*HEADER    ANTIMICROBIAL PROTEIN                   14-AUG-04   1X7K              
*TITLE     PV5 NMR SOLUTION STRUCTURE                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: POLYPHEMUSIN I;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PV5;                                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED                
*SOURCE   4 USING FMOC SOLID STATE SYNTHESIS. THE SEQUENCE OF THE                
*SOURCE   5 PEPTIDE IS NATURALLY FOUND IN LIMULUS POLYPHEMUS (ATLANTIC           
*SOURCE   6 HORSESHOE CRAB).                                                     
*KEYWDS    PV5, POLYPHEMUSIN VARIANT, BETA HAIRPIN, DISULFIDE BRIDGE,            
*KEYWDS   2 ANTIMICROBIAL PEPTIDE                                                
*EXPDTA    NMR, 16 STRUCTURES                                                    
*AUTHOR    J.P.S.POWERS, R.E.W.HANCOCK                                           
*REVDAT   1   26-JUL-05 1X7K    0                                                

NOE>   @pv5noesy.78.rstrnt                           {*Read NOE distance ranges.*} 
 ASSFIL: file pv5noesy.78.rstrnt opened.
 NOE>assign ( resid   2 and name HN   ) (resid   1 and name HA   ) 2.4 0.3 0.3 
 NOE>assign ( resid   2 and name HN   ) (resid   1 and name HB*  ) 4.5 1.0 1.0 
 NOE>assign ( resid   2 and name HN   ) (resid   2 and name HB*  ) 3.2 0.8 0.8 
 NOE>assign ( resid   3 and name HN   ) (resid   2 and name HA   ) 2.1 0.2 0.2 
 NOE>assign ( resid   3 and name HN   ) (resid   2 and name HG*  ) 4.8 1.0 1.1 
 NOE>assign ( resid   3 and name HN   ) (resid   3 and name HB1  ) 3.7 1.2 1.2 
 NOE>assign ( resid   3 and name HN   ) (resid   3 and name HB2  ) 3.7 1.2 1.2 
 NOE>assign ( resid   3 and name HN   ) (resid   5 and name HZ   ) 4.5 1.4 1.4 
 NOE>assign ( resid   3 and name HD1  ) (resid   3 and name HA   ) 4.0 0.9 0.8 
 NOE>assign ( resid   3 and name HD1  ) (resid   3 and name HN   ) 4.2 1.0 1.0 
 NOE>assign ( resid   3 and name HD1  ) (resid   3 and name HB1  ) 4.2 1.8 1.8 
 NOE>assign ( resid   3 and name HD1  ) (resid   3 and name HB2  ) 4.2 1.8 1.8 
 NOE>assign ( resid   3 and name HE1  ) (resid   3 and name HD1  ) 3.6 1.3 1.3 
 NOE>assign ( resid   3 and name HE1  ) (resid   3 and name HZ2  ) 4.2 1.4 1.3 
 NOE>assign ( resid   4 and name HN   ) (resid   3 and name HA   ) 2.1 0.3 0.3 
 NOE>assign ( resid   4 and name HN   ) (resid   3 and name HN   ) 3.3 0.4 0.4 
 NOE>assign ( resid   4 and name HN   ) (resid   3 and name HB1  ) 4.3 1.2 1.2 
 NOE>assign ( resid   4 and name HN   ) (resid   3 and name HB2  ) 4.3 1.2 1.2 
 NOE>assign ( resid   4 and name HN   ) (resid   4 and name HA   ) 2.8 0.4 0.4 
 NOE>assign ( resid   4 and name HN   ) (resid   4 and name HB1  ) 3.8 1.5 1.5 
 NOE>assign ( resid   4 and name HN   ) (resid   4 and name HB2  ) 3.8 1.5 1.5 
 NOE>assign ( resid   4 and name HB*  ) (resid   4 and name HA   ) 2.9 0.8 0.8 
