ) (resid  12 and name HA   ) 2.2 0.4 0.5
assign ( resid  13 and name HN   ) (resid  13 and name H1   ) 3.1 0.6 0.6
assign ( resid  13 and name H1   ) (resid  13 and name HA   ) 2.8 0.5 0.5


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ILE   1          1HT       ILE   1 -12.185   5.429  -1.465
    2   2H    ILE   1          2HT       ILE   1 -13.247   4.318  -2.189
    3   3H    ILE   1          3HT       ILE   1 -13.301   5.960  -2.627
    4    HA   ILE   1           HA       ILE   1 -12.095   4.277  -4.178
    5    HB   ILE   1           HB       ILE   1 -10.475   6.236  -4.614
    6   1HG1  ILE   1          2HG1      ILE   1 -12.101   7.470  -2.370
    7   2HG1  ILE   1          1HG1      ILE   1 -10.436   6.918  -2.183
    8   1HG2  ILE   1          1HG2      ILE   1 -13.433   6.828  -4.284
    9   2HG2  ILE   1          2HG2      ILE   1 -12.704   6.024  -5.674
   10   3HG2  ILE   1          3HG2      ILE   1 -12.315   7.709  -5.326
   11   1HD1  ILE   1          1HD1      ILE   1  -9.893   9.033  -2.814
   12   2HD1  ILE   1          2HD1      ILE   1 -11.478   9.326  -3.533
   13   3HD1  ILE   1          3HD1      ILE   1 -10.242   8.454  -4.443
   14    H    LEU   2           H        LEU   2  -9.947   3.417  -4.546
   15    HA   LEU   2           HA       LEU   2  -7.857   2.504  -3.909
   16   1HB   LEU   2          2HB       LEU   2  -7.984   5.002  -2.824
   17   2HB   LEU   2          1HB       LEU   2  -7.811   4.026  -1.365
   18    HG   LEU   2           HG       LEU   2  -6.028   3.255  -3.591
   19   1HD1  LEU   2          1HD1      LEU   2  -6.259   5.910  -3.416
   20   2HD1  LEU   2          2HD1      LEU   2  -4.691   5.139  -3.657
   21   3HD1  LEU   2          3HD1      LEU   2  -5.174   5.668  -2.046
   22   1HD2  LEU   2          1HD2      LEU   2  -5.667   3.818  -0.630
   23   2HD2  LEU   2          2HD2      LEU   2  -4.412   3.172  -1.687
   24   3HD2  LEU   2          3HD2      LEU   2  -5.872   2.233  -1.375
   25    H    LYS   3           H        LYS   3  -8.511   0.407  -3.431
   26    HA   LYS   3           HA       LYS   3  -8.521  -0.403  -0.642
   27   1HB   LYS   3          2HB       LYS   3 -10.927  -1.296  -0.830
   28   2HB   LYS   3          1HB       LYS   3 -10.752   0.449  -0.649
   29   1HG   LYS   3          2HG       LYS   3 -11.165   0.839  -2.954
   30   2HG   LYS   3          1HG       LYS   3 -10.913  -0.857  -3.369
   31   1HD   LYS   3          2HD       LYS   3 -13.243  -0.722  -3.376
   32   2HD   LYS   3          1HD       LYS   3 -12.928  -1.264  -1.726
   33   1HE   LYS   3          2HE       LYS   3 -12.889   1.681  -2.110
   34   2HE   LYS   3          1HE       LYS   3 -14.474   0.902  -2.292
   35   1HZ   LYS   3          1HZ       LYS   3 -13.501   1.510   0.075
   36   2HZ   LYS   3          2HZ       LYS   3 -12.760  -0.008  -0.106
   37   3HZ   LYS   3          3HZ       LYS   3 -14.452   0.129  -0.171
   38    H    LYS   4           H        LYS   4  -6.791  -1.526  -2.118
   39    HA   LYS   4           HA       LYS   4  -7.948  -4.118  -3.064
   40   1HB   LYS   4          2HB       LYS   4  -6.535  -2.018  -4.497
   41   2HB   LYS   4          1HB       LYS   4  -5.707  -3.564  -4.644
   42   1HG   LYS   4          2HG       LYS   4  -8.010  -4.558  -5.205
   43   2HG   LYS   4          1HG       LYS   4  -8.550  -2.891  -5.415
   44   1HD   LYS   4          2HD       LYS   4  -7.333  -2.594  -7.333
   45   2HD   LYS   4          1HD       LYS   4  -6.019  -3.636  -6.784
   46   1HE   LYS   4          2HE       LYS   4  -8.312  -5.300  -7.059
   47   2HE   LYS   4          1HE       LYS   4  -8.198  -4.315  -8.531
   48   1HZ   LYS   4          1HZ       LYS   4  -6.755  -6.142  -8.856
   49   2HZ   LYS   4          2HZ       LYS   4  -6.085  -5.995  -7.301
   50   3HZ   LYS   4          3HZ       LYS   4  -5.752  -4.824  -8.486
   51    H    TRP   5           H        TRP   5  -7.154  -4.400  -0.712
   52    HA   TRP   5           HA       TRP   5  -5.580  -5.351   0.781
   53   1HB   TRP   5          2HB       TRP   5  -5.016  -6.338  -1.978
   54   2HB   TRP   5          1HB       TRP   5  -3.816  -6.698  -0.737
   55    HD1  TRP   5           HD       TRP   5  -6.902  -8.026  -2.146
   56    HE1  TRP   5           1HE      TRP   5  -7.976  -9.764  -0.573
   57    HE3  TRP   5           3HE      TRP   5  -4.257  -7.101   2.117
   58    HZ2  TRP   5           2HZ      TRP   5  -7.740 -10.647   2.140
   59    HZ3  TRP   5           3HZ      TRP   5  -4.698  -8.402   4.182
   60    HH2  TRP   5           HH       TRP   5  -6.436 -10.172   4.198
   61    HA   PRO   6           HA       PRO   6  -2.578  -1.982   0.331
   62   1HB   PRO   6          2HB       PRO   6  -2.269  -1.592   3.020
   63   2HB   PRO   6          1HB       PRO   6  -3.602  -0.889   2.085
   64   1HG   PRO   6          2HG       PRO   6  -3.589  -3.272   3.862
   65   2HG   PRO   6          1HG       PRO   6  -4.845  -2.046   3.626
   66   1HD   PRO   6          2HD       PRO   6  -4.915  -4.542   2.501
   67   2HD   PRO   6          1HD       PRO   6  -5.734  -3.119   1.817
   68    H    TRP   7           H        TRP   7  -1.121  -3.728  -0.459
   69    HA   TRP   7           HA       TRP   7   0.679  -4.774   1.703
   70   1HB   TRP   7          2HB       TRP   7  -0.766  -6.016  -0.467
   71   2HB   TRP   7          1HB       TRP   7   0.965  -6.276  -0.675
   72    HD1  TRP   7           HD       TRP   7  -1.967  -7.241   1.483
   73    HE1  TRP   7           1HE      TRP   7  -1.216  -8.991   3.221
   74    HE3  TRP   7           3HE      TRP   7   3.091  -7.048   0.805
   75    HZ2  TRP   7           2HZ      TRP   7   1.209 -10.155   4.195
   76    HZ3  TRP   7           3HZ      TRP   7   4.596  -8.485   2.149
   77    HH2  TRP   7           HH       TRP   7   3.662 -10.037   3.842
   78    H    TRP   8           H        TRP   8   1.291  -2.306   0.896
   79    HA   TRP   8           HA       TRP   8   3.383  -2.588  -1.217
   80   1HB   TRP   8          2HB       TRP   8   1.342  -0.949  -1.314
   81   2HB   TRP   8          1HB       TRP   8   2.277   0.004  -0.164
   82    HD1  TRP   8           HD       TRP   8   4.061   1.539  -1.134
   83    HE1  TRP   8           1HE      TRP   8   5.180   1.827  -3.437
   84    HE3  TRP   8           3HE      TRP   8   2.100  -2.493  -3.574
   85    HZ2  TRP   8           2HZ      TRP   8   5.238   0.517  -5.980
   86    HZ3  TRP   8           3HZ      TRP   8   2.703  -2.951  -5.934
   87    HH2  TRP   8           HH       TRP   8   4.268  -1.452  -7.140
   88    HA   PRO   9           HA       PRO   9   5.961  -1.956   2.405
   89   1HB   PRO   9          2HB       PRO   9   8.150  -3.222   1.379
   90   2HB   PRO   9          1HB       PRO   9   6.776  -4.089   2.084
   91   1HG   PRO   9          2HG       PRO   9   7.568  -3.814  -0.727
   92   2HG   PRO   9          1HG       PRO   9   6.580  -5.054   0.052
   93   1HD   PRO   9          2HD       PRO   9   5.689  -2.835  -1.498
   94   2HD   PRO   9          1HD       PRO   9   4.693  -4.029  -0.640
   95    H    TRP  10           H        TRP  10   5.603  -0.003   0.181
   96    HA   TRP  10           HA       TRP  10   8.382   1.018  -0.120
   97   1HB   TRP  10          2HB       TRP  10   6.265   0.563  -1.890
   98   2HB   TRP  10          1HB       TRP  10   6.309   2.307  -1.690
   99    HD1  TRP  10           HD       TRP  10   8.938   3.377  -1.928
  100    HE1  TRP  10           1HE      TRP  10  10.698   2.750  -3.708
  101    HE3  TRP  10           3HE      TRP  10   7.093  -1.116  -3.401
  102    HZ2  TRP  10           2HZ      TRP  10  11.243   0.600  -5.531
  103    HZ3  TRP  10           3HZ      TRP  10   8.236  -2.451  -5.162
  104    HH2  TRP  10           HH       TRP  10  10.310  -1.594  -6.226
  105    H    ARG  11           H        ARG  11   5.124   2.464   0.025
  106    HA   ARG  11           HA       ARG  11   6.161   4.426   2.011
  107   1HB   ARG  11          2HB       ARG  11   4.316   5.860   0.751
  108   2HB   ARG  11          1HB       ARG  11   5.940   5.720   0.088
  109   1HG   ARG  11          2HG       ARG  11   5.262   4.269  -1.599
  110   2HG   ARG  11          1HG       ARG  11   3.881   3.675  -0.675
  111   1HD   ARG  11          2HD       ARG  11   3.225   6.324  -0.937
  112   2HD   ARG  11          1HD       ARG  11   4.058   6.012  -2.474
  113    HE   ARG  11           HE       ARG  11   2.527   3.908  -2.561
  114   1HH1  ARG  11          1HH1      ARG  11   1.211   4.990   0.052
  115   2HH1  ARG  11          2HH1      ARG  11  -0.262   5.626  -0.600
  116   1HH2  ARG  11          1HH2      ARG  11   0.845   5.548  -3.885
  117   2HH2  ARG  11          2HH2      ARG  11  -0.469   5.943  -2.829
  118    H    ARG  12           H        ARG  12   5.120   2.434   3.263
  119    HA   ARG  12           HA       ARG  12   2.249   2.214   3.382
  120   1HB   ARG  12          2HB       ARG  12   4.496   0.932   4.400
  121   2HB   ARG  12          1HB       ARG  12   3.731   1.613   5.837
  122   1HG   ARG  12          2HG       ARG  12   1.529   0.643   4.840
  123   2HG   ARG  12          1HG       ARG  12   2.601  -0.353   3.856
  124   1HD   ARG  12          2HD       ARG  12   3.764  -0.758   6.253
  125   2HD   ARG  12          1HD       ARG  12   2.100  -0.456   6.792
  126    HE   ARG  12           HE       ARG  12   2.962  -2.671   5.025
  127   1HH1  ARG  12          1HH1      ARG  12   0.890  -1.779   7.460
  128   2HH1  ARG  12          2HH1      ARG  12  -0.516  -2.554   6.813
  129   1HH2  ARG  12          1HH2      ARG  12   0.959  -3.270   3.757
  130   2HH2  ARG  12          2HH2      ARG  12  -0.477  -3.398   4.715
  131    H    LYS  13           H        LYS  13   1.540   4.475   3.526
  132    HA   LYS  13           HA       LYS  13   0.997   6.474   4.684
  133   1HB   LYS  13          2HB       LYS  13   0.501   4.069   6.227
  134   2HB   LYS  13          1HB       LYS  13   0.814   5.433   7.298
  135   1HG   LYS  13          2HG       LYS  13  -1.205   6.320   6.849
  136   2HG   LYS  13          1HG       LYS  13  -0.886   6.264   5.116
  137   1HD   LYS  13          2HD       LYS  13  -2.743   4.847   5.330
  138   2HD   LYS  13          1HD       LYS  13  -1.393   3.711   5.359
  139   1HE   LYS  13          2HE       LYS  13  -1.864   4.666   8.039
  140   2HE   LYS  13          1HE       LYS  13  -3.381   4.045   7.356
  141   1HZ   LYS  13          1HZ       LYS  13  -2.310   2.140   8.116
  142   2HZ   LYS  13          2HZ       LYS  13  -0.777   2.671   7.614
  143   3HZ   LYS  13          3HZ       LYS  13  -1.921   2.162   6.466
  144   1HN   NH2  14          1HN       NH2  14   3.867   6.197   4.377
  145   2HN   NH2  14          2HN       NH2  14   4.612   6.844   5.760
  Start of MODEL    2
    1   1H    ILE   1          1HT       ILE   1  -7.853   6.050  -7.916
    2   2H    ILE   1          2HT       ILE   1  -7.858   5.381  -9.478
    3   3H    ILE   1          3HT       ILE   1  -6.514   5.162  -8.460
    4    HA   ILE   1           HA       ILE   1  -9.130   4.199  -7.528
    5    HB   ILE   1           HB       ILE   1  -8.625   2.091  -8.841
    6   1HG1  ILE   1          2HG1      ILE   1  -6.939   3.701 -10.694
    7   2HG1  ILE   1          1HG1      ILE   1  -6.167   3.153  -9.204
    8   1HG2  ILE   1          1HG2      ILE   1  -9.882   2.842 -10.617
    9   2HG2  ILE   1          2HG2      ILE   1  -8.884   4.277 -10.852
   10   3HG2  ILE   1          3HG2      ILE   1 -10.077   4.236  -9.553
   11   1HD1  ILE   1          1HD1      ILE   1  -6.753   0.843  -9.691
   12   2HD1  ILE   1          2HD1      ILE   1  -5.922   1.523 -11.090
   13   3HD1  ILE   1          3HD1      ILE   1  -7.677   1.340 -11.109
   14    H    LEU   2           H        LEU   2  -8.757   2.445  -6.013
   15    HA   LEU   2           HA       LEU   2  -6.183   1.331  -5.423
   16   1HB   LEU   2          2HB       LEU   2  -5.611   3.628  -4.866
   17   2HB   LEU   2          1HB       LEU   2  -7.053   3.784  -3.862
   18    HG   LEU   2           HG       LEU   2  -6.085   1.767  -2.541
   19   1HD1  LEU   2          1HD1      LEU   2  -3.372   2.482  -2.915
   20   2HD1  LEU   2          2HD1      LEU   2  -4.037   2.218  -4.526
   21   3HD1  LEU   2          3HD1      LEU   2  -4.136   0.943  -3.312
   22   1HD2  LEU   2          1HD2      LEU   2  -5.218   3.270  -1.003
   23   2HD2  LEU   2          2HD2      LEU   2  -6.107   4.383  -2.042
   24   3HD2  LEU   2          3HD2      LEU   2  -4.363   4.199  -2.236
   25    H    LYS   3           H        LYS   3  -7.297  -0.567  -4.952
   26    HA   LYS   3           HA       LYS   3  -8.491  -0.810  -2.310
   27   1HB   LYS   3          2HB       LYS   3 -10.740  -1.539  -3.333
   28   2HB   LYS   3          1HB       LYS   3 -10.392   0.191  -3.347
   29   1HG   LYS   3          2HG       LYS   3  -9.515  -0.048  -5.674
   30   2HG   LYS   3          1HG       LYS   3 -10.011  -1.741  -5.653
   31   1HD   LYS   3          2HD       LYS   3 -12.199  -0.082  -4.770
   32   2HD   LYS   3          1HD       LYS   3 -11.601   0.501  -6.325
   33   1HE   LYS   3          2HE       LYS   3 -13.290  -1.202  -6.758
   34   2HE   LYS   3          1HE       LYS   3 -11.707  -1.901  -7.154
   35   1HZ   LYS   3          1HZ       LYS   3 -13.311  -2.283  -4.694
   36   2HZ   LYS   3          2HZ       LYS   3 -11.647  -2.621  -4.740
   37   3HZ   LYS   3          3HZ       LYS   3 -12.717  -3.468  -5.752
   38    H    LYS   4           H        LYS   4  -6.436  -2.275  -2.989
   39    HA   LYS   4           HA       LYS   4  -7.545  -4.979  -3.496
   40   1HB   LYS   4          2HB       LYS   4  -6.921  -4.355  -5.668
   41   2HB   LYS   4          1HB       LYS   4  -5.504  -3.474  -5.111
   42   1HG   LYS   4          2HG       LYS   4  -4.211  -5.325  -5.150
   43   2HG   LYS   4          1HG       LYS   4  -5.446  -6.294  -4.346
   44   1HD   LYS   4          2HD       LYS   4  -5.292  -7.299  -6.466
   45   2HD   LYS   4          1HD       LYS   4  -6.673  -6.216  -6.642
   46   1HE   LYS   4          2HE       LYS   4  -5.506  -5.538  -8.514
   47   2HE   LYS   4          1HE       LYS   4  -4.653  -4.525  -7.332
   48   1HZ   LYS   4          1HZ       LYS   4  -3.211  -6.555  -6.937
   49   2HZ   LYS   4          2HZ       LYS   4  -2.973  -5.735  -8.407
   50   3HZ   LYS   4          3HZ       LYS   4  -3.862  -7.182  -8.373
   51    H    TRP   5           H        TRP   5  -7.014  -4.854  -1.138
   52    HA   TRP   5           HA       TRP   5  -5.627  -5.425   0.695
   53   1HB   TRP   5          2HB       TRP   5  -4.637  -6.827  -1.744
   54   2HB   TRP   5          1HB       TRP   5  -3.602  -6.878  -0.317
   55    HD1  TRP   5           HD       TRP   5  -6.427  -8.626  -1.836
   56    HE1  TRP   5           1HE      TRP   5  -7.607 -10.149  -0.123
   57    HE3  TRP   5           3HE      TRP   5  -4.368  -6.850   2.480
   58    HZ2  TRP   5           2HZ      TRP   5  -7.667 -10.560   2.708
   59    HZ3  TRP   5           3HZ      TRP   5  -5.001  -7.823   4.671
   60    HH2  TRP   5           HH       TRP   5  -6.647  -9.673   4.791
   61    HA   PRO   6           HA       PRO   6  -2.746  -1.986   0.151
   62   1HB   PRO   6          2HB       PRO   6  -2.687  -1.322   2.804
   63   2HB   PRO   6          1HB       PRO   6  -3.976  -0.800   1.702
   64   1HG   PRO   6          2HG       PRO   6  -3.968  -3.008   3.697
   65   2HG   PRO   6          1HG       PRO   6  -5.267  -1.885   3.259
   66   1HD   PRO   6          2HD       PRO   6  -5.129  -4.465   2.370
   67   2HD   PRO   6          1HD       PRO   6  -5.943  -3.156   1.482
   68    H    TRP   7           H        TRP   7  -1.118  -3.687  -0.345
   69    HA   TRP   7           HA       TRP   7   0.578  -4.343   2.042
   70   1HB   TRP   7          2HB       TRP   7  -0.694  -5.978   0.017
   71   2HB   TRP   7          1HB       TRP   7   1.056  -6.211  -0.003
   72    HD1  TRP   7           HD       TRP   7  -2.029  -6.908   2.034
   73    HE1  TRP   7           1HE      TRP   7  -1.397  -8.300   4.111
   74    HE3  TRP   7           3HE      TRP   7   3.063  -6.620   1.773
   75    HZ2  TRP   7           2HZ      TRP   7   0.958  -9.175   5.479
   76    HZ3  TRP   7           3HZ      TRP   7   4.474  -7.740   3.474
   77    HH2  TRP   7           HH       TRP   7   3.430  -9.015   5.325
   78    H    TRP   8           H        TRP   8   1.188  -2.022   0.904
   79    HA   TRP   8           HA       TRP   8   3.269  -2.514  -1.167
   80   1HB   TRP   8          2HB       TRP   8   1.306  -0.784  -1.275
   81   2HB   TRP   8          1HB       TRP   8   2.320   0.169  -0.190
   82    HD1  TRP   8           HD       TRP   8   4.144   1.579  -1.277
   83    HE1  TRP   8           1HE      TRP   8   5.208   1.713  -3.621
   84    HE3  TRP   8           3HE      TRP   8   1.926  -2.455  -3.483
   85    HZ2  TRP   8           2HZ      TRP   8   5.128   0.294  -6.105
   86    HZ3  TRP   8           3HZ      TRP   8   2.437  -3.042  -5.837
   87    HH2  TRP   8           HH       TRP   8   4.034  -1.674  -7.150
   88    HA   PRO   9           HA       PRO   9   5.996  -1.868   2.336
   89   1HB   PRO   9          2HB       PRO   9   8.123  -3.196   1.257
   90   2HB   PRO   9          1HB       PRO   9   6.756  -4.023   2.026
   91   1HG   PRO   9          2HG       PRO   9   7.447  -3.799  -0.819
   92   2HG   PRO   9          1HG       PRO   9   6.479  -5.019   0.017
   93   1HD   PRO   9          2HD       PRO   9   5.540  -2.831  -1.535
   94   2HD   PRO   9          1HD       PRO   9   4.572  -3.981  -0.590
   95    H    TRP  10           H        TRP  10   5.622  -0.008  -0.012
   96    HA   TRP  10           HA       TRP  10   8.402   0.996  -0.350
   97   1HB   TRP  10          2HB       TRP  10   6.289   0.494  -2.096
   98   2HB   TRP  10          1HB       TRP  10   6.290   2.243  -1.922
   99    HD1  TRP  10           HD       TRP  10   8.874   3.381  -2.199
  100    HE1  TRP  10           1HE      TRP  10  10.646   2.775  -3.978
  101    HE3  TRP  10           3HE      TRP  10   7.159  -1.193  -3.574
  102    HZ2  TRP  10           2HZ      TRP  10  11.247   0.604  -5.760
  103    HZ3  TRP  10           3HZ      TRP  10   8.335  -2.528  -5.314
  104    HH2  TRP  10           HH       TRP  10  10.376  -1.631  -6.406
  105    H    ARG  11           H        ARG  11   5.089   2.107   0.328
  106    HA   ARG  11           HA       ARG  11   6.257   4.488   1.718
  107   1HB   ARG  11          2HB       ARG  11   4.116   4.087  -0.283
  108   2HB   ARG  11          1HB       ARG  11   3.695   5.178   1.035
  109   1HG   ARG  11          2HG       ARG  11   6.378   5.529  -0.214
  110   2HG   ARG  11          1HG       ARG  11   4.977   6.035  -1.159
  111   1HD   ARG  11          2HD       ARG  11   5.085   6.874   1.717
  112   2HD   ARG  11          1HD       ARG  11   6.126   7.722   0.556
  113    HE   ARG  11           HE       ARG  11   3.153   7.505   0.303
  114   1HH1  ARG  11          1HH2      ARG  11   4.884   7.932  -2.203
  115   2HH1  ARG  11          2HH2      ARG  11   4.797   9.654  -2.361
  116   1HH2  ARG  11          1HH1      ARG  11   3.604  10.159   0.855
  117   2HH2  ARG  11          2HH1      ARG  11   4.073  10.916  -0.632
  118    H    ARG  12           H        ARG  12   6.140   2.492   3.372
  119    HA   ARG  12           HA       ARG  12   3.452   2.231   4.605
  120   1HB   ARG  12          2HB       ARG  12   4.675   0.559   6.006
  121   2HB   ARG  12          1HB       ARG  12   4.868   0.255   4.280
  122   1HG   ARG  12          2HG       ARG  12   7.092   0.740   4.312
  123   2HG   ARG  12          1HG       ARG  12   6.884   2.069   5.452
  124   1HD   ARG  12          2HD       ARG  12   7.213   0.721   7.282
  125   2HD   ARG  12          1HD       ARG  12   6.390  -0.662   6.532
  126    HE   ARG  12           HE       ARG  12   9.179   0.194   5.852
  127   1HH1  ARG  12          1HH1      ARG  12   8.582  -2.279   7.513
  128   2HH1  ARG  12          2HH1      ARG  12   8.685  -3.527   6.316
  129   1HH2  ARG  12          1HH2      ARG  12   8.466  -1.338   3.635
  130   2HH2  ARG  12          2HH2      ARG  12   8.620  -2.994   4.120
  131    H    LYS  13           H        LYS  13   2.984   3.022   6.694
  132    HA   LYS  13           HA       LYS  13   3.187   4.441   8.574
  133   1HB   LYS  13          2HB       LYS  13   5.226   2.766   8.643
  134   2HB   LYS  13          1HB       LYS  13   6.166   4.208   8.260
  135   1HG   LYS  13          2HG       LYS  13   5.658   5.244  10.274
  136   2HG   LYS  13          1HG       LYS  13   4.145   4.357  10.467
  137   1HD   LYS  13          2HD       LYS  13   6.597   2.695  10.437
  138   2HD   LYS  13          1HD       LYS  13   6.419   3.758  11.834
  139   1HE   LYS  13          2HE       LYS  13   4.328   2.774  12.448
  140   2HE   LYS  13          1HE       LYS  13   4.179   1.948  10.883
  141   1HZ   LYS  13          1HZ       LYS  13   6.316   0.816  11.421
  142   2HZ   LYS  13          2HZ       LYS  13   5.026   0.372  12.433
  143   3HZ   LYS  13          3HZ       LYS  13   6.212   1.453  12.989
  144   1HN   NH2  14          1HN       NH2  14   2.790   5.890   6.218
  145   2HN   NH2  14          2HN       NH2  14   3.774   7.273   6.198
  Start of MODEL    3
    1   1H    ILE   1          1HT       ILE   1 -11.528   7.464   1.291
    2   2H    ILE   1          2HT       ILE   1 -11.783   8.574   0.030
    3   3H    ILE   1          3HT       ILE   1 -10.210   8.277   0.601
    4    HA   ILE   1           HA       ILE   1 -11.805   6.058  -0.517
    5    HB   ILE   1           HB       ILE   1 -10.664   6.763  -2.712
    6   1HG1  ILE   1          2HG1      ILE   1 -10.545   9.445  -1.307
    7   2HG1  ILE   1          1HG1      ILE   1  -9.137   8.395  -1.481
    8   1HG2  ILE   1          1HG2      ILE   1 -13.060   7.757  -1.402
    9   2HG2  ILE   1          2HG2      ILE   1 -12.820   7.302  -3.089
   10   3HG2  ILE   1          3HG2      ILE   1 -12.431   8.937  -2.551
   11   1HD1  ILE   1          1HD1      ILE   1  -8.995   8.727  -3.757
   12   2HD1  ILE   1          2HD1      ILE   1  -9.729  10.266  -3.302
   13   3HD1  ILE   1          3HD1      ILE   1 -10.733   8.962  -3.937
   14    H    LEU   2           H        LEU   2 -10.559   4.302  -0.022
   15    HA   LEU   2           HA       LEU   2  -7.866   3.934  -0.797
   16   1HB   LEU   2          2HB       LEU   2  -8.246   5.644   1.483
   17   2HB   LEU   2          1HB       LEU   2  -7.430   4.171   2.010
   18    HG   LEU   2           HG       LEU   2  -6.565   6.007  -0.241
   19   1HD1  LEU   2          1HD1      LEU   2  -5.890   5.737   2.599
   20   2HD1  LEU   2          2HD1      LEU   2  -5.546   7.060   1.485
   21   3HD1  LEU   2          3HD1      LEU   2  -4.478   5.657   1.546
   22   1HD2  LEU   2          1HD2      LEU   2  -5.230   4.357  -1.027
   23   2HD2  LEU   2          2HD2      LEU   2  -6.206   3.247  -0.063
   24   3HD2  LEU   2          3HD2      LEU   2  -4.710   3.910   0.598
   25    H    LYS   3           H        LYS   3  -8.385   1.782  -1.126
   26    HA   LYS   3           HA       LYS   3  -8.361  -0.033   1.119
   27   1HB   LYS   3          2HB       LYS   3 -10.765  -0.804   0.739
   28   2HB   LYS   3          1HB       LYS   3 -10.593   0.783   1.490
   29   1HG   LYS   3          2HG       LYS   3 -11.207   1.921  -0.454
   30   2HG   LYS   3          1HG       LYS   3 -10.772   0.569  -1.500
   31   1HD   LYS   3          2HD       LYS   3 -13.092   0.401  -1.514
   32   2HD   LYS   3          1HD       LYS   3 -12.686  -0.676  -0.177
   33   1HE   LYS   3          2HE       LYS   3 -13.051   1.199   1.424
   34   2HE   LYS   3          1HE       LYS   3 -13.537   2.233   0.066
   35   1HZ   LYS   3          1HZ       LYS   3 -15.559   1.357   0.525
   36   2HZ   LYS   3          2HZ       LYS   3 -14.924  -0.039   1.254
   37   3HZ   LYS   3          3HZ       LYS   3 -14.994   0.083  -0.440
   38    H    LYS   4           H        LYS   4  -6.692  -0.488  -0.742
   39    HA   LYS   4           HA       LYS   4  -7.925  -2.478  -2.609
   40   1HB   LYS   4          2HB       LYS   4  -6.403  -0.038  -3.090
   41   2HB   LYS   4          1HB       LYS   4  -5.659  -1.435  -3.861
   42   1HG   LYS   4          2HG       LYS   4  -7.731  -1.980  -5.002
   43   2HG   LYS   4          1HG       LYS   4  -8.586  -0.705  -4.135
   44   1HD   LYS   4          2HD       LYS   4  -7.654   0.976  -5.400
   45   2HD   LYS   4          1HD       LYS   4  -6.152   0.088  -5.661
   46   1HE   LYS   4          2HE       LYS   4  -7.291   0.128  -7.786
   47   2HE   LYS   4          1HE       LYS   4  -7.530  -1.506  -7.138
   48   1HZ   LYS   4          1HZ       LYS   4  -9.419   0.757  -7.190
   49   2HZ   LYS   4          2HZ       LYS   4  -9.566  -0.444  -5.996
   50   3HZ   LYS   4          3HZ       LYS   4  -9.679  -0.859  -7.639
   51    H    TRP   5           H        TRP   5  -7.154  -3.671  -0.535
   52    HA   TRP   5           HA       TRP   5  -5.612  -5.158   0.480
   53   1HB   TRP   5          2HB       TRP   5  -5.094  -5.125  -2.476
   54   2HB   TRP   5          1HB       TRP   5  -4.056  -6.100  -1.435
   55    HD1  TRP   5           HD       TRP   5  -7.216  -6.275  -3.266
   56    HE1  TRP   5           1HE      TRP   5  -8.633  -8.281  -2.481
   57    HE3  TRP   5           3HE      TRP   5  -4.724  -7.485   1.019
   58    HZ2  TRP   5           2HZ      TRP   5  -8.699 -10.153  -0.317
   59    HZ3  TRP   5           3HZ      TRP   5  -5.483  -9.382   2.425
   60    HH2  TRP   5           HH       TRP   5  -7.465 -10.716   1.762
   61    HA   PRO   6           HA       PRO   6  -2.346  -2.072   1.085
   62   1HB   PRO   6          2HB       PRO   6  -1.904  -2.727   3.703
   63   2HB   PRO   6          1HB       PRO   6  -3.209  -1.642   3.183
   64   1HG   PRO   6          2HG       PRO   6  -3.330  -4.515   3.944
   65   2HG   PRO   6          1HG       PRO   6  -4.479  -3.211   4.276
   66   1HD   PRO   6          2HD       PRO   6  -4.832  -5.080   2.314
   67   2HD   PRO   6          1HD       PRO   6  -5.526  -3.445   2.257
   68    H    TRP   7           H        TRP   7  -1.053  -3.469  -0.377
   69    HA   TRP   7           HA       TRP   7   0.796  -5.274   1.147
   70   1HB   TRP   7          2HB       TRP   7  -0.934  -5.709  -1.170
   71   2HB   TRP   7          1HB       TRP   7   0.740  -6.171  -1.479
   72    HD1  TRP   7           HD       TRP   7  -2.356  -7.319   0.217
   73    HE1  TRP   7           1HE      TRP   7  -1.890  -9.466   1.569
   74    HE3  TRP   7           3HE      TRP   7   2.749  -7.368   0.062
   75    HZ2  TRP   7           2HZ      TRP   7   0.352 -11.000   2.466
   76    HZ3  TRP   7           3HZ      TRP   7   4.021  -9.183   1.172
   77    HH2  TRP   7           HH       TRP   7   2.831 -10.996   2.372
   78    H    TRP   8           H        TRP   8   1.652  -2.785   1.005
   79    HA   TRP   8           HA       TRP   8   3.701  -2.827  -1.150
   80   1HB   TRP   8          2HB       TRP   8   1.547  -1.382  -1.541
   81   2HB   TRP   8          1HB       TRP   8   2.298  -0.283  -0.383
   82    HD1  TRP   8           HD       TRP   8   4.046   1.322  -1.299
   83    HE1  TRP   8           1HE      TRP   8   5.352   1.551  -3.510
   84    HE3  TRP   8           3HE      TRP   8   2.628  -3.003  -3.607
   85    HZ2  TRP   8           2HZ      TRP   8   5.744   0.088  -5.938
   86    HZ3  TRP   8           3HZ      TRP   8   3.483  -3.563  -5.865
   87    HH2  TRP   8           HH       TRP   8   5.037  -2.025  -7.032
   88    HA   PRO   9           HA       PRO   9   5.824  -1.755   2.662
   89   1HB   PRO   9          2HB       PRO   9   8.167  -2.987   1.989
   90   2HB   PRO   9          1HB       PRO   9   6.766  -3.863   2.632
   91   1HG   PRO   9          2HG       PRO   9   7.843  -3.814  -0.092
   92   2HG   PRO   9          1HG       PRO   9   6.817  -5.017   0.695
   93   1HD   PRO   9          2HD       PRO   9   6.030  -2.980  -1.143
   94   2HD   PRO   9          1HD       PRO   9   4.990  -4.151  -0.308
   95    H    TRP  10           H        TRP  10   5.608  -0.053   0.225
   96    HA   TRP  10           HA       TRP  10   8.349   1.093   0.074
   97   1HB   TRP  10          2HB       TRP  10   6.413   0.382  -1.811
   98   2HB   TRP  10          1HB       TRP  10   6.346   2.137  -1.754
   99    HD1  TRP  10           HD       TRP  10   8.931   3.336  -1.866
  100    HE1  TRP  10           1HE      TRP  10  10.860   2.681  -3.454
  101    HE3  TRP  10           3HE      TRP  10   7.443  -1.352  -3.121
  102    HZ2  TRP  10           2HZ      TRP  10  11.658   0.434  -5.054
  103    HZ3  TRP  10           3HZ      TRP  10   8.792  -2.746  -4.678
  104    HH2  TRP  10           HH       TRP  10  10.896  -1.856  -5.644
  105    H    ARG  11           H        ARG  11   5.016   2.346  -0.127
  106    HA   ARG  11           HA       ARG  11   5.804   4.542   1.724
  107   1HB   ARG  11          2HB       ARG  11   3.980   5.742   0.218
  108   2HB   ARG  11          1HB       ARG  11   5.649   5.636  -0.326
  109   1HG   ARG  11          2HG       ARG  11   5.162   4.008  -1.911
  110   2HG   ARG  11          1HG       ARG  11   3.765   3.408  -1.015
  111   1HD   ARG  11          2HD       ARG  11   2.862   4.579  -2.905
  112   2HD   ARG  11          1HD       ARG  11   2.671   5.692  -1.536
  113    HE   ARG  11           HE       ARG  11   5.046   6.528  -2.335
  114   1HH1  ARG  11          1HH2      ARG  11   4.749   4.822  -4.852
  115   2HH1  ARG  11          2HH2      ARG  11   4.180   6.001  -5.987
  116   1HH2  ARG  11          1HH1      ARG  11   3.316   8.314  -3.552
  117   2HH2  ARG  11          2HH1      ARG  11   3.368   7.978  -5.250
  118    H    ARG  12           H        ARG  12   4.785   2.618   3.094
  119    HA   ARG  12           HA       ARG  12   1.805   2.829   3.122
  120   1HB   ARG  12          2HB       ARG  12   2.075   0.817   4.637
  121   2HB   ARG  12          1HB       ARG  12   2.724   0.589   3.011
  122   1HG   ARG  12          2HG       ARG  12   4.948   0.780   3.733
  123   2HG   ARG  12          1HG       ARG  12   4.494   1.616   5.219
  124   1HD   ARG  12          2HD       ARG  12   3.164  -0.754   5.545
  125   2HD   ARG  12          1HD       ARG  12   4.610  -1.286   4.665
  126    HE   ARG  12           HE       ARG  12   4.798   0.439   7.107
  127   1HH1  ARG  12          1HH2      ARG  12   6.758  -0.972   4.880
  128   2HH1  ARG  12          2HH2      ARG  12   7.651  -1.965   5.984
  129   1HH2  ARG  12          1HH1      ARG  12   5.520  -1.373   8.655
  130   2HH2  ARG  12          2HH1      ARG  12   6.951  -2.192   8.119
  131    H    LYS  13           H        LYS  13   2.334   5.124   4.068
  132    HA   LYS  13           HA       LYS  13   1.982   4.974   6.977
  133   1HB   LYS  13          2HB       LYS  13   4.557   5.012   5.977
  134   2HB   LYS  13          1HB       LYS  13   4.247   6.722   6.282
  135   1HG   LYS  13          2HG       LYS  13   3.206   5.557   8.541
  136   2HG   LYS  13          1HG       LYS  13   4.580   4.506   8.195
  137   1HD   LYS  13          2HD       LYS  13   5.084   7.421   7.953
  138   2HD   LYS  13          1HD       LYS  13   4.813   6.814   9.587
  139   1HE   LYS  13          2HE       LYS  13   6.775   5.624   9.609
  140   2HE   LYS  13          1HE       LYS  13   6.646   5.194   7.892
  141   1HZ   LYS  13          1HZ       LYS  13   6.965   7.685   7.497
  142   2HZ   LYS  13          2HZ       LYS  13   8.335   6.780   7.933
  143   3HZ   LYS  13          3HZ       LYS  13   7.546   7.744   9.089