 NOE>assign ( resid   5 and name HN   ) (resid   4 and name HA   ) 2.0 0.2 0.2 
 NOE>assign ( resid   5 and name HN   ) (resid   4 and name HN   ) 4.3 0.5 0.6 
 NOE>assign ( resid   5 and name HN   ) (resid   4 and name HB*  ) 3.2 0.8 0.8 
 NOE>assign ( resid   5 and name HN   ) (resid   5 and name HB1  ) 3.8 1.4 1.3 
 NOE>assign ( resid   5 and name HN   ) (resid   5 and name HB2  ) 3.8 1.4 1.3 
 NOE>assign ( resid   5 and name HN   ) (resid   5 and name HD*  ) 4.1 1.4 1.3 
 NOE>assign ( resid   5 and name HD*  ) (resid   4 and name HA   ) 4.1 1.3 1.3 
 NOE>assign ( resid   6 and name HN   ) (resid   5 and name HD*  ) 4.6 1.4 1.4 
 NOE>assign ( resid   7 and name HB   ) (resid   7 and name HA   ) 2.9 0.4 0.4 
 NOE>assign ( resid   7 and name HN   ) (resid   6 and name HA   ) 2.0 0.2 0.2 
 NOE>assign ( resid   7 and name HN   ) (resid   7 and name HA   ) 3.0 0.3 0.3 
 NOE>assign ( resid   7 and name HN   ) (resid   7 and name HB   ) 2.5 0.3 0.3 
 NOE>assign ( resid   7 and name HN   ) (resid   7 and name HG*  ) 4.1 1.5 1.5 
 NOE>assign ( resid   7 and name HG*  ) (resid   7 and name HA   ) 3.6 1.5 1.5 
 NOE>assign ( resid   8 and name HN   ) (resid   7 and name HA   ) 2.0 0.3 0.2 
 NOE>assign ( resid   8 and name HN   ) (resid   7 and name HG*  ) 4.0 1.5 1.5 
 NOE>assign ( resid   8 and name HN   ) (resid   8 and name HA   ) 2.9 0.3 0.3 
 NOE>assign ( resid   8 and name HN   ) (resid   8 and name HB*  ) 3.5 0.8 0.8 
 NOE>assign ( resid   8 and name HB*  ) (resid  14 and name HA   ) 3.9 0.9 0.9 
 NOE>assign ( resid   8 and name HB1  ) (resid   8 and name HA   ) 3.3 1.2 1.2 
 NOE>assign ( resid   8 and name HB2  ) (resid   8 and name HA   ) 3.3 1.2 1.2 
 NOE>assign ( resid   9 and name HN   ) (resid   8 and name HA   ) 2.2 0.3 0.3 
 NOE>assign ( resid   9 and name HN   ) (resid   8 and name HB*  ) 3.2 0.9 0.8 
 NOE>assign ( resid   9 and name HN   ) (resid   9 and name HB1  ) 3.4 1.2 1.2 
 NOE>assign ( resid   9 and name HN   ) (resid   9 and name HB2  ) 3.4 1.2 1.2 
 NOE>assign ( resid   9 and name HN   ) (resid   9 and name HD*  ) 4.2 1.4 1.3 
 NOE>assign ( resid   9 and name HN   ) (resid  12 and name HN   ) 3.3 0.4 0.4 
 NOE>assign ( resid   9 and name HN   ) (resid  13 and name HN   ) 3.7 0.4 0.4 
 NOE>assign ( resid   9 and name HN   ) (resid  13 and name HB*  ) 4.0 0.9 0.8 
 NOE>assign ( resid   9 and name HN   ) (resid  14 and name HA   ) 3.2 0.4 0.4 
 NOE>assign ( resid   9 and name HD*  ) (resid   9 and name HB*  ) 4.0 1.8 1.8 
 NOE>assign ( resid  10 and name HN   ) (resid   9 and name HA   ) 2.1 0.2 0.2 
 NOE>assign ( resid  10 and name HN   ) (resid  10 and name HA   ) 2.2 0.2 0.2 
 NOE>assign ( resid  10 and name HN   ) (resid  10 and name HB1  ) 3.8 1.2 1.2 
 NOE>assign ( resid  10 and name HN   ) (resid  10 and name HB2  ) 3.8 1.2 1.2 
 NOE>assign ( resid  10 and name HN   ) (resid  10 and name HG1  ) 4.0 1.3 1.3 
 NOE>assign ( resid  10 and name HN   ) (resid  10 and name HG2  ) 4.0 1.3 1.3 
 NOE>assign ( resid  10 and name HN   ) (resid  11 and name HN   ) 3.0 0.3 0.4 
 NOE>assign ( resid  10 and name HB1  ) (resid  10 and name HA   ) 3.5 1.4 1.4 
 NOE>assign ( resid  10 and name HB2  ) (resid  10 and name HA   ) 3.5 1.4 1.4 
 NOE>assign ( resid  10 and name HG1  ) (resid  10 and name HA   ) 4.0 1.3 1.3 
 NOE>assign ( resid  10 and name HG2  ) (resid  10 and name HA   ) 4.0 1.3 1.3 
 NOE>assign ( resid  11 and name HN   ) (resid   8 and name HB*  ) 4.0 0.9 0.8 
 NOE>assign ( resid  11 and name HN   ) (resid  10 and name HA   ) 2.4 0.2 0.2 
 NOE>assign ( resid  11 and name HN   ) (resid  11 and name HA*  ) 2.8 0.8 0.8 
 NOE>assign ( resid  11 and name HN   ) (resid  12 and name HN   ) 2.9 0.4 0.4 
 NOE>assign ( resid  12 and name HE   ) (resid  12 and name HB*  ) 4.5 1.0 1.0 
 NOE>assign ( resid  12 and name HN   ) (resid  10 and name HA   ) 4.2 0.5 0.5 
 NOE>assign ( resid  12 and name HN   ) (resid  11 and name HA1  ) 3.8 1.3 1.3 
 NOE>assign ( resid  12 and name HN   ) (resid  11 and name HA2  ) 3.8 1.3 1.3 
 NOE>assign ( resid  12 and name HN   ) (resid  12 and name HA   ) 2.8 0.4 0.4 
 NOE>assign ( resid  12 and name HN   ) (resid  12 and name HB*  ) 3.0 0.8 0.8 
 NOE>assign ( resid  12 and name HN   ) (resid  12 and name HD*  ) 4.8 1.0 1.1 
 NOE>assign ( resid  12 and name HN   ) (resid  12 and name HG*  ) 3.2 0.9 0.8 
 NOE>assign ( resid  12 and name HB*  ) (resid  12 and name HA   ) 2.9 0.8 0.8 
 NOE>assign ( resid  13 and name HN   ) (resid  12 and name HA   ) 2.6 0.3 0.7 
 NOE>assign ( resid  13 and name HN   ) (resid  12 and name HB*  ) 3.0 0.8 0.8 
 NOE>assign ( resid  13 and name HN   ) (resid  12 and name HD*  ) 4.5 1.0 1.0 
 NOE>assign ( resid  13 and name HN   ) (resid  12 and name HG*  ) 4.0 0.9 0.9 
 NOE>assign ( resid  13 and name HN   ) (resid  13 and name HA   ) 2.5 0.3 0.3 
 NOE>assign ( resid  13 and name HN   ) (resid  13 and name HB*  ) 3.2 0.8 0.8 
 NOE>assign ( resid  13 and name HN   ) (resid  13 and name HD*  ) 4.6 1.4 1.4 
 NOE>assign ( resid  13 and name HD*  ) (resid  13 and name HB*  ) 3.8 1.8 1.8 
 NOE>assign ( resid  14 and name HN   ) (resid  13 and name HA   ) 2.1 0.2 0.2 
 NOE>assign ( resid  14 and name HN   ) (resid  13 and name HN   ) 3.1 0.3 0.3 
 NOE>assign ( resid  14 and name HN   ) (resid  13 and name HB*  ) 3.4 0.8 0.8 
 NOE>assign ( resid  14 and name HN   ) (resid  14 and name HA   ) 2.8 0.3 0.3 
 NOE>assign ( resid  14 and name HN   ) (resid  14 and name HB1  ) 3.7 1.6 1.5 
 NOE>assign ( resid  14 and name HN   ) (resid  14 and name HB2  ) 3.7 1.6 1.5 
 NOE>assign ( resid  14 and name HB*  ) (resid   8 and name HA   ) 3.9 0.9 0.9 
 NOE>assign ( resid  14 and name HB*  ) (resid  14 and name HA   ) 3.0 0.8 0.8 
 NOE>assign ( resid  14 and name HB*  ) (resid  16 and name HA   ) 4.5 0.9 1.2 