  144   1HN   NH2  14          1HN       NH2  14   0.104   6.030   5.291
  145   2HN   NH2  14          2HN       NH2  14   0.124   7.728   5.307
  Start of MODEL    4
    1   1H    ILE   1          1HT       ILE   1  -6.642  -4.249  -9.129
    2   2H    ILE   1          2HT       ILE   1  -5.518  -4.665  -7.926
    3   3H    ILE   1          3HT       ILE   1  -5.013  -4.484  -9.537
    4    HA   ILE   1           HA       ILE   1  -4.573  -2.567  -7.865
    5    HB   ILE   1           HB       ILE   1  -4.939  -1.039  -9.860
    6   1HG1  ILE   1          2HG1      ILE   1  -5.852  -3.507 -11.320
    7   2HG1  ILE   1          1HG1      ILE   1  -7.034  -2.484 -10.504
    8   1HG2  ILE   1          1HG2      ILE   1  -3.164  -1.994 -11.028
    9   2HG2  ILE   1          2HG2      ILE   1  -3.782  -3.634 -10.828
   10   3HG2  ILE   1          3HG2      ILE   1  -3.019  -2.807  -9.470
   11   1HD1  ILE   1          1HD1      ILE   1  -5.700  -0.554 -11.773
   12   2HD1  ILE   1          2HD1      ILE   1  -7.001  -1.444 -12.567
   13   3HD1  ILE   1          3HD1      ILE   1  -5.318  -1.878 -12.873
   14    H    LEU   2           H        LEU   2  -5.584  -0.608  -7.084
   15    HA   LEU   2           HA       LEU   2  -7.371   0.707  -6.269
   16   1HB   LEU   2          2HB       LEU   2  -8.125  -0.370  -8.830
   17   2HB   LEU   2          1HB       LEU   2  -9.544  -0.340  -7.780
   18    HG   LEU   2           HG       LEU   2  -7.817   2.074  -7.706
   19   1HD1  LEU   2          1HD1      LEU   2  -9.335   2.791  -9.794
   20   2HD1  LEU   2          2HD1      LEU   2  -9.175   1.074 -10.166
   21   3HD1  LEU   2          3HD1      LEU   2  -7.736   2.080 -10.008
   22   1HD2  LEU   2          1HD2      LEU   2  -9.792   2.159  -6.398
   23   2HD2  LEU   2          2HD2      LEU   2 -10.762   1.408  -7.665
   24   3HD2  LEU   2          3HD2      LEU   2 -10.203   3.070  -7.851
   25    H    LYS   3           H        LYS   3  -7.559  -0.167  -4.203
   26    HA   LYS   3           HA       LYS   3  -8.617  -1.335  -2.441
   27   1HB   LYS   3          2HB       LYS   3 -10.613  -2.111  -4.586
   28   2HB   LYS   3          1HB       LYS   3 -10.910  -1.928  -2.857
   29   1HG   LYS   3          2HG       LYS   3 -10.081   0.528  -3.242
   30   2HG   LYS   3          1HG       LYS   3 -10.471   0.202  -4.931
   31   1HD   LYS   3          2HD       LYS   3 -12.729   0.086  -4.532
   32   2HD   LYS   3          1HD       LYS   3 -12.514  -0.574  -2.911
   33   1HE   LYS   3          2HE       LYS   3 -11.536   2.207  -3.318
   34   2HE   LYS   3          1HE       LYS   3 -13.296   1.978  -3.322
   35   1HZ   LYS   3          1HZ       LYS   3 -12.252   2.273  -1.063
   36   2HZ   LYS   3          2HZ       LYS   3 -11.522   0.755  -1.286
   37   3HZ   LYS   3          3HZ       LYS   3 -13.215   0.887  -1.249
   38    H    LYS   4           H        LYS   4  -6.527  -2.714  -3.222
   39    HA   LYS   4           HA       LYS   4  -7.496  -5.533  -3.450
   40   1HB   LYS   4          2HB       LYS   4  -5.959  -3.926  -5.316
   41   2HB   LYS   4          1HB       LYS   4  -5.067  -5.364  -4.837
   42   1HG   LYS   4          2HG       LYS   4  -7.812  -6.078  -5.296
   43   2HG   LYS   4          1HG       LYS   4  -7.206  -5.197  -6.697
   44   1HD   LYS   4          2HD       LYS   4  -6.193  -7.100  -7.352
   45   2HD   LYS   4          1HD       LYS   4  -5.118  -6.924  -5.965
   46   1HE   LYS   4          2HE       LYS   4  -5.991  -8.983  -5.405
   47   2HE   LYS   4          1HE       LYS   4  -7.311  -7.995  -4.745
   48   1HZ   LYS   4          1HZ       LYS   4  -8.598  -8.293  -6.618
   49   2HZ   LYS   4          2HZ       LYS   4  -7.852  -9.815  -6.489
   50   3HZ   LYS   4          3HZ       LYS   4  -7.276  -8.676  -7.610
   51    H    TRP   5           H        TRP   5  -7.020  -5.039  -1.059
   52    HA   TRP   5           HA       TRP   5  -5.649  -5.395   0.837
   53   1HB   TRP   5          2HB       TRP   5  -4.600  -7.068  -1.409
   54   2HB   TRP   5          1HB       TRP   5  -3.646  -6.984   0.070
   55    HD1  TRP   5           HD       TRP   5  -6.440  -8.818  -1.420
   56    HE1  TRP   5           1HE      TRP   5  -7.736 -10.146   0.371
   57    HE3  TRP   5           3HE      TRP   5  -4.530  -6.688   2.806
   58    HZ2  TRP   5           2HZ      TRP   5  -7.934 -10.286   3.223
   59    HZ3  TRP   5           3HZ      TRP   5  -5.288  -7.435   5.045
   60    HH2  TRP   5           HH       TRP   5  -6.985  -9.230   5.258
   61    HA   PRO   6           HA       PRO   6  -2.753  -2.057  -0.102
   62   1HB   PRO   6          2HB       PRO   6  -2.694  -1.084   2.453
   63   2HB   PRO   6          1HB       PRO   6  -3.980  -0.693   1.296
   64   1HG   PRO   6          2HG       PRO   6  -3.982  -2.649   3.538
   65   2HG   PRO   6          1HG       PRO   6  -5.276  -1.583   2.968
   66   1HD   PRO   6          2HD       PRO   6  -5.143  -4.252   2.390
   67   2HD   PRO   6          1HD       PRO   6  -5.953  -3.056   1.354
   68    H    TRP   7           H        TRP   7  -1.119  -3.795  -0.395
   69    HA   TRP   7           HA       TRP   7   0.530  -4.241   2.072
   70   1HB   TRP   7          2HB       TRP   7  -0.658  -6.012   0.139
   71   2HB   TRP   7          1HB       TRP   7   1.097  -6.171   0.073
   72    HD1  TRP   7           HD       TRP   7  -1.883  -6.671   2.388
   73    HE1  TRP   7           1HE      TRP   7  -1.132  -8.052   4.433
   74    HE3  TRP   7           3HE      TRP   7   3.159  -6.775   1.581
   75    HZ2  TRP   7           2HZ      TRP   7   1.288  -9.064   5.574
   76    HZ3  TRP   7           3HZ      TRP   7   4.661  -7.953   3.160
   77    HH2  TRP   7           HH       TRP   7   3.733  -9.096   5.155
   78    H    TRP   8           H        TRP   8   1.082  -1.956   0.812
   79    HA   TRP   8           HA       TRP   8   3.207  -2.432  -1.204
   80   1HB   TRP   8          2HB       TRP   8   1.260  -0.682  -1.261
   81   2HB   TRP   8          1HB       TRP   8   2.283   0.235  -0.155
   82    HD1  TRP   8           HD       TRP   8   4.117   1.659  -1.205
   83    HE1  TRP   8           1HE      TRP   8   5.174   1.852  -3.549
   84    HE3  TRP   8           3HE      TRP   8   1.859  -2.294  -3.521
   85    HZ2  TRP   8           2HZ      TRP   8   5.076   0.506  -6.072
   86    HZ3  TRP   8           3HZ      TRP   8   2.359  -2.815  -5.892
   87    HH2  TRP   8           HH       TRP   8   3.964  -1.423  -7.169
   88    HA   PRO   9           HA       PRO   9   5.953  -1.888   2.307
   89   1HB   PRO   9          2HB       PRO   9   8.042  -3.260   1.210
   90   2HB   PRO   9          1HB       PRO   9   6.659  -4.060   1.972
   91   1HG   PRO   9          2HG       PRO   9   7.353  -3.833  -0.870
   92   2HG   PRO   9          1HG       PRO   9   6.345  -5.027  -0.045
   93   1HD   PRO   9          2HD       PRO   9   5.483  -2.786  -1.574
   94   2HD   PRO   9          1HD       PRO   9   4.475  -3.926  -0.660
   95    H    TRP  10           H        TRP  10   5.602   0.026   0.029
   96    HA   TRP  10           HA       TRP  10   8.405   0.949  -0.365
   97   1HB   TRP  10          2HB       TRP  10   6.228   0.535  -2.060
   98   2HB   TRP  10          1HB       TRP  10   6.298   2.281  -1.869
   99    HD1  TRP  10           HD       TRP  10   8.927   3.317  -2.194
  100    HE1  TRP  10           1HE      TRP  10  10.617   2.671  -4.038
  101    HE3  TRP  10           3HE      TRP  10   6.977  -1.152  -3.598
  102    HZ2  TRP  10           2HZ      TRP  10  11.069   0.511  -5.878
  103    HZ3  TRP  10           3HZ      TRP  10   8.040  -2.501  -5.397
  104    HH2  TRP  10           HH       TRP  10  10.083  -1.673  -6.537
  105    H    ARG  11           H        ARG  11   5.136   2.151   0.378
  106    HA   ARG  11           HA       ARG  11   6.392   4.478   1.783
  107   1HB   ARG  11          2HB       ARG  11   4.215   4.160  -0.198
  108   2HB   ARG  11          1HB       ARG  11   3.850   5.257   1.132
  109   1HG   ARG  11          2HG       ARG  11   6.490   5.469  -0.283
  110   2HG   ARG  11          1HG       ARG  11   5.052   6.185  -1.010
  111   1HD   ARG  11          2HD       ARG  11   5.571   6.743   1.888
  112   2HD   ARG  11          1HD       ARG  11   6.545   7.602   0.678
  113    HE   ARG  11           HE       ARG  11   3.866   7.691  -0.216
  114   1HH1  ARG  11          1HH2      ARG  11   5.053   8.302   2.895
  115   2HH1  ARG  11          2HH2      ARG  11   4.423   9.912   2.997
  116   1HH2  ARG  11          1HH1      ARG  11   3.357   9.984  -0.302
  117   2HH2  ARG  11          2HH1      ARG  11   3.461  10.865   1.186
  118    H    ARG  12           H        ARG  12   6.229   2.478   3.424
  119    HA   ARG  12           HA       ARG  12   3.544   2.468   4.738
  120   1HB   ARG  12          2HB       ARG  12   5.671   0.572   4.237
  121   2HB   ARG  12          1HB       ARG  12   5.345   0.664   5.967
  122   1HG   ARG  12          2HG       ARG  12   2.806   0.635   5.005
  123   2HG   ARG  12          1HG       ARG  12   3.620  -0.328   3.771
  124   1HD   ARG  12          2HD       ARG  12   3.776  -0.843   6.765
  125   2HD   ARG  12          1HD       ARG  12   2.807  -1.779   5.608
  126    HE   ARG  12           HE       ARG  12   5.754  -1.495   5.202
  127   1HH1  ARG  12          1HH2      ARG  12   3.304  -3.155   3.889
  128   2HH1  ARG  12          2HH2      ARG  12   3.869  -4.747   4.267
  129   1HH2  ARG  12          1HH1      ARG  12   6.323  -3.644   6.455
  130   2HH2  ARG  12          2HH1      ARG  12   5.579  -5.024   5.720
  131    H    LYS  13           H        LYS  13   3.288   3.564   6.641
  132    HA   LYS  13           HA       LYS  13   3.870   5.093   8.369
  133   1HB   LYS  13          2HB       LYS  13   5.088   3.894  10.068
  134   2HB   LYS  13          1HB       LYS  13   4.161   2.698   9.164
  135   1HG   LYS  13          2HG       LYS  13   6.083   1.987   7.940
  136   2HG   LYS  13          1HG       LYS  13   7.027   3.375   8.479
  137   1HD   LYS  13          2HD       LYS  13   5.907   1.670  10.630
  138   2HD   LYS  13          1HD       LYS  13   7.177   0.935   9.653
  139   1HE   LYS  13          2HE       LYS  13   8.491   3.136  10.043
  140   2HE   LYS  13          1HE       LYS  13   7.327   3.432  11.349
  141   1HZ   LYS  13          1HZ       LYS  13   8.413   0.741  11.179
  142   2HZ   LYS  13          2HZ       LYS  13   8.073   1.690  12.547
  143   3HZ   LYS  13          3HZ       LYS  13   9.506   1.940  11.670
  144   1HN   NH2  14          1HN       NH2  14   5.480   5.456   5.791
  145   2HN   NH2  14          2HN       NH2  14   6.916   6.216   6.280
  Start of MODEL    5
    1   1H    ILE   1          1HT       ILE   1  -7.650  -6.386   2.417
    2   2H    ILE   1          2HT       ILE   1  -7.897  -6.410   0.736
    3   3H    ILE   1          3HT       ILE   1  -8.769  -7.467   1.742
    4    HA   ILE   1           HA       ILE   1  -9.919  -5.324   0.860
    5    HB   ILE   1           HB       ILE   1  -9.876  -6.519   3.636
    6   1HG1  ILE   1          2HG1      ILE   1 -12.113  -6.744   1.655
    7   2HG1  ILE   1          1HG1      ILE   1 -10.637  -7.663   1.357
    8   1HG2  ILE   1          1HG2      ILE   1 -11.893  -4.564   2.486
    9   2HG2  ILE   1          2HG2      ILE   1 -10.782  -4.234   3.815
   10   3HG2  ILE   1          3HG2      ILE   1 -12.063  -5.428   4.014
   11   1HD1  ILE   1          1HD1      ILE   1 -11.365  -9.208   2.823
   12   2HD1  ILE   1          2HD1      ILE   1 -12.751  -8.205   3.247
   13   3HD1  ILE   1          3HD1      ILE   1 -11.220  -8.000   4.100
   14    H    LEU   2           H        LEU   2 -10.507  -3.181   1.923
   15    HA   LEU   2           HA       LEU   2  -9.895  -1.095   2.858
   16   1HB   LEU   2          2HB       LEU   2  -9.169  -2.905   4.662
   17   2HB   LEU   2          1HB       LEU   2  -7.545  -2.423   4.167
   18    HG   LEU   2           HG       LEU   2  -8.349   0.000   4.513
   19   1HD1  LEU   2          1HD1      LEU   2 -10.791  -0.850   4.665
   20   2HD1  LEU   2          2HD1      LEU   2 -10.279   0.376   5.825
   21   3HD1  LEU   2          3HD1      LEU   2 -10.381  -1.316   6.315
   22   1HD2  LEU   2          1HD2      LEU   2  -8.278  -1.721   7.003
   23   2HD2  LEU   2          2HD2      LEU   2  -7.712  -0.061   6.823
   24   3HD2  LEU   2          3HD2      LEU   2  -6.839  -1.381   6.042
   25    H    LYS   3           H        LYS   3  -9.196  -0.052   0.996
   26    HA   LYS   3           HA       LYS   3  -7.624   1.014  -0.413
   27   1HB   LYS   3          2HB       LYS   3  -5.543  -0.185   1.426
   28   2HB   LYS   3          1HB       LYS   3  -5.456   1.332   0.532
   29   1HG   LYS   3          2HG       LYS   3  -7.437   2.127   1.914
   30   2HG   LYS   3          1HG       LYS   3  -7.203   0.699   2.920
   31   1HD   LYS   3          2HD       LYS   3  -5.177   1.452   3.764
   32   2HD   LYS   3          1HD       LYS   3  -4.840   2.448   2.348
   33   1HE   LYS   3          2HE       LYS   3  -7.175   3.118   4.139
   34   2HE   LYS   3          1HE       LYS   3  -5.537   3.665   4.548
   35   1HZ   LYS   3          1HZ       LYS   3  -5.345   4.856   2.595
   36   2HZ   LYS   3          2HZ       LYS   3  -6.977   5.115   2.988
   37   3HZ   LYS   3          3HZ       LYS   3  -6.557   3.975   1.802
   38    H    LYS   4           H        LYS   4  -8.501  -1.152  -1.602
   39    HA   LYS   4           HA       LYS   4  -8.027  -3.124  -2.808
   40   1HB   LYS   4          2HB       LYS   4  -5.765  -1.386  -3.751
   41   2HB   LYS   4          1HB       LYS   4  -6.880  -2.366  -4.690
   42   1HG   LYS   4          2HG       LYS   4  -8.722  -0.786  -3.827
   43   2HG   LYS   4          1HG       LYS   4  -7.399   0.288  -3.376
   44   1HD   LYS   4          2HD       LYS   4  -7.811  -0.834  -6.161
   45   2HD   LYS   4          1HD       LYS   4  -8.311   0.779  -5.652
   46   1HE   LYS   4          2HE       LYS   4  -5.997   1.393  -5.158
   47   2HE   LYS   4          1HE       LYS   4  -5.455  -0.254  -5.537
   48   1HZ   LYS   4          1HZ       LYS   4  -5.180   0.944  -7.522
   49   2HZ   LYS   4          2HZ       LYS   4  -6.677   1.731  -7.363
   50   3HZ   LYS   4          3HZ       LYS   4  -6.619   0.076  -7.741
   51    H    TRP   5           H        TRP   5  -7.185  -4.033  -0.626
   52    HA   TRP   5           HA       TRP   5  -5.577  -5.373   0.490
   53   1HB   TRP   5          2HB       TRP   5  -5.130  -5.569  -2.453
   54   2HB   TRP   5          1HB       TRP   5  -3.896  -6.270  -1.407
   55    HD1  TRP   5           HD       TRP   5  -7.067  -7.116  -2.998
   56    HE1  TRP   5           1HE      TRP   5  -8.121  -9.210  -1.921
   57    HE3  TRP   5           3HE      TRP   5  -4.234  -7.447   1.233
   58    HZ2  TRP   5           2HZ      TRP   5  -7.801 -10.812   0.429
   59    HZ3  TRP   5           3HZ      TRP   5  -4.626  -9.262   2.873
   60    HH2  TRP   5           HH       TRP   5  -6.404 -10.944   2.478
   61    HA   PRO   6           HA       PRO   6  -2.509  -2.045   0.841
   62   1HB   PRO   6          2HB       PRO   6  -2.151  -2.350   3.534
   63   2HB   PRO   6          1HB       PRO   6  -3.480  -1.406   2.833
   64   1HG   PRO   6          2HG       PRO   6  -3.501  -4.154   3.964
   65   2HG   PRO   6          1HG       PRO   6  -4.731  -2.884   4.056
   66   1HD   PRO   6          2HD       PRO   6  -4.857  -5.031   2.352
   67   2HD   PRO   6          1HD       PRO   6  -5.672  -3.479   2.065
   68    H    TRP   7           H        TRP   7  -1.106  -3.573  -0.390
   69    HA   TRP   7           HA       TRP   7   0.757  -5.068   1.428
   70   1HB   TRP   7          2HB       TRP   7  -0.850  -5.884  -0.867
   71   2HB   TRP   7          1HB       TRP   7   0.856  -6.268  -1.085
   72    HD1  TRP   7           HD       TRP   7  -2.205  -7.312   0.801
   73    HE1  TRP   7           1HE      TRP   7  -1.642  -9.286   2.359
   74    HE3  TRP   7           3HE      TRP   7   2.890  -7.284   0.455
   75    HZ2  TRP   7           2HZ      TRP   7   0.666 -10.673   3.330
   76    HZ3  TRP   7           3HZ      TRP   7   4.244  -8.942   1.705
   77    HH2  TRP   7           HH       TRP   7   3.140 -10.634   3.141
   78    H    TRP   8           H        TRP   8   1.484  -2.564   0.999
   79    HA   TRP   8           HA       TRP   8   3.534  -2.702  -1.167
   80   1HB   TRP   8          2HB       TRP   8   1.421  -1.209  -1.468
   81   2HB   TRP   8          1HB       TRP   8   2.183  -0.161  -0.270
   82    HD1  TRP   8           HD       TRP   8   3.954   1.462  -1.117
   83    HE1  TRP   8           1HE      TRP   8   5.226   1.796  -3.336
   84    HE3  TRP   8           3HE      TRP   8   2.437  -2.709  -3.635
   85    HZ2  TRP   8           2HZ      TRP   8   5.557   0.464  -5.847
   86    HZ3  TRP   8           3HZ      TRP   8   3.242  -3.154  -5.935
   87    HH2  TRP   8           HH       TRP   8   4.801  -1.574  -7.044
   88    HA   PRO   9           HA       PRO   9   5.849  -1.765   2.568
   89   1HB   PRO   9          2HB       PRO   9   8.114  -3.076   1.787
   90   2HB   PRO   9          1HB       PRO   9   6.705  -3.904   2.475
   91   1HG   PRO   9          2HG       PRO   9   7.681  -3.870  -0.285
   92   2HG   PRO   9          1HG       PRO   9   6.622  -5.030   0.522
   93   1HD   PRO   9          2HD       PRO   9   5.884  -2.914  -1.258
   94   2HD   PRO   9          1HD       PRO   9   4.816  -4.066  -0.429
   95    H    TRP  10           H        TRP  10   5.603  -0.005   0.185
   96    HA   TRP  10           HA       TRP  10   8.384   1.026  -0.068
   97   1HB   TRP  10          2HB       TRP  10   6.334   0.450  -1.877
   98   2HB   TRP  10          1HB       TRP  10   6.343   2.204  -1.771
   99    HD1  TRP  10           HD       TRP  10   8.960   3.308  -1.987
  100    HE1  TRP  10           1HE      TRP  10  10.785   2.619  -3.678
  101    HE3  TRP  10           3HE      TRP  10   7.236  -1.292  -3.271
  102    HZ2  TRP  10           2HZ      TRP  10  11.422   0.384  -5.363
  103    HZ3  TRP  10           3HZ      TRP  10   8.457  -2.697  -4.921
  104    HH2  TRP  10           HH       TRP  10  10.547  -1.861  -5.966
  105    H    ARG  11           H        ARG  11   5.096   2.411  -0.041
  106    HA   ARG  11           HA       ARG  11   6.093   4.542   1.791
  107   1HB   ARG  11          2HB       ARG  11   4.147   5.794   0.451
  108   2HB   ARG  11          1HB       ARG  11   5.787   5.726  -0.179
  109   1HG   ARG  11          2HG       ARG  11   5.237   4.100  -1.768
  110   2HG   ARG  11          1HG       ARG  11   3.839   3.536  -0.851
  111   1HD   ARG  11          2HD       ARG  11   2.493   4.928  -2.021
  112   2HD   ARG  11          1HD       ARG  11   3.472   6.321  -1.517
  113    HE   ARG  11           HE       ARG  11   5.076   5.258  -3.418
  114   1HH1  ARG  11          1HH2      ARG  11   2.380   3.915  -4.260
  115   2HH1  ARG  11          2HH2      ARG  11   1.923   4.966  -5.558
  116   1HH2  ARG  11          1HH1      ARG  11   4.192   7.445  -4.701
  117   2HH2  ARG  11          2HH1      ARG  11   2.948   6.966  -5.808
  118    H    ARG  12           H        ARG  12   5.142   2.605   3.191
  119    HA   ARG  12           HA       ARG  12   2.183   2.881   3.481
  120   1HB   ARG  12          2HB       ARG  12   3.926   0.729   3.444
  121   2HB   ARG  12          1HB       ARG  12   3.629   0.957   5.167
  122   1HG   ARG  12          2HG       ARG  12   1.295   1.036   3.292
  123   2HG   ARG  12          1HG       ARG  12   1.992  -0.531   3.708
  124   1HD   ARG  12          2HD       ARG  12   1.772   0.975   6.128
  125   2HD   ARG  12          1HD       ARG  12   0.213   1.061   5.285
  126    HE   ARG  12           HE       ARG  12   1.125  -1.606   5.059
  127   1HH1  ARG  12          1HH1      ARG  12  -1.410  -0.316   6.414
  128   2HH1  ARG  12          2HH1      ARG  12  -1.328  -1.092   7.959
  129   1HH2  ARG  12          1HH2      ARG  12   1.925  -2.207   7.520
  130   2HH2  ARG  12          2HH2      ARG  12   0.561  -2.163   8.586
  131    H    LYS  13           H        LYS  13   1.283   3.537   5.487
  132    HA   LYS  13           HA       LYS  13   3.225   4.793   7.397
  133   1HB   LYS  13          2HB       LYS  13   0.836   5.657   6.020
  134   2HB   LYS  13          1HB       LYS  13   0.588   5.767   7.764
  135   1HG   LYS  13          2HG       LYS  13   1.558   7.853   7.108
  136   2HG   LYS  13          1HG       LYS  13   2.853   6.937   7.882
  137   1HD   LYS  13          2HD       LYS  13   2.900   6.177   5.167
  138   2HD   LYS  13          1HD       LYS  13   2.703   7.930   5.168
  139   1HE   LYS  13          2HE       LYS  13   4.634   7.194   7.185
  140   2HE   LYS  13          1HE       LYS  13   5.102   6.497   5.620
  141   1HZ   LYS  13          1HZ       LYS  13   4.145   9.287   5.897
  142   2HZ   LYS  13          2HZ       LYS  13   4.934   8.579   4.571
  143   3HZ   LYS  13          3HZ       LYS  13   5.789   8.883   6.007
  144   1HN   NH2  14          1HN       NH2  14   2.918   2.121   7.952
  145   2HN   NH2  14          2HN       NH2  14   1.840   1.867   9.238
  Start of MODEL    6
    1   1H    ILE   1          1HT       ILE   1 -11.343   8.134  -3.003
    2   2H    ILE   1          2HT       ILE   1 -10.036   7.857  -4.053
    3   3H    ILE   1          3HT       ILE   1  -9.782   7.929  -2.374
    4    HA   ILE   1           HA       ILE   1 -11.531   5.956  -2.403
    5    HB   ILE   1           HB       ILE   1 -10.106   5.969  -5.083
    6   1HG1  ILE   1          2HG1      ILE   1 -13.003   6.297  -4.256
    7   2HG1  ILE   1          1HG1      ILE   1 -12.002   7.453  -5.135
    8   1HG2  ILE   1          1HG2      ILE   1 -12.018   3.938  -3.891
    9   2HG2  ILE   1          2HG2      ILE   1 -10.281   3.705  -4.081
   10   3HG2  ILE   1          3HG2      ILE   1 -11.309   3.870  -5.504
   11   1HD1  ILE   1          1HD1      ILE   1 -11.863   5.088  -6.638
   12   2HD1  ILE   1          2HD1      ILE   1 -12.776   6.541  -7.044
   13   3HD1  ILE   1          3HD1      ILE   1 -13.556   5.226  -6.163
   14    H    LEU   2           H        LEU   2 -10.463   3.836  -1.992
   15    HA   LEU   2           HA       LEU   2  -7.691   3.313  -2.211
   16   1HB   LEU   2          2HB       LEU   2  -8.366   5.391  -0.370
   17   2HB   LEU   2          1HB       LEU   2  -7.800   4.009   0.570
   18    HG   LEU   2           HG       LEU   2  -6.097   4.260  -1.703
   19   1HD1  LEU   2          1HD1      LEU   2  -5.949   6.474  -2.075
   20   2HD1  LEU   2          2HD1      LEU   2  -5.424   6.691  -0.407
   21   3HD1  LEU   2          3HD1      LEU   2  -7.137   6.791  -0.811
   22   1HD2  LEU   2          1HD2      LEU   2  -4.825   3.516   0.008
   23   2HD2  LEU   2          2HD2      LEU   2  -5.983   4.103   1.201
   24   3HD2  LEU   2          3HD2      LEU   2  -4.742   5.185   0.570
   25    H    LYS   3           H        LYS   3  -8.235   1.143  -2.294
   26    HA   LYS   3           HA       LYS   3  -8.626  -0.322   0.145
   27   1HB   LYS   3          2HB       LYS   3 -11.009  -1.052  -0.445
   28   2HB   LYS   3          1HB       LYS   3 -10.837   0.605   0.133
   29   1HG   LYS   3          2HG       LYS   3 -11.090   1.516  -2.022
   30   2HG   LYS   3          1HG       LYS   3 -10.710  -0.015  -2.812
   31   1HD   LYS   3          2HD       LYS   3 -12.856  -0.869  -1.549
   32   2HD   LYS   3          1HD       LYS   3 -13.263   0.846  -1.488
   33   1HE   LYS   3          2HE       LYS   3 -13.349   1.036  -3.845
   34   2HE   LYS   3          1HE       LYS   3 -12.439  -0.469  -4.085
   35   1HZ   LYS   3          1HZ       LYS   3 -14.772  -0.905  -4.408
   36   2HZ   LYS   3          2HZ       LYS   3 -15.156  -0.214  -2.904
   37   3HZ   LYS   3          3HZ       LYS   3 -14.267  -1.660  -2.976
   38    H    LYS   4           H        LYS   4  -6.773  -1.019  -1.506
   39    HA   LYS   4           HA       LYS   4  -7.854  -3.316  -3.089
   40   1HB   LYS   4          2HB       LYS   4  -6.387  -0.929  -3.907
   41   2HB   LYS   4          1HB       LYS   4  -5.578  -2.408  -4.415
   42   1HG   LYS   4          2HG       LYS   4  -8.317  -2.833  -4.921
   43   2HG   LYS   4          1HG       LYS   4  -7.980  -1.194  -5.482
   44   1HD   LYS   4          2HD       LYS   4  -7.387  -2.415  -7.367
   45   2HD   LYS   4          1HD       LYS   4  -5.836  -2.337  -6.530
   46   1HE   LYS   4          2HE       LYS   4  -6.051  -4.563  -5.698
   47   2HE   LYS   4          1HE       LYS   4  -7.776  -4.626  -6.105
   48   1HZ   LYS   4          1HZ       LYS   4  -5.449  -4.678  -7.909
   49   2HZ   LYS   4          2HZ       LYS   4  -6.931  -4.062  -8.467
   50   3HZ   LYS   4          3HZ       LYS   4  -6.827  -5.666  -7.916
   51    H    TRP   5           H        TRP   5  -7.146  -4.148  -0.841
   52    HA   TRP   5           HA       TRP   5  -5.602  -5.383   0.467
   53   1HB   TRP   5          2HB       TRP   5  -4.947  -5.765  -2.427
   54   2HB   TRP   5          1HB       TRP   5  -3.840  -6.442  -1.233
   55    HD1  TRP   5           HD       TRP   5  -6.888  -7.274  -3.057
   56    HE1  TRP   5           1HE      TRP   5  -8.112  -9.266  -1.968
   57    HE3  TRP   5           3HE      TRP   5  -4.455  -7.453   1.423
   58    HZ2  TRP   5           2HZ      TRP   5  -8.061 -10.740   0.486
   59    HZ3  TRP   5           3HZ      TRP   5  -5.059  -9.158   3.119
   60    HH2  TRP   5           HH       TRP   5  -6.859 -10.800   2.656
   61    HA   PRO   6           HA       PRO   6  -2.565  -2.024   0.782
   62   1HB   PRO   6          2HB       PRO   6  -2.300  -2.216   3.497
   63   2HB   PRO   6          1HB       PRO   6  -3.611  -1.316   2.711
   64   1HG   PRO   6          2HG       PRO   6  -3.647  -4.025   3.937
   65   2HG   PRO   6          1HG       PRO   6  -4.885  -2.760   3.957
   66   1HD   PRO   6          2HD       PRO   6  -4.977  -4.949   2.320
   67   2HD   PRO   6          1HD       PRO   6  -5.754  -3.396   1.942
   68    H    TRP   7           H        TRP   7  -1.103  -3.576  -0.337
   69    HA   TRP   7           HA       TRP   7   0.732  -4.955   1.595
   70   1HB   TRP   7          2HB       TRP   7  -0.859  -5.950  -0.610
   71   2HB   TRP   7          1HB       TRP   7   0.853  -6.243  -0.908
   72    HD1  TRP   7           HD       TRP   7  -1.995  -7.171   1.428
   73    HE1  TRP   7           1HE      TRP   7  -1.256  -9.144   2.915
   74    HE3  TRP   7           3HE      TRP   7   2.957  -7.399   0.197
   75    HZ2  TRP   7           2HZ      TRP   7   1.120 -10.623   3.504
   76    HZ3  TRP   7           3HZ      TRP   7   4.433  -9.097   1.235
   77    HH2  TRP   7           HH       TRP   7   3.523 -10.708   2.886
   78    H    TRP   8           H        TRP   8   1.428  -2.466   1.038
   79    HA   TRP   8           HA       TRP   8   3.444  -2.654  -1.160
   80   1HB   TRP   8          2HB       TRP   8   1.353  -1.097  -1.318
   81   2HB   TRP   8          1HB       TRP   8   2.225  -0.091  -0.159
   82    HD1  TRP   8           HD       TRP   8   3.979   1.495  -1.102
   83    HE1  TRP   8           1HE      TRP   8   5.128   1.809  -3.389
   84    HE3  TRP   8           3HE      TRP   8   2.204  -2.618  -3.553
   85    HZ2  TRP   8           2HZ      TRP   8   5.276   0.487  -5.923
   86    HZ3  TRP   8           3HZ      TRP   8   2.865  -3.068  -5.898
   87    HH2  TRP   8           HH       TRP   8   4.397  -1.522  -7.085
   88    HA   PRO   9           HA       PRO   9   5.956  -1.856   2.480
   89   1HB   PRO   9          2HB       PRO   9   8.174  -3.136   1.536
   90   2HB   PRO   9          1HB       PRO   9   6.800  -3.991   2.258
   91   1HG   PRO   9          2HG       PRO   9   7.633  -3.835  -0.548
   92   2HG   PRO   9          1HG       PRO   9   6.630  -5.040   0.267
   93   1HD   PRO   9          2HD       PRO   9   5.774  -2.874  -1.387
   94   2HD   PRO   9          1HD       PRO   9   4.763  -4.051  -0.526
   95    H    TRP  10           H        TRP  10   5.599  -0.004   0.177
   96    HA   TRP  10           HA       TRP  10   8.369   1.032  -0.162
   97   1HB   TRP  10          2HB       TRP  10   6.240   0.517  -1.901
   98   2HB   TRP  10          1HB       TRP  10   6.271   2.266  -1.747
   99    HD1  TRP  10           HD       TRP  10   8.893   3.349  -2.030
  100    HE1  TRP  10           1HE      TRP  10  10.640   2.694  -3.814
  101    HE3  TRP  10           3HE      TRP  10   7.063  -1.187  -3.385
  102    HZ2  TRP  10           2HZ      TRP  10  11.181   0.505  -5.592
  103    HZ3  TRP  10           3HZ      TRP  10   8.197  -2.554  -5.125
  104    HH2  TRP  10           HH       TRP  10  10.254  -1.710  -6.229
  105    H    ARG  11           H        ARG  11   5.104   2.464  -0.029
  106    HA   ARG  11           HA       ARG  11   6.144   4.477   1.907
  107   1HB   ARG  11          2HB       ARG  11   4.278   5.864   0.581
  108   2HB   ARG  11          1HB       ARG  11   5.933   5.768  -0.005
  109   1HG   ARG  11          2HG       ARG  11   5.373   4.152  -1.639
  110   2HG   ARG  11          1HG       ARG  11   3.852   3.746  -0.841
  111   1HD   ARG  11          2HD       ARG  11   3.489   5.153  -2.874
  112   2HD   ARG  11          1HD       ARG  11   2.958   5.989  -1.402
  113    HE   ARG  11           HE       ARG  11   5.119   7.219  -1.426
  114   1HH1  ARG  11          1HH2      ARG  11   3.795   8.097  -3.912
  115   2HH1  ARG  11          2HH2      ARG  11   5.001   7.804  -5.120
  116   1HH2  ARG  11          1HH1      ARG  11   6.872   5.680  -3.115
  117   2HH2  ARG  11          2HH1      ARG  11   6.743   6.436  -4.670
  118    H    ARG  12           H        ARG  12   5.085   2.534   3.208
  119    HA   ARG  12           HA       ARG  12   2.371   3.460   3.978
  120   1HB   ARG  12          2HB       ARG  12   2.180   1.717   2.176
  121   2HB   ARG  12          1HB       ARG  12   3.014   0.588   3.245
  122   1HG   ARG  12          2HG       ARG  12   1.220   0.408   4.688
  123   2HG   ARG  12          1HG       ARG  12   0.638   2.034   4.333
  124   1HD   ARG  12          2HD       ARG  12   0.515   0.513   1.907
  125   2HD   ARG  12          1HD       ARG  12  -0.276  -0.418   3.195
  126    HE   ARG  12           HE       ARG  12  -1.492   1.794   3.731
  127   1HH1  ARG  12          1HH1      ARG  12   0.203   2.779   1.196
  128   2HH1  ARG  12          2HH1      ARG  12  -1.108   2.988   0.083
  129   1HH2  ARG  12          1HH2      ARG  12  -3.400   1.284   2.050
  130   2HH2  ARG  12          2HH2      ARG  12  -3.147   2.141   0.566
  131    H    LYS  13           H        LYS  13   3.685   4.098   5.903
  132    HA   LYS  13           HA       LYS  13   4.734   1.854   7.549
  133   1HB   LYS  13          2HB       LYS  13   5.484   4.494   7.028
  134   2HB   LYS  13          1HB       LYS  13   4.829   4.552   8.664
  135   1HG   LYS  13          2HG       LYS  13   6.964   3.909   9.204
  136   2HG   LYS  13          1HG       LYS  13   6.302   2.307   8.873
  137   1HD   LYS  13          2HD       LYS  13   7.119   3.496   6.393
  138   2HD   LYS  13          1HD       LYS  13   8.453   3.607   7.542
  139   1HE   LYS  13          2HE       LYS  13   8.254   1.182   8.011
  140   2HE   LYS  13          1HE       LYS  13   6.927   1.071   6.837
  141   1HZ   LYS  13          1HZ       LYS  13   8.725   0.631   5.501
  142   2HZ   LYS  13          2HZ       LYS  13   9.774   1.645   6.372
  143   3HZ   LYS  13          3HZ       LYS  13   8.618   2.314   5.322
  144   1HN   NH2  14          1HN       NH2  14   1.905   1.740   7.329