 NOE>assign ( resid  15 and name HN   ) (resid   7 and name HB   ) 3.4 0.4 0.4 
 NOE>assign ( resid  15 and name HN   ) (resid   7 and name HN   ) 2.7 0.3 0.3 
 NOE>assign ( resid  15 and name HN   ) (resid   8 and name HA   ) 3.1 0.4 0.4 
 NOE>assign ( resid  15 and name HN   ) (resid  14 and name HA   ) 2.1 0.3 0.3 
 NOE>assign ( resid  15 and name HN   ) (resid  14 and name HN   ) 4.6 0.6 0.6 
 NOE>assign ( resid  15 and name HN   ) (resid  14 and name HB*  ) 3.3 0.8 0.8 
 NOE>assign ( resid  15 and name HN   ) (resid  15 and name HA   ) 2.9 0.3 0.3 
 NOE>assign ( resid  15 and name HN   ) (resid  15 and name HB1  ) 3.8 1.2 1.2 
 NOE>assign ( resid  15 and name HN   ) (resid  15 and name HB2  ) 3.8 1.2 1.2 
 NOE>assign ( resid  15 and name HN   ) (resid  15 and name HD*  ) 4.0 1.4 1.3 
 NOE>assign ( resid  15 and name HN   ) (resid  16 and name HA   ) 4.0 0.5 0.5 
 NOE>assign ( resid  15 and name HD*  ) (resid   7 and name HB   ) 4.5 1.4 1.3 
 NOE>assign ( resid  15 and name HD*  ) (resid  14 and name HA   ) 4.2 1.4 1.3 
 NOE>assign ( resid  15 and name HE*  ) (resid   7 and name HB   ) 4.1 1.3 1.3 
 NOE>assign ( resid  16 and name HN   ) (resid  15 and name HA   ) 2.1 0.3 0.3 
 NOE>assign ( resid  16 and name HN   ) (resid  15 and name HD*  ) 4.2 1.4 1.3 
 NOE>assign ( resid  17 and name HN   ) (resid   4 and name HB*  ) 4.3 0.9 1.0 
 NOE>assign ( resid  17 and name HN   ) (resid   5 and name HB*  ) 4.8 1.0 1.1 
 NOE>assign ( resid  17 and name HN   ) (resid  17 and name HA   ) 2.8 0.4 0.4 
 NOE>assign ( resid  17 and name HN   ) (resid  17 and name HB1  ) 3.5 1.2 1.2 
 NOE>assign ( resid  17 and name HN   ) (resid  17 and name HB2  ) 3.5 1.2 1.2 
 NOE>assign ( resid  18 and name HN   ) (resid  16 and name HB*  ) 4.3 0.9 1.0 
 NOE>assign ( resid  18 and name HN   ) (resid  17 and name HA   ) 2.0 0.2 0.2 
 NOE>assign ( resid  18 and name HN   ) (resid  17 and name HB1  ) 4.0 1.3 1.3 
 NOE>assign ( resid  18 and name HN   ) (resid  17 and name HB2  ) 4.0 1.3 1.3 
 NOE>assign ( resid  18 and name HN   ) (resid  18 and name HA   ) 3.0 0.4 0.3 
 NOE>assign ( resid  18 and name HN   ) (resid  18 and name HB1  ) 3.6 1.5 1.5 
 NOE>assign ( resid  18 and name HN   ) (resid  18 and name HB2  ) 3.6 1.5 1.5 
 NOE>assign ( resid  18 and name HB*  ) (resid  18 and name HA   ) 2.9 0.8 0.8 
 NOE>assign ( resid  19 and name HN   ) (resid  18 and name HA   ) 2.1 0.2 0.2 
 NOE>assign ( resid  19 and name HN   ) (resid  18 and name HB1  ) 3.9 1.5 1.5 
 NOE>assign ( resid  19 and name HN   ) (resid  18 and name HB2  ) 3.9 1.5 1.5 
 NOE>assign ( resid  19 and name HN   ) (resid  19 and name HA   ) 2.9 0.3 0.3 
 NOE>assign ( resid  19 and name HN   ) (resid  19 and name HB*  ) 3.9 0.9 0.9 
 NOE>assign ( resid  19 and name HB*  ) (resid  19 and name HA   ) 3.6 0.9 0.9 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1          1H        ARG   1  -6.645  -4.203  12.826