  145   2HN   NH2  14          2HN       NH2  14   1.204   2.207   8.802
  Start of MODEL    7
    1   1H    ILE   1          1HT       ILE   1 -11.302  -6.221   3.222
    2   2H    ILE   1          2HT       ILE   1 -12.418  -4.971   2.936
    3   3H    ILE   1          3HT       ILE   1 -10.966  -4.646   3.756
    4    HA   ILE   1           HA       ILE   1  -9.843  -5.496   1.594
    5    HB   ILE   1           HB       ILE   1 -12.593  -4.625   0.657
    6   1HG1  ILE   1          2HG1      ILE   1 -12.590  -6.802   1.934
    7   2HG1  ILE   1          1HG1      ILE   1 -13.072  -6.964   0.245
    8   1HG2  ILE   1          1HG2      ILE   1 -10.033  -5.410  -0.640
    9   2HG2  ILE   1          2HG2      ILE   1 -11.284  -4.300  -1.200
   10   3HG2  ILE   1          3HG2      ILE   1 -11.509  -6.041  -1.369
   11   1HD1  ILE   1          1HD1      ILE   1 -10.171  -7.252   0.911
   12   2HD1  ILE   1          2HD1      ILE   1 -11.114  -8.037  -0.356
   13   3HD1  ILE   1          3HD1      ILE   1 -11.252  -8.587   1.313
   14    H    LEU   2           H        LEU   2  -9.054  -3.723   0.196
   15    HA   LEU   2           HA       LEU   2  -9.999  -1.044   0.258
   16   1HB   LEU   2          2HB       LEU   2  -9.003  -1.927   2.723
   17   2HB   LEU   2          1HB       LEU   2  -7.691  -0.965   2.041
   18    HG   LEU   2           HG       LEU   2 -10.444   0.155   1.823
   19   1HD1  LEU   2          1HD1      LEU   2  -9.445   1.104   4.273
   20   2HD1  LEU   2          2HD1      LEU   2  -9.259  -0.649   4.348
   21   3HD1  LEU   2          3HD1      LEU   2 -10.846   0.059   4.039
   22   1HD2  LEU   2          1HD2      LEU   2  -8.796   2.126   2.703
   23   2HD2  LEU   2          2HD2      LEU   2  -8.963   1.698   1.001
   24   3HD2  LEU   2          3HD2      LEU   2  -7.617   1.057   1.942
   25    H    LYS   3           H        LYS   3  -9.180  -0.849  -1.817
   26    HA   LYS   3           HA       LYS   3  -7.556  -0.448  -3.485
   27   1HB   LYS   3          2HB       LYS   3  -5.658  -0.358  -1.122
   28   2HB   LYS   3          1HB       LYS   3  -5.476   0.465  -2.671
   29   1HG   LYS   3          2HG       LYS   3  -7.843   1.490  -1.985
   30   2HG   LYS   3          1HG       LYS   3  -7.245   1.142  -0.362
   31   1HD   LYS   3          2HD       LYS   3  -5.125   2.323  -1.898
   32   2HD   LYS   3          1HD       LYS   3  -6.560   3.341  -2.026
   33   1HE   LYS   3          2HE       LYS   3  -5.496   4.124  -0.054
   34   2HE   LYS   3          1HE       LYS   3  -6.729   3.009   0.568
   35   1HZ   LYS   3          1HZ       LYS   3  -5.048   1.220   0.429
   36   2HZ   LYS   3          2HZ       LYS   3  -4.628   2.434   1.542
   37   3HZ   LYS   3          3HZ       LYS   3  -3.878   2.378   0.018
   38    H    LYS   4           H        LYS   4  -8.158  -3.013  -3.477
   39    HA   LYS   4           HA       LYS   4  -7.393  -5.246  -3.656
   40   1HB   LYS   4          2HB       LYS   4  -6.660  -3.734  -5.599
   41   2HB   LYS   4          1HB       LYS   4  -5.053  -3.820  -4.894
   42   1HG   LYS   4          2HG       LYS   4  -5.966  -6.461  -4.894
   43   2HG   LYS   4          1HG       LYS   4  -6.485  -5.814  -6.449
   44   1HD   LYS   4          2HD       LYS   4  -3.676  -5.905  -5.326
   45   2HD   LYS   4          1HD       LYS   4  -4.276  -6.669  -6.799
   46   1HE   LYS   4          2HE       LYS   4  -4.895  -3.956  -7.138
   47   2HE   LYS   4          1HE       LYS   4  -3.267  -3.960  -6.432
   48   1HZ   LYS   4          1HZ       LYS   4  -4.192  -5.079  -8.960
   49   2HZ   LYS   4          2HZ       LYS   4  -3.059  -6.006  -8.098
   50   3HZ   LYS   4          3HZ       LYS   4  -2.684  -4.415  -8.558
   51    H    TRP   5           H        TRP   5  -6.982  -5.030  -1.223
   52    HA   TRP   5           HA       TRP   5  -5.614  -5.545   0.645
   53   1HB   TRP   5          2HB       TRP   5  -4.491  -6.915  -1.765
   54   2HB   TRP   5          1HB       TRP   5  -3.557  -6.977  -0.270
   55    HD1  TRP   5           HD       TRP   5  -6.292  -8.690  -2.007
   56    HE1  TRP   5           1HE      TRP   5  -7.562 -10.261  -0.405
   57    HE3  TRP   5           3HE      TRP   5  -4.466  -7.047   2.467
   58    HZ2  TRP   5           2HZ      TRP   5  -7.774 -10.755   2.404
   59    HZ3  TRP   5           3HZ      TRP   5  -5.216  -8.084   4.590
   60    HH2  TRP   5           HH       TRP   5  -6.867  -9.934   4.565
   61    HA   PRO   6           HA       PRO   6  -2.818  -2.031   0.116
   62   1HB   PRO   6          2HB       PRO   6  -2.839  -1.325   2.759
   63   2HB   PRO   6          1HB       PRO   6  -4.114  -0.855   1.618
   64   1HG   PRO   6          2HG       PRO   6  -4.100  -3.028   3.649
   65   2HG   PRO   6          1HG       PRO   6  -5.417  -1.952   3.159
   66   1HD   PRO   6          2HD       PRO   6  -5.183  -4.541   2.317
   67   2HD   PRO   6          1HD       PRO   6  -6.013  -3.272   1.391
   68    H    TRP   7           H        TRP   7  -1.133  -3.693  -0.314
   69    HA   TRP   7           HA       TRP   7   0.538  -4.246   2.116
   70   1HB   TRP   7          2HB       TRP   7  -0.658  -5.974   0.119
   71   2HB   TRP   7          1HB       TRP   7   1.096  -6.160   0.135
   72    HD1  TRP   7           HD       TRP   7  -2.005  -6.860   2.154
   73    HE1  TRP   7           1HE      TRP   7  -1.372  -8.182   4.275
   74    HE3  TRP   7           3HE      TRP   7   3.082  -6.491   1.935
   75    HZ2  TRP   7           2HZ      TRP   7   0.983  -8.977   5.692
   76    HZ3  TRP   7           3HZ      TRP   7   4.496  -7.537   3.682
   77    HH2  TRP   7           HH       TRP   7   3.453  -8.778   5.558
   78    H    TRP   8           H        TRP   8   1.106  -1.946   0.923
   79    HA   TRP   8           HA       TRP   8   3.177  -2.411  -1.157
   80   1HB   TRP   8          2HB       TRP   8   1.222  -0.669  -1.185
   81   2HB   TRP   8          1HB       TRP   8   2.262   0.254  -0.099
   82    HD1  TRP   8           HD       TRP   8   4.071   1.680  -1.184
   83    HE1  TRP   8           1HE      TRP   8   5.086   1.873  -3.546
   84    HE3  TRP   8           3HE      TRP   8   1.791  -2.287  -3.449
   85    HZ2  TRP   8           2HZ      TRP   8   4.950   0.521  -6.064
   86    HZ3  TRP   8           3HZ      TRP   8   2.253  -2.814  -5.827
   87    HH2  TRP   8           HH       TRP   8   3.829  -1.416  -7.137
   88    HA   PRO   9           HA       PRO   9   5.968  -1.843   2.313
   89   1HB   PRO   9          2HB       PRO   9   8.038  -3.236   1.202
   90   2HB   PRO   9          1HB       PRO   9   6.664  -4.021   1.998
   91   1HG   PRO   9          2HG       PRO   9   7.317  -3.840  -0.856
   92   2HG   PRO   9          1HG       PRO   9   6.312  -5.014   0.000
   93   1HD   PRO   9          2HD       PRO   9   5.447  -2.785  -1.549
   94   2HD   PRO   9          1HD       PRO   9   4.442  -3.911  -0.613
   95    H    TRP  10           H        TRP  10   5.595   0.017  -0.025
   96    HA   TRP  10           HA       TRP  10   8.388   0.934  -0.468
   97   1HB   TRP  10          2HB       TRP  10   6.179   0.526  -2.112
   98   2HB   TRP  10          1HB       TRP  10   6.244   2.273  -1.919
   99    HD1  TRP  10           HD       TRP  10   8.873   3.311  -2.288
  100    HE1  TRP  10           1HE      TRP  10  10.518   2.682  -4.177
  101    HE3  TRP  10           3HE      TRP  10   6.885  -1.141  -3.689
  102    HZ2  TRP  10           2HZ      TRP  10  10.926   0.541  -6.047
  103    HZ3  TRP  10           3HZ      TRP  10   7.904  -2.474  -5.527
  104    HH2  TRP  10           HH       TRP  10   9.922  -1.635  -6.704
  105    H    ARG  11           H        ARG  11   5.154   2.149   0.386
  106    HA   ARG  11           HA       ARG  11   6.465   4.476   1.738
  107   1HB   ARG  11          2HB       ARG  11   4.227   4.171  -0.175
  108   2HB   ARG  11          1HB       ARG  11   3.908   5.268   1.166
  109   1HG   ARG  11          2HG       ARG  11   6.470   5.445  -0.411
  110   2HG   ARG  11          1HG       ARG  11   5.005   6.260  -0.958
  111   1HD   ARG  11          2HD       ARG  11   4.866   7.339   1.343
  112   2HD   ARG  11          1HD       ARG  11   6.494   6.703   1.648
  113    HE   ARG  11           HE       ARG  11   5.945   8.384  -0.765
  114   1HH1  ARG  11          1HH1      ARG  11   8.530   6.994   0.573
  115   2HH1  ARG  11          2HH1      ARG  11   9.395   8.435   0.986
  116   1HH2  ARG  11          1HH2      ARG  11   6.691  10.533   0.426
  117   2HH2  ARG  11          2HH2      ARG  11   8.353  10.441   0.903
  118    H    ARG  12           H        ARG  12   6.347   2.487   3.392
  119    HA   ARG  12           HA       ARG  12   3.889   1.770   4.643
  120   1HB   ARG  12          2HB       ARG  12   6.196   0.746   4.883
  121   2HB   ARG  12          1HB       ARG  12   6.614   2.102   5.933
  122   1HG   ARG  12          2HG       ARG  12   4.882   1.498   7.511
  123   2HG   ARG  12          1HG       ARG  12   4.258   0.260   6.421
  124   1HD   ARG  12          2HD       ARG  12   6.038  -1.193   6.833
  125   2HD   ARG  12          1HD       ARG  12   7.134   0.125   7.298
  126    HE   ARG  12           HE       ARG  12   4.980   0.158   9.130
  127   1HH1  ARG  12          1HH2      ARG  12   8.029  -1.200   8.522
  128   2HH1  ARG  12          2HH2      ARG  12   8.007  -2.259   9.891
  129   1HH2  ARG  12          1HH1      ARG  12   4.732  -1.514  10.750
  130   2HH2  ARG  12          2HH1      ARG  12   6.140  -2.438  11.153
  131    H    LYS  13           H        LYS  13   2.595   2.871   6.087
  132    HA   LYS  13           HA       LYS  13   3.630   5.076   7.722
  133   1HB   LYS  13          2HB       LYS  13   2.439   5.471   5.093
  134   2HB   LYS  13          1HB       LYS  13   1.519   6.308   6.344
  135   1HG   LYS  13          2HG       LYS  13   4.294   6.695   6.896
  136   2HG   LYS  13          1HG       LYS  13   4.023   7.068   5.193
  137   1HD   LYS  13          2HD       LYS  13   2.742   8.893   5.660
  138   2HD   LYS  13          1HD       LYS  13   1.963   8.114   7.038
  139   1HE   LYS  13          2HE       LYS  13   3.476   8.968   8.520
  140   2HE   LYS  13          1HE       LYS  13   4.844   8.684   7.424
  141   1HZ   LYS  13          1HZ       LYS  13   2.784  10.759   6.930
  142   2HZ   LYS  13          2HZ       LYS  13   4.280  10.569   6.146
  143   3HZ   LYS  13          3HZ       LYS  13   4.224  11.084   7.764
  144   1HN   NH2  14          1HN       NH2  14   2.644   3.449   9.306
  145   2HN   NH2  14          2HN       NH2  14   0.967   3.484   9.570
  Start of MODEL    8
    1   1H    ILE   1          1HT       ILE   1 -14.507   1.907  -2.009
    2   2H    ILE   1          2HT       ILE   1 -14.861   1.171  -3.499
    3   3H    ILE   1          3HT       ILE   1 -15.522   2.689  -3.119
    4    HA   ILE   1           HA       ILE   1 -13.386   2.438  -4.658
    5    HB   ILE   1           HB       ILE   1 -12.947   4.804  -3.877
    6   1HG1  ILE   1          2HG1      ILE   1 -15.263   4.748  -2.065
    7   2HG1  ILE   1          1HG1      ILE   1 -13.877   3.840  -1.460
    8   1HG2  ILE   1          1HG2      ILE   1 -14.684   5.313  -5.212
    9   2HG2  ILE   1          2HG2      ILE   1 -15.821   4.921  -3.923
   10   3HG2  ILE   1          3HG2      ILE   1 -15.276   3.662  -5.031
   11   1HD1  ILE   1          1HD1      ILE   1 -12.901   6.277  -2.586
   12   2HD1  ILE   1          2HD1      ILE   1 -12.860   5.764  -0.900
   13   3HD1  ILE   1          3HD1      ILE   1 -14.240   6.676  -1.511
   14    H    LEU   2           H        LEU   2 -11.177   2.118  -4.474
   15    HA   LEU   2           HA       LEU   2  -9.075   1.731  -3.459
   16   1HB   LEU   2          2HB       LEU   2 -10.331   3.795  -2.086
   17   2HB   LEU   2          1HB       LEU   2  -9.898   2.666  -0.803
   18    HG   LEU   2           HG       LEU   2  -7.571   2.578  -1.845
   19   1HD1  LEU   2          1HD1      LEU   2  -8.403   3.586  -4.031
   20   2HD1  LEU   2          2HD1      LEU   2  -6.934   4.310  -3.377
   21   3HD1  LEU   2          3HD1      LEU   2  -8.482   5.134  -3.187
   22   1HD2  LEU   2          1HD2      LEU   2  -7.385   3.845   0.038
   23   2HD2  LEU   2          2HD2      LEU   2  -8.843   4.766  -0.329
   24   3HD2  LEU   2          3HD2      LEU   2  -7.310   5.204  -1.084
   25    H    LYS   3           H        LYS   3  -9.118  -0.521  -3.402
   26    HA   LYS   3           HA       LYS   3  -9.335  -1.811  -0.820
   27   1HB   LYS   3          2HB       LYS   3 -11.345  -3.230  -1.563
   28   2HB   LYS   3          1HB       LYS   3 -11.693  -1.556  -1.132
   29   1HG   LYS   3          2HG       LYS   3 -11.971  -0.900  -3.361
   30   2HG   LYS   3          1HG       LYS   3 -11.034  -2.260  -3.978
   31   1HD   LYS   3          2HD       LYS   3 -13.125  -3.081  -4.448
   32   2HD   LYS   3          1HD       LYS   3 -13.019  -3.624  -2.774
   33   1HE   LYS   3          2HE       LYS   3 -13.923  -0.896  -2.779
   34   2HE   LYS   3          1HE       LYS   3 -14.941  -1.844  -3.881
   35   1HZ   LYS   3          1HZ       LYS   3 -14.152  -2.809  -1.191
   36   2HZ   LYS   3          2HZ       LYS   3 -15.344  -3.448  -2.220
   37   3HZ   LYS   3          3HZ       LYS   3 -15.587  -1.946  -1.464
   38    H    LYS   4           H        LYS   4  -7.175  -2.105  -2.202
   39    HA   LYS   4           HA       LYS   4  -7.430  -4.702  -3.669
   40   1HB   LYS   4          2HB       LYS   4  -6.341  -2.079  -4.424
   41   2HB   LYS   4          1HB       LYS   4  -5.237  -3.412  -4.740
   42   1HG   LYS   4          2HG       LYS   4  -8.128  -3.604  -5.558
   43   2HG   LYS   4          1HG       LYS   4  -6.964  -2.767  -6.585
   44   1HD   LYS   4          2HD       LYS   4  -5.586  -4.756  -6.747
   45   2HD   LYS   4          1HD       LYS   4  -6.600  -5.600  -5.576
   46   1HE   LYS   4          2HE       LYS   4  -8.444  -4.777  -7.473
   47   2HE   LYS   4          1HE       LYS   4  -7.029  -5.214  -8.453
   48   1HZ   LYS   4          1HZ       LYS   4  -8.469  -6.869  -6.469
   49   2HZ   LYS   4          2HZ       LYS   4  -6.872  -7.227  -6.927
   50   3HZ   LYS   4          3HZ       LYS   4  -8.115  -7.235  -8.087
   51    H    TRP   5           H        TRP   5  -6.962  -5.179  -1.242
   52    HA   TRP   5           HA       TRP   5  -5.418  -5.809   0.459
   53   1HB   TRP   5          2HB       TRP   5  -4.431  -6.645  -2.239
   54   2HB   TRP   5          1HB       TRP   5  -3.376  -6.920  -0.853
   55    HD1  TRP   5           HD       TRP   5  -5.869  -8.676  -2.730
   56    HE1  TRP   5           1HE      TRP   5  -7.034 -10.501  -1.327
   57    HE3  TRP   5           3HE      TRP   5  -4.448  -7.223   1.941
   58    HZ2  TRP   5           2HZ      TRP   5  -7.323 -11.244   1.425
   59    HZ3  TRP   5           3HZ      TRP   5  -5.178  -8.501   3.941
   60    HH2  TRP   5           HH       TRP   5  -6.613 -10.508   3.687
   61    HA   PRO   6           HA       PRO   6  -2.870  -2.035   0.226
   62   1HB   PRO   6          2HB       PRO   6  -3.034  -1.493   2.902
   63   2HB   PRO   6          1HB       PRO   6  -4.276  -1.003   1.734
   64   1HG   PRO   6          2HG       PRO   6  -4.259  -3.301   3.625
   65   2HG   PRO   6          1HG       PRO   6  -5.594  -2.239   3.151
   66   1HD   PRO   6          2HD       PRO   6  -5.240  -4.755   2.154
   67   2HD   PRO   6          1HD       PRO   6  -6.063  -3.453   1.268
   68    H    TRP   7           H        TRP   7  -1.127  -3.646  -0.225
   69    HA   TRP   7           HA       TRP   7   0.525  -4.173   2.220
   70   1HB   TRP   7          2HB       TRP   7  -0.666  -5.966   0.289
   71   2HB   TRP   7          1HB       TRP   7   1.090  -6.124   0.268
   72    HD1  TRP   7           HD       TRP   7  -1.949  -6.662   2.469
   73    HE1  TRP   7           1HE      TRP   7  -1.247  -7.982   4.571
   74    HE3  TRP   7           3HE      TRP   7   3.124  -6.600   1.892
   75    HZ2  TRP   7           2HZ      TRP   7   1.152  -8.891   5.839
   76    HZ3  TRP   7           3HZ      TRP   7   4.593  -7.697   3.560
   77    HH2  TRP   7           HH       TRP   7   3.614  -8.842   5.530
   78    H    TRP   8           H        TRP   8   1.066  -1.897   0.973
   79    HA   TRP   8           HA       TRP   8   3.109  -2.377  -1.127
   80   1HB   TRP   8          2HB       TRP   8   1.167  -0.623  -1.113
   81   2HB   TRP   8          1HB       TRP   8   2.234   0.293  -0.049
   82    HD1  TRP   8           HD       TRP   8   4.035   1.700  -1.169
   83    HE1  TRP   8           1HE      TRP   8   5.002   1.887  -3.552
   84    HE3  TRP   8           3HE      TRP   8   1.674  -2.244  -3.388
   85    HZ2  TRP   8           2HZ      TRP   8   4.803   0.537  -6.067
   86    HZ3  TRP   8           3HZ      TRP   8   2.081  -2.773  -5.775
   87    HH2  TRP   8           HH       TRP   8   3.641  -1.389  -7.115
   88    HA   PRO   9           HA       PRO   9   5.975  -1.837   2.286
   89   1HB   PRO   9          2HB       PRO   9   8.011  -3.245   1.132
   90   2HB   PRO   9          1HB       PRO   9   6.646  -4.021   1.955
   91   1HG   PRO   9          2HG       PRO   9   7.240  -3.838  -0.913
   92   2HG   PRO   9          1HG       PRO   9   6.247  -5.008  -0.036
   93   1HD   PRO   9          2HD       PRO   9   5.358  -2.776  -1.562
   94   2HD   PRO   9          1HD       PRO   9   4.369  -3.892  -0.600
   95    H    TRP  10           H        TRP  10   5.574   0.019  -0.059
   96    HA   TRP  10           HA       TRP  10   8.367   0.911  -0.548
   97   1HB   TRP  10          2HB       TRP  10   6.125   0.532  -2.152
   98   2HB   TRP  10          1HB       TRP  10   6.208   2.278  -1.957
   99    HD1  TRP  10           HD       TRP  10   8.835   3.295  -2.363
  100    HE1  TRP  10           1HE      TRP  10  10.447   2.660  -4.279
  101    HE3  TRP  10           3HE      TRP  10   6.794  -1.138  -3.749
  102    HZ2  TRP  10           2HZ      TRP  10  10.810   0.520  -6.163
  103    HZ3  TRP  10           3HZ      TRP  10   7.775  -2.473  -5.605
  104    HH2  TRP  10           HH       TRP  10   9.780  -1.646  -6.810
  105    H    ARG  11           H        ARG  11   5.169   2.147   0.403
  106    HA   ARG  11           HA       ARG  11   6.537   4.474   1.695
  107   1HB   ARG  11          2HB       ARG  11   4.225   4.170  -0.119
  108   2HB   ARG  11          1HB       ARG  11   3.950   5.257   1.240
  109   1HG   ARG  11          2HG       ARG  11   6.484   5.485  -0.354
  110   2HG   ARG  11          1HG       ARG  11   4.997   6.207  -0.969
  111   1HD   ARG  11          2HD       ARG  11   4.744   7.512   1.102
  112   2HD   ARG  11          1HD       ARG  11   6.213   6.764   1.762
  113    HE   ARG  11           HE       ARG  11   6.144   8.845  -0.277
  114   1HH1  ARG  11          1HH1      ARG  11   8.342   8.599   1.706
  115   2HH1  ARG  11          2HH1      ARG  11   9.645   7.976   0.749
  116   1HH2  ARG  11          1HH2      ARG  11   7.596   6.955  -1.855
  117   2HH2  ARG  11          2HH2      ARG  11   9.223   7.046  -1.267
  118    H    ARG  12           H        ARG  12   6.494   2.486   3.355
  119    HA   ARG  12           HA       ARG  12   3.914   2.387   4.838
  120   1HB   ARG  12          2HB       ARG  12   5.862   0.536   4.169
  121   2HB   ARG  12          1HB       ARG  12   6.229   0.892   5.857
  122   1HG   ARG  12          2HG       ARG  12   3.452   0.687   5.817
  123   2HG   ARG  12          1HG       ARG  12   3.983  -0.596   4.729
  124   1HD   ARG  12          2HD       ARG  12   4.600  -1.853   6.505
  125   2HD   ARG  12          1HD       ARG  12   5.706  -0.570   7.036
  126    HE   ARG  12           HE       ARG  12   3.809   0.462   8.245
  127   1HH1  ARG  12          1HH2      ARG  12   4.011  -2.872   8.017
  128   2HH1  ARG  12          2HH2      ARG  12   2.403  -3.189   8.575
  129   1HH2  ARG  12          1HH1      ARG  12   1.441   0.142   8.512
  130   2HH2  ARG  12          2HH1      ARG  12   0.947  -1.482   8.856
  131    H    LYS  13           H        LYS  13   4.580   2.140   7.407
  132    HA   LYS  13           HA       LYS  13   6.267   4.531   8.069
  133   1HB   LYS  13          2HB       LYS  13   3.625   3.599   9.242
  134   2HB   LYS  13          1HB       LYS  13   4.556   4.973   9.835
  135   1HG   LYS  13          2HG       LYS  13   3.435   6.236   8.340
  136   2HG   LYS  13          1HG       LYS  13   4.365   5.416   7.084
  137   1HD   LYS  13          2HD       LYS  13   2.129   5.050   6.432
  138   2HD   LYS  13          1HD       LYS  13   2.560   3.558   7.266
  139   1HE   LYS  13          2HE       LYS  13   1.147   3.982   9.027
  140   2HE   LYS  13          1HE       LYS  13   1.448   5.731   8.974
  141   1HZ   LYS  13          1HZ       LYS  13   0.024   4.321   6.796
  142   2HZ   LYS  13          2HZ       LYS  13   0.062   5.987   7.123
  143   3HZ   LYS  13          3HZ       LYS  13  -0.805   4.939   8.141
  144   1HN   NH2  14          1HN       NH2  14   5.007   3.344  10.901
  145   2HN   NH2  14          2HN       NH2  14   6.232   2.256  11.339
  Start of MODEL    9
    1   1H    ILE   1          1HT       ILE   1 -10.227   8.904   0.151
    2   2H    ILE   1          2HT       ILE   1 -10.683   9.069  -1.476
    3   3H    ILE   1          3HT       ILE   1  -9.062   8.762  -1.074
    4    HA   ILE   1           HA       ILE   1 -11.083   6.820  -0.196
    5    HB   ILE   1           HB       ILE   1 -10.794   5.801  -2.529
    6   1HG1  ILE   1          2HG1      ILE   1 -10.205   8.563  -3.502
    7   2HG1  ILE   1          1HG1      ILE   1  -8.853   7.621  -2.870
    8   1HG2  ILE   1          1HG2      ILE   1 -12.847   6.651  -2.892
    9   2HG2  ILE   1          2HG2      ILE   1 -12.178   8.257  -3.180
   10   3HG2  ILE   1          3HG2      ILE   1 -12.577   7.749  -1.539
   11   1HD1  ILE   1          1HD1      ILE   1 -10.394   7.260  -5.354
   12   2HD1  ILE   1          2HD1      ILE   1 -10.141   5.771  -4.443
   13   3HD1  ILE   1          3HD1      ILE   1  -8.757   6.734  -4.958
   14    H    LEU   2           H        LEU   2 -10.035   4.709  -0.057
   15    HA   LEU   2           HA       LEU   2  -7.354   4.135  -0.804
   16   1HB   LEU   2          2HB       LEU   2  -6.377   4.471   1.567
   17   2HB   LEU   2          1HB       LEU   2  -6.641   5.922   0.600
   18    HG   LEU   2           HG       LEU   2  -9.030   5.181   2.092
   19   1HD1  LEU   2          1HD1      LEU   2  -7.679   4.326   3.829
   20   2HD1  LEU   2          2HD1      LEU   2  -7.937   6.007   4.296
   21   3HD1  LEU   2          3HD1      LEU   2  -6.414   5.522   3.552
   22   1HD2  LEU   2          1HD2      LEU   2  -8.224   7.640   2.975
   23   2HD2  LEU   2          2HD2      LEU   2  -9.127   7.378   1.483
   24   3HD2  LEU   2          3HD2      LEU   2  -7.372   7.541   1.435
   25    H    LYS   3           H        LYS   3  -8.022   2.006  -1.031
   26    HA   LYS   3           HA       LYS   3  -8.067   0.293   1.278
   27   1HB   LYS   3          2HB       LYS   3 -10.555  -0.306   0.989
   28   2HB   LYS   3          1HB       LYS   3 -10.203   1.246   1.750
   29   1HG   LYS   3          2HG       LYS   3 -10.885   2.465  -0.091
   30   2HG   LYS   3          1HG       LYS   3 -10.476   1.178  -1.226
   31   1HD   LYS   3          2HD       LYS   3 -12.415  -0.102  -0.592
   32   2HD   LYS   3          1HD       LYS   3 -12.766   0.992   0.746
   33   1HE   LYS   3          2HE       LYS   3 -14.047   2.223  -0.658
   34   2HE   LYS   3          1HE       LYS   3 -12.595   2.589  -1.612
   35   1HZ   LYS   3          1HZ       LYS   3 -13.755   1.415  -3.160
   36   2HZ   LYS   3          2HZ       LYS   3 -14.597   0.492  -2.009
   37   3HZ   LYS   3          3HZ       LYS   3 -12.985   0.115  -2.388
   38    H    LYS   4           H        LYS   4  -6.533  -0.385  -0.621
   39    HA   LYS   4           HA       LYS   4  -7.997  -2.372  -2.315
   40   1HB   LYS   4          2HB       LYS   4  -6.429  -0.032  -3.037
   41   2HB   LYS   4          1HB       LYS   4  -5.766  -1.493  -3.763
   42   1HG   LYS   4          2HG       LYS   4  -8.155  -2.044  -4.494
   43   2HG   LYS   4          1HG       LYS   4  -8.567  -0.390  -4.043
   44   1HD   LYS   4          2HD       LYS   4  -7.813   0.314  -6.040
   45   2HD   LYS   4          1HD       LYS   4  -6.198  -0.240  -5.595
   46   1HE   LYS   4          2HE       LYS   4  -8.003  -2.423  -6.419
   47   2HE   LYS   4          1HE       LYS   4  -7.642  -1.254  -7.706
   48   1HZ   LYS   4          1HZ       LYS   4  -5.664  -2.633  -5.969
   49   2HZ   LYS   4          2HZ       LYS   4  -5.281  -1.410  -7.084
   50   3HZ   LYS   4          3HZ       LYS   4  -5.900  -2.897  -7.626
   51    H    TRP   5           H        TRP   5  -7.136  -3.513  -0.253
   52    HA   TRP   5           HA       TRP   5  -5.600  -5.033   0.720
   53   1HB   TRP   5          2HB       TRP   5  -5.280  -5.130  -2.260
   54   2HB   TRP   5          1HB       TRP   5  -4.176  -6.077  -1.263
   55    HD1  TRP   5           HD       TRP   5  -7.461  -6.288  -2.846
   56    HE1  TRP   5           1HE      TRP   5  -8.842  -8.234  -1.868
   57    HE3  TRP   5           3HE      TRP   5  -4.682  -7.339   1.301
   58    HZ2  TRP   5           2HZ      TRP   5  -8.773 -10.005   0.378
   59    HZ3  TRP   5           3HZ      TRP   5  -5.360  -9.158   2.845
   60    HH2  TRP   5           HH       TRP   5  -7.400 -10.491   2.388
   61    HA   PRO   6           HA       PRO   6  -2.197  -2.066   1.066
   62   1HB   PRO   6          2HB       PRO   6  -1.558  -2.761   3.635
   63   2HB   PRO   6          1HB       PRO   6  -2.868  -1.634   3.231
   64   1HG   PRO   6          2HG       PRO   6  -3.011  -4.516   3.963
   65   2HG   PRO   6          1HG       PRO   6  -4.083  -3.182   4.419
   66   1HD   PRO   6          2HD       PRO   6  -4.688  -4.991   2.475
   67   2HD   PRO   6          1HD       PRO   6  -5.299  -3.322   2.482
   68    H    TRP   7           H        TRP   7  -1.069  -3.478  -0.511
   69    HA   TRP   7           HA       TRP   7   0.787  -5.424   0.819
   70   1HB   TRP   7          2HB       TRP   7  -1.018  -5.587  -1.467
   71   2HB   TRP   7          1HB       TRP   7   0.630  -6.039  -1.897
   72    HD1  TRP   7           HD       TRP   7  -2.416  -7.344  -0.251
   73    HE1  TRP   7           1HE      TRP   7  -1.935  -9.620   0.862
   74    HE3  TRP   7           3HE      TRP   7   2.684  -7.389  -0.507
   75    HZ2  TRP   7           2HZ      TRP   7   0.317 -11.245   1.551
   76    HZ3  TRP   7           3HZ      TRP   7   3.970  -9.311   0.384
   77    HH2  TRP   7           HH       TRP   7   2.795 -11.237   1.412
   78    H    TRP   8           H        TRP   8   1.674  -2.917   0.860
   79    HA   TRP   8           HA       TRP   8   3.807  -2.895  -1.197
   80   1HB   TRP   8          2HB       TRP   8   1.680  -1.516  -1.799
   81   2HB   TRP   8          1HB       TRP   8   2.253  -0.392  -0.566
   82    HD1  TRP   8           HD       TRP   8   4.042   1.279  -1.268
   83    HE1  TRP   8           1HE      TRP   8   5.552   1.591  -3.336
   84    HE3  TRP   8           3HE      TRP   8   3.003  -3.045  -3.768
   85    HZ2  TRP   8           2HZ      TRP   8   6.229   0.185  -5.737
   86    HZ3  TRP   8           3HZ      TRP   8   4.092  -3.537  -5.940
   87    HH2  TRP   8           HH       TRP   8   5.702  -1.929  -6.926
   88    HA   PRO   9           HA       PRO   9   5.619  -1.719   2.745
   89   1HB   PRO   9          2HB       PRO   9   8.008  -2.962   2.292
   90   2HB   PRO   9          1HB       PRO   9   6.561  -3.825   2.844
   91   1HG   PRO   9          2HG       PRO   9   7.856  -3.852   0.219
   92   2HG   PRO   9          1HG       PRO   9   6.755  -5.026   0.946
   93   1HD   PRO   9          2HD       PRO   9   6.151  -3.015  -0.998
   94   2HD   PRO   9          1HD       PRO   9   5.038  -4.178  -0.249
   95    H    TRP  10           H        TRP  10   5.585  -0.061   0.282
   96    HA   TRP  10           HA       TRP  10   8.339   1.070   0.304
   97   1HB   TRP  10          2HB       TRP  10   6.535   0.339  -1.701
   98   2HB   TRP  10          1HB       TRP  10   6.485   2.095  -1.679
   99    HD1  TRP  10           HD       TRP  10   9.082   3.268  -1.627
  100    HE1  TRP  10           1HE      TRP  10  11.113   2.566  -3.059
  101    HE3  TRP  10           3HE      TRP  10   7.640  -1.429  -2.901
  102    HZ2  TRP  10           2HZ      TRP  10  12.002   0.283  -4.555
  103    HZ3  TRP  10           3HZ      TRP  10   9.084  -2.865  -4.330
  104    HH2  TRP  10           HH       TRP  10  11.262  -2.011  -5.156
  105    H    ARG  11           H        ARG  11   5.052   2.365  -0.186
  106    HA   ARG  11           HA       ARG  11   5.718   4.569   1.708
  107   1HB   ARG  11          2HB       ARG  11   3.988   5.744   0.043
  108   2HB   ARG  11          1HB       ARG  11   5.707   5.685  -0.326
  109   1HG   ARG  11          2HG       ARG  11   5.430   4.002  -1.923
  110   2HG   ARG  11          1HG       ARG  11   3.915   3.441  -1.217
  111   1HD   ARG  11          2HD       ARG  11   2.664   4.995  -2.351
  112   2HD   ARG  11          1HD       ARG  11   3.920   6.244  -2.222
  113    HE   ARG  11           HE       ARG  11   5.146   5.083  -4.038
  114   1HH1  ARG  11          1HH2      ARG  11   2.979   2.761  -3.321
  115   2HH1  ARG  11          2HH2      ARG  11   2.262   2.627  -4.891
  116   1HH2  ARG  11          1HH1      ARG  11   3.761   5.505  -6.112
  117   2HH2  ARG  11          2HH1      ARG  11   2.705   4.179  -6.471
  118    H    ARG  12           H        ARG  12   4.587   2.652   3.002
  119    HA   ARG  12           HA       ARG  12   1.663   2.547   2.743
  120   1HB   ARG  12          2HB       ARG  12   3.314   0.710   3.481
  121   2HB   ARG  12          1HB       ARG  12   3.387   1.563   5.024
  122   1HG   ARG  12          2HG       ARG  12   0.750   1.468   4.842
  123   2HG   ARG  12          1HG       ARG  12   1.086   0.107   3.772
  124   1HD   ARG  12          2HD       ARG  12   2.749  -0.084   6.133
  125   2HD   ARG  12          1HD       ARG  12   1.040   0.049   6.594
  126    HE   ARG  12           HE       ARG  12   1.652  -1.805   4.373
  127   1HH1  ARG  12          1HH2      ARG  12  -0.474  -1.357   6.809
  128   2HH1  ARG  12          2HH2      ARG  12  -0.355  -2.940   7.503
  129   1HH2  ARG  12          1HH1      ARG  12   2.436  -3.831   5.647
  130   2HH2  ARG  12          2HH1      ARG  12   1.292  -4.340   6.845
  131    H    LYS  13           H        LYS  13   0.877   4.661   3.194
  132    HA   LYS  13           HA       LYS  13   1.438   5.679   5.960
  133   1HB   LYS  13          2HB       LYS  13   0.646   7.276   3.511
  134   2HB   LYS  13          1HB       LYS  13   1.300   7.893   5.029
  135   1HG   LYS  13          2HG       LYS  13   3.239   6.101   4.295
  136   2HG   LYS  13          1HG       LYS  13   2.706   6.702   2.725
  137   1HD   LYS  13          2HD       LYS  13   2.846   8.992   4.315
  138   2HD   LYS  13          1HD       LYS  13   4.267   8.054   4.782
  139   1HE   LYS  13          2HE       LYS  13   4.890   7.832   2.379
  140   2HE   LYS  13          1HE       LYS  13   3.502   8.852   1.950
  141   1HZ   LYS  13          1HZ       LYS  13   4.476  10.399   3.765
  142   2HZ   LYS  13          2HZ       LYS  13   5.160  10.412   2.209
  143   3HZ   LYS  13          3HZ       LYS  13   5.922   9.564   3.469
  144   1HN   NH2  14          1HN       NH2  14  -0.898   7.608   4.604