    2   2H    ARG   1          2H        ARG   1  -7.620  -5.143  13.851
    3   3H    ARG   1          3H        ARG   1  -8.305  -4.353  12.512
    4    HA   ARG   1           HA       ARG   1  -6.265  -6.511  12.312
    5   1HB   ARG   1          2HB       ARG   1  -9.018  -6.550  13.034
    6   2HB   ARG   1          1HB       ARG   1  -8.909  -7.167  11.385
    7   1HG   ARG   1          2HG       ARG   1  -7.613  -8.983  11.999
    8   2HG   ARG   1          1HG       ARG   1  -6.919  -8.151  13.392
    9   1HD   ARG   1          2HD       ARG   1  -9.110  -8.310  14.564
   10   2HD   ARG   1          1HD       ARG   1  -9.762  -9.212  13.180
   11    HE   ARG   1           HE       ARG   1  -7.291 -10.205  14.527
   12   1HH1  ARG   1          1HH1      ARG   1  -8.719 -11.729  12.348
   13   2HH1  ARG   1          2HH1      ARG   1  -9.625 -12.887  13.265
   14   1HH2  ARG   1          1HH2      ARG   1  -9.268 -11.186  16.265
   15   2HH2  ARG   1          2HH2      ARG   1  -9.936 -12.579  15.482
   16    H    ARG   2           H        ARG   2  -6.017  -7.212  10.079
   17    HA   ARG   2           HA       ARG   2  -6.510  -5.027   8.129
   18   1HB   ARG   2          2HB       ARG   2  -4.950  -7.621   7.910
   19   2HB   ARG   2          1HB       ARG   2  -4.842  -6.240   6.819
   20   1HG   ARG   2          2HG       ARG   2  -4.216  -4.876   8.927
   21   2HG   ARG   2          1HG       ARG   2  -3.919  -6.442   9.683
   22   1HD   ARG   2          2HD       ARG   2  -2.022  -6.816   8.452
   23   2HD   ARG   2          1HD       ARG   2  -2.706  -6.070   6.994
   24    HE   ARG   2           HE       ARG   2  -2.145  -3.881   7.899
   25   1HH1  ARG   2          1HH1      ARG   2   0.227  -5.910   8.469
   26   2HH1  ARG   2          2HH1      ARG   2   0.731  -5.306  10.013
   27   1HH2  ARG   2          1HH2      ARG   2  -2.111  -3.375  10.481
   28   2HH2  ARG   2          2HH2      ARG   2  -0.593  -3.871  11.153
   29    H    TRP   3           H        TRP   3  -7.628  -5.411   6.148
   30    HA   TRP   3           HA       TRP   3  -8.687  -7.950   5.330
   31   1HB   TRP   3          2HB       TRP   3 -11.090  -7.392   6.024
   32   2HB   TRP   3          1HB       TRP   3 -10.000  -7.846   7.334
   33    HD1  TRP   3           HD1      TRP   3  -9.152  -5.927   8.968
   34    HE1  TRP   3           HE1      TRP   3 -10.074  -3.576   9.485
   35    HE3  TRP   3           HE3      TRP   3 -12.318  -5.332   5.006
   36    HZ2  TRP   3           HZ2      TRP   3 -11.912  -1.692   8.365
   37    HZ3  TRP   3           HZ3      TRP   3 -13.642  -3.252   4.756
   38    HH2  TRP   3           HH2      TRP   3 -13.444  -1.432   6.429
   39    H    CYS   4           H        CYS   4  -8.542  -7.415   3.168
   40    HA   CYS   4           HA       CYS   4  -9.049  -6.315   1.129
   41   1HB   CYS   4          2HB       CYS   4 -11.331  -6.613   2.224