  145   2HN   NH2  14          2HN       NH2  14  -2.293   6.811   5.144
  Start of MODEL   10
    1   1H    ILE   1          1HT       ILE   1  -8.995  -7.892  -0.491
    2   2H    ILE   1          2HT       ILE   1  -8.224  -7.140   0.824
    3   3H    ILE   1          3HT       ILE   1  -8.020  -6.526  -0.747
    4    HA   ILE   1           HA       ILE   1 -10.288  -5.808  -0.855
    5    HB   ILE   1           HB       ILE   1 -11.332  -7.670   0.196
    6   1HG1  ILE   1          2HG1      ILE   1 -12.615  -6.629   2.100
    7   2HG1  ILE   1          1HG1      ILE   1 -11.523  -5.247   2.008
    8   1HG2  ILE   1          1HG2      ILE   1  -9.543  -8.459   1.595
    9   2HG2  ILE   1          2HG2      ILE   1 -10.912  -8.132   2.658
   10   3HG2  ILE   1          3HG2      ILE   1  -9.575  -6.987   2.565
   11   1HD1  ILE   1          1HD1      ILE   1 -12.957  -4.403   0.478
   12   2HD1  ILE   1          2HD1      ILE   1 -13.774  -5.954   0.274
   13   3HD1  ILE   1          3HD1      ILE   1 -12.299  -5.608  -0.629
   14    H    LEU   2           H        LEU   2 -11.095  -3.866   0.298
   15    HA   LEU   2           HA       LEU   2 -10.795  -1.900   1.579
   16   1HB   LEU   2          2HB       LEU   2 -10.021  -4.097   3.144
   17   2HB   LEU   2          1HB       LEU   2  -8.695  -2.945   3.309
   18    HG   LEU   2           HG       LEU   2 -11.187  -1.521   3.434
   19   1HD1  LEU   2          1HD1      LEU   2 -12.381  -3.363   4.248
   20   2HD1  LEU   2          2HD1      LEU   2 -11.790  -2.622   5.735
   21   3HD1  LEU   2          3HD1      LEU   2 -10.974  -4.036   5.070
   22   1HD2  LEU   2          1HD2      LEU   2  -9.607  -1.947   5.899
   23   2HD2  LEU   2          2HD2      LEU   2 -10.064  -0.441   5.101
   24   3HD2  LEU   2          3HD2      LEU   2  -8.680  -1.365   4.516
   25    H    LYS   3           H        LYS   3  -9.776  -0.619   0.030
   26    HA   LYS   3           HA       LYS   3  -8.003   0.618  -0.925
   27   1HB   LYS   3          2HB       LYS   3  -6.390  -0.614   1.329
   28   2HB   LYS   3          1HB       LYS   3  -6.107   0.934   0.529
   29   1HG   LYS   3          2HG       LYS   3  -8.585   1.427   1.347
   30   2HG   LYS   3          1HG       LYS   3  -8.190   0.197   2.550
   31   1HD   LYS   3          2HD       LYS   3  -6.406   2.577   1.983
   32   2HD   LYS   3          1HD       LYS   3  -7.653   2.586   3.233
   33   1HE   LYS   3          2HE       LYS   3  -5.593   0.376   3.142
   34   2HE   LYS   3          1HE       LYS   3  -5.250   1.914   3.961
   35   1HZ   LYS   3          1HZ       LYS   3  -7.141   1.668   5.329
   36   2HZ   LYS   3          2HZ       LYS   3  -6.349   0.166   5.375
   37   3HZ   LYS   3          3HZ       LYS   3  -7.739   0.368   4.419
   38    H    LYS   4           H        LYS   4  -8.429  -1.517  -2.395
   39    HA   LYS   4           HA       LYS   4  -7.532  -3.395  -3.528
   40   1HB   LYS   4          2HB       LYS   4  -6.184  -2.404  -5.131
   41   2HB   LYS   4          1HB       LYS   4  -6.977  -1.020  -4.413
   42   1HG   LYS   4          2HG       LYS   4  -4.746  -1.367  -2.802
   43   2HG   LYS   4          1HG       LYS   4  -4.139  -1.718  -4.420
   44   1HD   LYS   4          2HD       LYS   4  -5.050   0.411  -5.244
   45   2HD   LYS   4          1HD       LYS   4  -5.698   0.764  -3.641
   46   1HE   LYS   4          2HE       LYS   4  -3.666   1.430  -2.846
   47   2HE   LYS   4          1HE       LYS   4  -2.819   0.095  -3.654
   48   1HZ   LYS   4          1HZ       LYS   4  -3.727   2.659  -4.819
   49   2HZ   LYS   4          2HZ       LYS   4  -3.385   1.311  -5.794
   50   3HZ   LYS   4          3HZ       LYS   4  -2.166   1.995  -4.828
   51    H    TRP   5           H        TRP   5  -7.057  -4.161  -1.148
   52    HA   TRP   5           HA       TRP   5  -5.605  -5.377   0.287
   53   1HB   TRP   5          2HB       TRP   5  -4.750  -5.772  -2.550
   54   2HB   TRP   5          1HB       TRP   5  -3.711  -6.426  -1.283
   55    HD1  TRP   5           HD       TRP   5  -6.648  -7.293  -3.277
   56    HE1  TRP   5           1HE      TRP   5  -7.908  -9.296  -2.252
   57    HE3  TRP   5           3HE      TRP   5  -4.454  -7.447   1.326
   58    HZ2  TRP   5           2HZ      TRP   5  -7.974 -10.769   0.202
   59    HZ3  TRP   5           3HZ      TRP   5  -5.131  -9.157   2.989
   60    HH2  TRP   5           HH       TRP   5  -6.888 -10.816   2.433
   61    HA   PRO   6           HA       PRO   6  -2.615  -2.019   0.852
   62   1HB   PRO   6          2HB       PRO   6  -2.497  -2.285   3.572
   63   2HB   PRO   6          1HB       PRO   6  -3.772  -1.376   2.740
   64   1HG   PRO   6          2HG       PRO   6  -3.843  -4.123   3.879
   65   2HG   PRO   6          1HG       PRO   6  -5.093  -2.868   3.878
   66   1HD   PRO   6          2HD       PRO   6  -5.090  -4.999   2.171
   67   2HD   PRO   6          1HD       PRO   6  -5.844  -3.434   1.792
   68    H    TRP   7           H        TRP   7  -1.077  -3.526  -0.226
   69    HA   TRP   7           HA       TRP   7   0.719  -4.857   1.768
   70   1HB   TRP   7          2HB       TRP   7  -0.815  -5.945  -0.465
   71   2HB   TRP   7          1HB       TRP   7   0.905  -6.315  -0.596
   72    HD1  TRP   7           HD       TRP   7  -2.187  -7.151   1.368
   73    HE1  TRP   7           1HE      TRP   7  -1.639  -8.962   3.119
   74    HE3  TRP   7           3HE      TRP   7   2.906  -7.201   1.014
   75    HZ2  TRP   7           2HZ      TRP   7   0.660 -10.260   4.224
   76    HZ3  TRP   7           3HZ      TRP   7   4.249  -8.731   2.427
   77    HH2  TRP   7           HH       TRP   7   3.134 -10.259   4.030
   78    H    TRP   8           H        TRP   8   1.449  -2.417   1.119
   79    HA   TRP   8           HA       TRP   8   3.466  -2.722  -1.063
   80   1HB   TRP   8          2HB       TRP   8   1.360  -1.184  -1.329
   81   2HB   TRP   8          1HB       TRP   8   2.246  -0.094  -0.263
   82    HD1  TRP   8           HD       TRP   8   3.994   1.406  -1.353
   83    HE1  TRP   8           1HE      TRP   8   5.131   1.518  -3.665
   84    HE3  TRP   8           3HE      TRP   8   2.199  -2.901  -3.425
   85    HZ2  TRP   8           2HZ      TRP   8   5.263  -0.020  -6.074
   86    HZ3  TRP   8           3HZ      TRP   8   2.845  -3.554  -5.727
   87    HH2  TRP   8           HH       TRP   8   4.374  -2.121  -7.052
   88    HA   PRO   9           HA       PRO   9   5.938  -1.646   2.528
   89   1HB   PRO   9          2HB       PRO   9   8.178  -2.968   1.692
   90   2HB   PRO   9          1HB       PRO   9   6.809  -3.784   2.467
   91   1HG   PRO   9          2HG       PRO   9   7.657  -3.820  -0.338
   92   2HG   PRO   9          1HG       PRO   9   6.663  -4.975   0.556
   93   1HD   PRO   9          2HD       PRO   9   5.787  -2.950  -1.253
   94   2HD   PRO   9          1HD       PRO   9   4.786  -4.070  -0.307
   95    H    TRP  10           H        TRP  10   5.587  -0.033   0.021
   96    HA   TRP  10           HA       TRP  10   8.330   1.045  -0.367
   97   1HB   TRP  10          2HB       TRP  10   6.236   0.350  -2.066
   98   2HB   TRP  10          1HB       TRP  10   6.179   2.107  -2.022
   99    HD1  TRP  10           HD       TRP  10   8.752   3.290  -2.360
  100    HE1  TRP  10           1HE      TRP  10  10.526   2.619  -4.115
  101    HE3  TRP  10           3HE      TRP  10   7.124  -1.389  -3.466
  102    HZ2  TRP  10           2HZ      TRP  10  11.159   0.365  -5.778
  103    HZ3  TRP  10           3HZ      TRP  10   8.315  -2.794  -5.137
  104    HH2  TRP  10           HH       TRP  10  10.330  -1.919  -6.292
  105    H    ARG  11           H        ARG  11   4.982   2.100   0.226
  106    HA   ARG  11           HA       ARG  11   6.066   4.634   1.390
  107   1HB   ARG  11          2HB       ARG  11   3.895   3.956  -0.495
  108   2HB   ARG  11          1HB       ARG  11   3.442   5.121   0.748
  109   1HG   ARG  11          2HG       ARG  11   6.061   5.522  -0.624
  110   2HG   ARG  11          1HG       ARG  11   4.598   5.891  -1.538
  111   1HD   ARG  11          2HD       ARG  11   4.558   7.893  -0.470
  112   2HD   ARG  11          1HD       ARG  11   4.176   7.008   1.021
  113    HE   ARG  11           HE       ARG  11   6.833   6.659   0.980
  114   1HH1  ARG  11          1HH1      ARG  11   4.866   9.298   1.519
  115   2HH1  ARG  11          2HH1      ARG  11   6.116  10.492   1.398
  116   1HH2  ARG  11          1HH2      ARG  11   8.504   8.255   0.246
  117   2HH2  ARG  11          2HH2      ARG  11   8.175   9.901   0.677
  118    H    ARG  12           H        ARG  12   6.108   2.772   3.201
  119    HA   ARG  12           HA       ARG  12   3.614   2.135   4.523
  120   1HB   ARG  12          2HB       ARG  12   6.290   1.390   4.631
  121   2HB   ARG  12          1HB       ARG  12   6.038   2.211   6.172
  122   1HG   ARG  12          2HG       ARG  12   4.375   0.707   6.853
  123   2HG   ARG  12          1HG       ARG  12   4.035   0.188   5.201
  124   1HD   ARG  12          2HD       ARG  12   5.301  -1.549   6.471
  125   2HD   ARG  12          1HD       ARG  12   6.243  -0.935   5.098
  126    HE   ARG  12           HE       ARG  12   7.236   0.707   6.842
  127   1HH1  ARG  12          1HH2      ARG  12   7.188  -2.626   6.948
  128   2HH1  ARG  12          2HH2      ARG  12   7.679  -2.767   8.602
  129   1HH2  ARG  12          1HH1      ARG  12   7.375   0.625   9.258
  130   2HH2  ARG  12          2HH1      ARG  12   7.784  -0.927   9.910
  131    H    LYS  13           H        LYS  13   2.444   4.062   4.968
  132    HA   LYS  13           HA       LYS  13   3.234   5.528   7.350
  133   1HB   LYS  13          2HB       LYS  13   4.730   6.565   5.720
  134   2HB   LYS  13          1HB       LYS  13   3.381   6.853   4.622
  135   1HG   LYS  13          2HG       LYS  13   2.788   8.737   5.711
  136   2HG   LYS  13          1HG       LYS  13   2.849   7.928   7.277
  137   1HD   LYS  13          2HD       LYS  13   4.982   8.620   7.702
  138   2HD   LYS  13          1HD       LYS  13   5.477   8.455   6.017
  139   1HE   LYS  13          2HE       LYS  13   4.557  10.571   5.424
  140   2HE   LYS  13          1HE       LYS  13   3.618  10.668   6.926
  141   1HZ   LYS  13          1HZ       LYS  13   5.424  11.855   7.581
  142   2HZ   LYS  13          2HZ       LYS  13   6.478  11.083   6.494
  143   3HZ   LYS  13          3HZ       LYS  13   6.022  10.309   7.937
  144   1HN   NH2  14          1HN       NH2  14   1.090   5.302   8.172
  145   2HN   NH2  14          2HN       NH2  14  -0.291   5.909   7.393
  Start of MODEL   11
    1   1H    ILE   1          1HT       ILE   1 -10.935   7.688  -5.183
    2   2H    ILE   1          2HT       ILE   1  -9.550   6.987  -5.875
    3   3H    ILE   1          3HT       ILE   1  -9.471   7.683  -4.327
    4    HA   ILE   1           HA       ILE   1 -11.175   5.965  -3.612
    5    HB   ILE   1           HB       ILE   1 -10.204   4.708  -6.192
    6   1HG1  ILE   1          2HG1      ILE   1 -11.510   6.685  -6.775
    7   2HG1  ILE   1          1HG1      ILE   1 -12.490   5.246  -7.062
    8   1HG2  ILE   1          1HG2      ILE   1 -12.639   3.619  -5.483
    9   2HG2  ILE   1          2HG2      ILE   1 -11.877   3.897  -3.916
   10   3HG2  ILE   1          3HG2      ILE   1 -11.068   2.901  -5.126
   11   1HD1  ILE   1          1HD1      ILE   1 -12.633   7.090  -4.661
   12   2HD1  ILE   1          2HD1      ILE   1 -13.505   5.561  -4.784
   13   3HD1  ILE   1          3HD1      ILE   1 -13.864   6.874  -5.905
   14    H    LEU   2           H        LEU   2 -10.265   3.750  -2.912
   15    HA   LEU   2           HA       LEU   2  -7.525   3.037  -3.265
   16   1HB   LEU   2          2HB       LEU   2  -7.906   5.406  -1.822
   17   2HB   LEU   2          1HB       LEU   2  -7.603   4.188  -0.582
   18    HG   LEU   2           HG       LEU   2  -5.809   3.834  -2.835
   19   1HD1  LEU   2          1HD1      LEU   2  -4.573   5.878  -2.725
   20   2HD1  LEU   2          2HD1      LEU   2  -5.511   6.451  -1.345
   21   3HD1  LEU   2          3HD1      LEU   2  -6.260   6.348  -2.938
   22   1HD2  LEU   2          1HD2      LEU   2  -4.314   3.391  -1.140
   23   2HD2  LEU   2          2HD2      LEU   2  -5.803   3.235  -0.208
   24   3HD2  LEU   2          3HD2      LEU   2  -4.879   4.736  -0.150
   25    H    LYS   3           H        LYS   3  -8.211   0.910  -3.055
   26    HA   LYS   3           HA       LYS   3  -8.542  -0.179  -0.394
   27   1HB   LYS   3          2HB       LYS   3 -10.932  -0.919  -0.795
   28   2HB   LYS   3          1HB       LYS   3 -10.739   0.823  -0.595
   29   1HG   LYS   3          2HG       LYS   3 -10.809   1.163  -2.996
   30   2HG   LYS   3          1HG       LYS   3 -10.823  -0.578  -3.281
   31   1HD   LYS   3          2HD       LYS   3 -13.087  -0.228  -3.395
   32   2HD   LYS   3          1HD       LYS   3 -12.955  -0.395  -1.643
   33   1HE   LYS   3          2HE       LYS   3 -13.521   1.780  -1.306
   34   2HE   LYS   3          1HE       LYS   3 -12.394   2.339  -2.558
   35   1HZ   LYS   3          1HZ       LYS   3 -15.132   1.267  -2.915
   36   2HZ   LYS   3          2HZ       LYS   3 -14.019   1.341  -4.197
   37   3HZ   LYS   3          3HZ       LYS   3 -14.523   2.766  -3.421
   38    H    LYS   4           H        LYS   4  -6.711  -1.167  -1.899
   39    HA   LYS   4           HA       LYS   4  -7.853  -3.637  -3.141
   40   1HB   LYS   4          2HB       LYS   4  -6.381  -1.428  -4.319
   41   2HB   LYS   4          1HB       LYS   4  -5.541  -2.955  -4.571
   42   1HG   LYS   4          2HG       LYS   4  -8.350  -3.364  -5.003
   43   2HG   LYS   4          1HG       LYS   4  -7.822  -1.979  -5.962
   44   1HD   LYS   4          2HD       LYS   4  -6.865  -3.377  -7.439
   45   2HD   LYS   4          1HD       LYS   4  -5.802  -3.978  -6.165
   46   1HE   LYS   4          2HE       LYS   4  -8.633  -4.997  -6.354
   47   2HE   LYS   4          1HE       LYS   4  -7.359  -5.696  -7.372
   48   1HZ   LYS   4          1HZ       LYS   4  -7.271  -6.908  -5.379
   49   2HZ   LYS   4          2HZ       LYS   4  -7.449  -5.520  -4.416
   50   3HZ   LYS   4          3HZ       LYS   4  -5.998  -5.796  -5.255
   51    H    TRP   5           H        TRP   5  -7.149  -4.151  -0.797
   52    HA   TRP   5           HA       TRP   5  -5.639  -5.251   0.660
   53   1HB   TRP   5          2HB       TRP   5  -5.012  -6.022  -2.155
   54   2HB   TRP   5          1HB       TRP   5  -3.876  -6.531  -0.905
   55    HD1  TRP   5           HD       TRP   5  -6.967  -7.598  -2.530
   56    HE1  TRP   5           1HE      TRP   5  -8.160  -9.421  -1.152
   57    HE3  TRP   5           3HE      TRP   5  -4.427  -7.173   1.875
   58    HZ2  TRP   5           2HZ      TRP   5  -8.051 -10.550   1.475
   59    HZ3  TRP   5           3HZ      TRP   5  -4.989  -8.632   3.799
   60    HH2  TRP   5           HH       TRP   5  -6.796 -10.319   3.604
   61    HA   PRO   6           HA       PRO   6  -2.522  -1.976   0.650
   62   1HB   PRO   6          2HB       PRO   6  -2.163  -1.998   3.362
   63   2HB   PRO   6          1HB       PRO   6  -3.491  -1.133   2.566
   64   1HG   PRO   6          2HG       PRO   6  -3.511  -3.760   3.961
   65   2HG   PRO   6          1HG       PRO   6  -4.734  -2.481   3.946
   66   1HD   PRO   6          2HD       PRO   6  -4.909  -4.765   2.456
   67   2HD   PRO   6          1HD       PRO   6  -5.680  -3.229   2.005
   68    H    TRP   7           H        TRP   7  -1.109  -3.605  -0.417
   69    HA   TRP   7           HA       TRP   7   0.724  -4.958   1.537
   70   1HB   TRP   7          2HB       TRP   7  -0.872  -5.943  -0.659
   71   2HB   TRP   7          1HB       TRP   7   0.836  -6.234  -0.982
   72    HD1  TRP   7           HD       TRP   7  -1.957  -7.123   1.451
   73    HE1  TRP   7           1HE      TRP   7  -1.205  -9.124   2.892
   74    HE3  TRP   7           3HE      TRP   7   2.927  -7.469  -0.001
   75    HZ2  TRP   7           2HZ      TRP   7   1.156 -10.666   3.366
   76    HZ3  TRP   7           3HZ      TRP   7   4.404  -9.211   0.961
   77    HH2  TRP   7           HH       TRP   7   3.526 -10.810   2.642
   78    H    TRP   8           H        TRP   8   1.435  -2.469   0.970
   79    HA   TRP   8           HA       TRP   8   3.493  -2.690  -1.186
   80   1HB   TRP   8          2HB       TRP   8   1.411  -1.121  -1.400
   81   2HB   TRP   8          1HB       TRP   8   2.270  -0.107  -0.240
   82    HD1  TRP   8           HD       TRP   8   4.047   1.456  -1.179
   83    HE1  TRP   8           1HE      TRP   8   5.237   1.728  -3.449
   84    HE3  TRP   8           3HE      TRP   8   2.291  -2.684  -3.596
   85    HZ2  TRP   8           2HZ      TRP   8   5.422   0.368  -5.960
   86    HZ3  TRP   8           3HZ      TRP   8   2.989  -3.173  -5.923
   87    HH2  TRP   8           HH       TRP   8   4.552  -1.654  -7.107
   88    HA   PRO   9           HA       PRO   9   5.937  -1.877   2.492
   89   1HB   PRO   9          2HB       PRO   9   8.186  -3.126   1.578
   90   2HB   PRO   9          1HB       PRO   9   6.810  -4.000   2.271
   91   1HG   PRO   9          2HG       PRO   9   7.686  -3.808  -0.521
   92   2HG   PRO   9          1HG       PRO   9   6.694  -5.038   0.270
   93   1HD   PRO   9          2HD       PRO   9   5.816  -2.888  -1.384
   94   2HD   PRO   9          1HD       PRO   9   4.815  -4.077  -0.525
   95    H    TRP  10           H        TRP  10   5.612  -0.027   0.167
   96    HA   TRP  10           HA       TRP  10   8.374   1.051  -0.086
   97   1HB   TRP  10          2HB       TRP  10   6.313   0.510  -1.892
   98   2HB   TRP  10          1HB       TRP  10   6.302   2.259  -1.726
   99    HD1  TRP  10           HD       TRP  10   8.905   3.400  -1.925
  100    HE1  TRP  10           1HE      TRP  10  10.721   2.792  -3.657
  101    HE3  TRP  10           3HE      TRP  10   7.220  -1.170  -3.354
  102    HZ2  TRP  10           2HZ      TRP  10  11.366   0.624  -5.425
  103    HZ3  TRP  10           3HZ      TRP  10   8.439  -2.503  -5.063
  104    HH2  TRP  10           HH       TRP  10  10.510  -1.608  -6.098
  105    H    ARG  11           H        ARG  11   5.085   2.426  -0.033
  106    HA   ARG  11           HA       ARG  11   6.044   4.462   1.921
  107   1HB   ARG  11          2HB       ARG  11   4.157   5.797   0.570
  108   2HB   ARG  11          1HB       ARG  11   5.824   5.748   0.007
  109   1HG   ARG  11          2HG       ARG  11   5.335   4.169  -1.662
  110   2HG   ARG  11          1HG       ARG  11   3.861   3.632  -0.857
  111   1HD   ARG  11          2HD       ARG  11   4.131   6.459  -1.905
  112   2HD   ARG  11          1HD       ARG  11   3.546   5.134  -2.932
  113    HE   ARG  11           HE       ARG  11   2.055   4.823  -0.641
  114   1HH1  ARG  11          1HH2      ARG  11   0.948   5.890  -3.268
  115   2HH1  ARG  11          2HH2      ARG  11   0.240   7.385  -2.752
  116   1HH2  ARG  11          1HH1      ARG  11   1.923   7.443   0.279
  117   2HH2  ARG  11          2HH1      ARG  11   0.792   8.264  -0.745
  118    H    ARG  12           H        ARG  12   5.017   2.482   3.200
  119    HA   ARG  12           HA       ARG  12   2.234   2.006   3.297
  120   1HB   ARG  12          2HB       ARG  12   2.771   1.382   5.691
  121   2HB   ARG  12          1HB       ARG  12   3.855   0.667   4.498
  122   1HG   ARG  12          2HG       ARG  12   5.646   1.783   5.307
  123   2HG   ARG  12          1HG       ARG  12   4.755   3.305   5.383
  124   1HD   ARG  12          2HD       ARG  12   3.816   2.748   7.530
  125   2HD   ARG  12          1HD       ARG  12   4.411   1.079   7.420
  126    HE   ARG  12           HE       ARG  12   6.556   3.015   7.126
  127   1HH1  ARG  12          1HH2      ARG  12   4.554   3.048   9.691
  128   2HH1  ARG  12          2HH2      ARG  12   5.660   2.390  10.850
  129   1HH2  ARG  12          1HH1      ARG  12   7.992   1.426   8.471
  130   2HH2  ARG  12          2HH1      ARG  12   7.607   1.472  10.160
  131    H    LYS  13           H        LYS  13   0.761   2.775   5.139
  132    HA   LYS  13           HA       LYS  13   1.078   5.733   5.487
  133   1HB   LYS  13          2HB       LYS  13  -1.315   3.875   5.352
  134   2HB   LYS  13          1HB       LYS  13  -1.440   5.593   5.737
  135   1HG   LYS  13          2HG       LYS  13   0.197   5.198   3.378
  136   2HG   LYS  13          1HG       LYS  13  -1.384   4.441   3.171
  137   1HD   LYS  13          2HD       LYS  13  -2.040   6.543   2.584
  138   2HD   LYS  13          1HD       LYS  13  -2.102   6.802   4.327
  139   1HE   LYS  13          2HE       LYS  13  -0.770   8.605   3.538
  140   2HE   LYS  13          1HE       LYS  13   0.427   7.418   4.094
  141   1HZ   LYS  13          1HZ       LYS  13   0.885   6.731   1.967
  142   2HZ   LYS  13          2HZ       LYS  13   0.587   8.382   1.693
  143   3HZ   LYS  13          3HZ       LYS  13  -0.616   7.230   1.353
  144   1HN   NH2  14          1HN       NH2  14  -1.415   4.717   7.443
  145   2HN   NH2  14          2HN       NH2  14  -0.580   4.524   8.905
  Start of MODEL   12
    1   1H    ILE   1          1HT       ILE   1  -6.819   3.768   2.905
    2   2H    ILE   1          2HT       ILE   1  -6.086   3.391   4.391
    3   3H    ILE   1          3HT       ILE   1  -7.632   4.096   4.357
    4    HA   ILE   1           HA       ILE   1  -6.858   1.319   3.984
    5    HB   ILE   1           HB       ILE   1  -9.287   2.892   4.895
    6   1HG1  ILE   1          2HG1      ILE   1  -8.024   1.306   6.922
    7   2HG1  ILE   1          1HG1      ILE   1  -6.786   2.275   6.122
    8   1HG2  ILE   1          1HG2      ILE   1  -9.878   0.610   5.929
    9   2HG2  ILE   1          2HG2      ILE   1  -8.705  -0.072   4.804
   10   3HG2  ILE   1          3HG2      ILE   1 -10.122   0.781   4.191
   11   1HD1  ILE   1          1HD1      ILE   1  -8.880   3.124   7.948
   12   2HD1  ILE   1          2HD1      ILE   1  -8.962   4.014   6.428
   13   3HD1  ILE   1          3HD1      ILE   1  -7.473   4.020   7.372
   14    H    LEU   2           H        LEU   2  -8.575  -0.073   2.861
   15    HA   LEU   2           HA       LEU   2  -9.811  -0.632   0.925
   16   1HB   LEU   2          2HB       LEU   2 -10.826   1.705   1.936
   17   2HB   LEU   2          1HB       LEU   2 -10.389   2.204   0.300
   18    HG   LEU   2           HG       LEU   2 -11.571  -0.235  -0.153
   19   1HD1  LEU   2          1HD1      LEU   2 -12.290   0.452   2.478
   20   2HD1  LEU   2          2HD1      LEU   2 -13.040  -0.782   1.466
   21   3HD1  LEU   2          3HD1      LEU   2 -13.696   0.856   1.492
   22   1HD2  LEU   2          1HD2      LEU   2 -13.360   1.041  -1.115
   23   2HD2  LEU   2          2HD2      LEU   2 -11.913   2.039  -1.259
   24   3HD2  LEU   2          3HD2      LEU   2 -13.094   2.377   0.006
   25    H    LYS   3           H        LYS   3  -8.114  -1.288  -0.409
   26    HA   LYS   3           HA       LYS   3  -7.538   0.242  -2.758
   27   1HB   LYS   3          2HB       LYS   3  -5.082   0.688  -2.109
   28   2HB   LYS   3          1HB       LYS   3  -6.298   1.719  -1.356
   29   1HG   LYS   3          2HG       LYS   3  -6.305   0.206   0.628
   30   2HG   LYS   3          1HG       LYS   3  -5.007  -0.729  -0.117
   31   1HD   LYS   3          2HD       LYS   3  -4.660   2.234   0.167
   32   2HD   LYS   3          1HD       LYS   3  -4.443   1.214   1.589
   33   1HE   LYS   3          2HE       LYS   3  -2.359   0.717   0.859
   34   2HE   LYS   3          1HE       LYS   3  -3.077  -0.059  -0.567
   35   1HZ   LYS   3          1HZ       LYS   3  -2.004   1.628  -1.614
   36   2HZ   LYS   3          2HZ       LYS   3  -2.029   2.649  -0.258
   37   3HZ   LYS   3          3HZ       LYS   3  -3.420   2.473  -1.217
   38    H    LYS   4           H        LYS   4  -8.140  -2.144  -3.166
   39    HA   LYS   4           HA       LYS   4  -7.585  -4.406  -3.511
   40   1HB   LYS   4          2HB       LYS   4  -5.161  -3.117  -4.728
   41   2HB   LYS   4          1HB       LYS   4  -6.190  -4.384  -5.376
   42   1HG   LYS   4          2HG       LYS   4  -7.961  -2.298  -5.072
   43   2HG   LYS   4          1HG       LYS   4  -6.483  -1.479  -5.578
   44   1HD   LYS   4          2HD       LYS   4  -6.716  -2.227  -7.688
   45   2HD   LYS   4          1HD       LYS   4  -6.876  -3.891  -7.128
   46   1HE   LYS   4          2HE       LYS   4  -9.290  -3.413  -6.583
   47   2HE   LYS   4          1HE       LYS   4  -9.094  -1.829  -7.360
   48   1HZ   LYS   4          1HZ       LYS   4  -8.550  -4.471  -8.613
   49   2HZ   LYS   4          2HZ       LYS   4  -8.280  -2.964  -9.349
   50   3HZ   LYS   4          3HZ       LYS   4  -9.862  -3.455  -8.968
   51    H    TRP   5           H        TRP   5  -7.056  -4.438  -1.059
   52    HA   TRP   5           HA       TRP   5  -5.656  -5.261   0.665
   53   1HB   TRP   5          2HB       TRP   5  -4.791  -6.474  -1.921
   54   2HB   TRP   5          1HB       TRP   5  -3.749  -6.728  -0.522
   55    HD1  TRP   5           HD       TRP   5  -6.646  -8.186  -2.174
   56    HE1  TRP   5           1HE      TRP   5  -7.916  -9.783  -0.599
   57    HE3  TRP   5           3HE      TRP   5  -4.547  -6.871   2.285
   58    HZ2  TRP   5           2HZ      TRP   5  -8.027 -10.419   2.190
   59    HZ3  TRP   5           3HZ      TRP   5  -5.250  -7.985   4.386
   60    HH2  TRP   5           HH       TRP   5  -6.987  -9.755   4.344
   61    HA   PRO   6           HA       PRO   6  -2.612  -1.940   0.368
   62   1HB   PRO   6          2HB       PRO   6  -2.423  -1.566   3.071
   63   2HB   PRO   6          1HB       PRO   6  -3.722  -0.869   2.083
   64   1HG   PRO   6          2HG       PRO   6  -3.761  -3.275   3.833
   65   2HG   PRO   6          1HG       PRO   6  -5.011  -2.050   3.569
   66   1HD   PRO   6          2HD       PRO   6  -5.045  -4.522   2.406
   67   2HD   PRO   6          1HD       PRO   6  -5.815  -3.086   1.695
   68    H    TRP   7           H        TRP   7  -1.096  -3.659  -0.369
   69    HA   TRP   7           HA       TRP   7   0.655  -4.640   1.861
   70   1HB   TRP   7          2HB       TRP   7  -0.769  -5.993  -0.272
   71   2HB   TRP   7          1HB       TRP   7   0.962  -6.304  -0.382
   72    HD1  TRP   7           HD       TRP   7  -2.084  -7.064   1.695
   73    HE1  TRP   7           1HE      TRP   7  -1.452  -8.697   3.587
   74    HE3  TRP   7           3HE      TRP   7   3.004  -7.000   1.254
   75    HZ2  TRP   7           2HZ      TRP   7   0.900  -9.827   4.759
   76    HZ3  TRP   7           3HZ      TRP   7   4.414  -8.362   2.770
   77    HH2  TRP   7           HH       TRP   7   3.369  -9.775   4.519
   78    H    TRP   8           H        TRP   8   1.333  -2.244   0.948
   79    HA   TRP   8           HA       TRP   8   3.421  -2.681  -1.142
   80   1HB   TRP   8          2HB       TRP   8   1.386  -1.038  -1.373
   81   2HB   TRP   8          1HB       TRP   8   2.335  -0.006  -0.302
   82    HD1  TRP   8           HD       TRP   8   4.133   1.431  -1.399
   83    HE1  TRP   8           1HE      TRP   8   5.259   1.509  -3.717
   84    HE3  TRP   8           3HE      TRP   8   2.133  -2.774  -3.491
   85    HZ2  TRP   8           2HZ      TRP   8   5.303  -0.013  -6.140
   86    HZ3  TRP   8           3HZ      TRP   8   2.732  -3.437  -5.803
   87    HH2  TRP   8           HH       TRP   8   4.314  -2.063  -7.128
   88    HA   PRO   9           HA       PRO   9   5.972  -1.791   2.441
   89   1HB   PRO   9          2HB       PRO   9   8.189  -3.077   1.503
   90   2HB   PRO   9          1HB       PRO   9   6.825  -3.926   2.250
   91   1HG   PRO   9          2HG       PRO   9   7.627  -3.792  -0.570
   92   2HG   PRO   9          1HG       PRO   9   6.665  -5.011   0.275
   93   1HD   PRO   9          2HD       PRO   9   5.722  -2.918  -1.404
   94   2HD   PRO   9          1HD       PRO   9   4.753  -4.070  -0.461
   95    H    TRP  10           H        TRP  10   5.612  -0.025   0.036
   96    HA   TRP  10           HA       TRP  10   8.367   1.062  -0.263
   97   1HB   TRP  10          2HB       TRP  10   6.322   0.417  -2.045
   98   2HB   TRP  10          1HB       TRP  10   6.266   2.172  -1.947
   99    HD1  TRP  10           HD       TRP  10   8.835   3.365  -2.189
  100    HE1  TRP  10           1HE      TRP  10  10.666   2.740  -3.902
  101    HE3  TRP  10           3HE      TRP  10   7.263  -1.293  -3.443
  102    HZ2  TRP  10           2HZ      TRP  10  11.362   0.523  -5.592
  103    HZ3  TRP  10           3HZ      TRP  10   8.513  -2.660  -5.106
  104    HH2  TRP  10           HH       TRP  10  10.558  -1.754  -6.179
  105    H    ARG  11           H        ARG  11   4.994   2.076   0.254
  106    HA   ARG  11           HA       ARG  11   6.020   4.573   1.548
  107   1HB   ARG  11          2HB       ARG  11   3.918   3.946  -0.429
  108   2HB   ARG  11          1HB       ARG  11   3.401   5.045   0.848
  109   1HG   ARG  11          2HG       ARG  11   6.066   5.593  -0.339
  110   2HG   ARG  11          1HG       ARG  11   4.674   5.889  -1.382
  111   1HD   ARG  11          2HD       ARG  11   3.692   7.128   0.721
  112   2HD   ARG  11          1HD       ARG  11   5.392   7.214   1.223
  113    HE   ARG  11           HE       ARG  11   5.768   8.144  -1.182
  114   1HH1  ARG  11          1HH2      ARG  11   3.446   9.014   1.143
  115   2HH1  ARG  11          2HH2      ARG  11   2.728  10.266   0.187
  116   1HH2  ARG  11          1HH1      ARG  11   4.608   9.550  -2.637
  117   2HH2  ARG  11          2HH1      ARG  11   3.387  10.570  -1.955
  118    H    ARG  12           H        ARG  12   6.031   2.640   3.285
  119    HA   ARG  12           HA       ARG  12   4.058   3.299   5.260
  120   1HB   ARG  12          2HB       ARG  12   2.992   1.794   3.275
  121   2HB   ARG  12          1HB       ARG  12   3.585   0.512   4.332
  122   1HG   ARG  12          2HG       ARG  12   1.664   0.803   5.494
  123   2HG   ARG  12          1HG       ARG  12   2.411   2.279   6.109
  124   1HD   ARG  12          2HD       ARG  12   1.481   3.445   4.014
  125   2HD   ARG  12          1HD       ARG  12   0.479   1.995   3.796
  126    HE   ARG  12           HE       ARG  12  -0.351   2.403   6.154
  127   1HH1  ARG  12          1HH2      ARG  12  -1.042   4.609   4.039
  128   2HH1  ARG  12          2HH2      ARG  12  -0.859   6.022   5.025
  129   1HH2  ARG  12          1HH1      ARG  12   0.817   4.361   7.564
  130   2HH2  ARG  12          2HH1      ARG  12   0.193   5.881   7.020
  131    H    LYS  13           H        LYS  13   6.341   3.318   6.178
  132    HA   LYS  13           HA       LYS  13   7.478   0.634   6.753
  133   1HB   LYS  13          2HB       LYS  13   8.424   3.446   7.403
  134   2HB   LYS  13          1HB       LYS  13   9.381   1.973   7.553
  135   1HG   LYS  13          2HG       LYS  13   8.737   1.651   5.015
  136   2HG   LYS  13          1HG       LYS  13   8.477   3.394   5.072
  137   1HD   LYS  13          2HD       LYS  13  10.880   3.143   6.381
  138   2HD   LYS  13          1HD       LYS  13  10.995   1.873   5.161
  139   1HE   LYS  13          2HE       LYS  13  10.212   3.645   3.464
  140   2HE   LYS  13          1HE       LYS  13  10.571   4.839   4.728
  141   1HZ   LYS  13          1HZ       LYS  13  12.786   3.858   4.951
  142   2HZ   LYS  13          2HZ       LYS  13  12.528   4.450   3.379
  143   3HZ   LYS  13          3HZ       LYS  13  12.446   2.781   3.684
  144   1HN   NH2  14          1HN       NH2  14   4.908   1.410   8.060
  145   2HN   NH2  14          2HN       NH2  14   5.216   1.462   9.729