   42   2HB   CYS   4          1HB       CYS   4 -11.178  -4.954   2.801
   43    H    PHE   5           H        PHE   5  -8.328  -4.441   0.126
   44    HA   PHE   5           HA       PHE   5  -7.650  -2.119   1.905
   45   1HB   PHE   5          2HB       PHE   5  -6.053  -3.752  -0.019
   46   2HB   PHE   5          1HB       PHE   5  -5.710  -2.024   0.049
   47    HD1  PHE   5           HD1      PHE   5  -5.478  -1.010   2.477
   48    HD2  PHE   5           HD2      PHE   5  -5.017  -5.173   1.520
   49    HE1  PHE   5           HE1      PHE   5  -4.184  -1.348   4.567
   50    HE2  PHE   5           HE2      PHE   5  -3.725  -5.509   3.610
   51    HZ   PHE   5           HZ       PHE   5  -3.309  -3.597   5.133
   52    H    ARG   6           H        ARG   6  -8.566  -0.240   1.174
   53    HA   ARG   6           HA       ARG   6  -9.417  -0.115  -1.702
   54   1HB   ARG   6          2HB       ARG   6 -11.257   1.246  -0.902
   55   2HB   ARG   6          1HB       ARG   6 -11.168  -0.189   0.121
   56   1HG   ARG   6          2HG       ARG   6  -9.670   1.231   1.670
   57   2HG   ARG   6          1HG       ARG   6 -10.264   2.620   0.759
   58   1HD   ARG   6          2HD       ARG   6 -12.376   2.470   1.655
   59   2HD   ARG   6          1HD       ARG   6 -12.329   0.697   1.721
   60    HE   ARG   6           HE       ARG   6 -11.059   0.838   3.777
   61   1HH1  ARG   6          1HH1      ARG   6 -13.080   3.398   3.305
   62   2HH1  ARG   6          2HH1      ARG   6 -12.242   4.515   4.329
   63   1HH2  ARG   6          1HH2      ARG   6  -9.460   2.481   4.718
   64   2HH2  ARG   6          2HH2      ARG   6 -10.192   3.996   5.129
   65    H    VAL   7           H        VAL   7  -8.512   1.509  -2.905
   66    HA   VAL   7           HA       VAL   7  -6.674   3.416  -1.576
   67    HB   VAL   7           HB       VAL   7  -7.331   2.793  -4.476
   68   1HG1  VAL   7          1HG1      VAL   7  -4.978   4.338  -3.350
   69   2HG1  VAL   7          2HG1      VAL   7  -6.414   5.107  -4.028
   70   3HG1  VAL   7          3HG1      VAL   7  -5.385   4.103  -5.050
   71   1HG2  VAL   7          1HG2      VAL   7  -5.825   1.388  -2.509
   72   2HG2  VAL   7          2HG2      VAL   7  -4.669   2.104  -3.634
   73   3HG2  VAL   7          3HG2      VAL   7  -5.939   1.036  -4.234
   74    H    CYS   8           H        CYS   8  -7.405   5.429  -1.032
   75    HA   CYS   8           HA       CYS   8  -9.925   6.430  -2.246
   76   1HB   CYS   8          2HB       CYS   8  -8.363   6.793   0.245
   77   2HB   CYS   8          1HB       CYS   8  -9.188   8.237  -0.341
   78    H    TYR   9           H        TYR   9  -9.978   8.776  -2.906
   79    HA   TYR   9           HA       TYR   9  -7.370   9.554  -4.176
   80   1HB   TYR   9          2HB       TYR   9  -9.715   8.959  -5.357
   81   2HB   TYR   9          1HB       TYR   9  -9.994  10.675  -5.051
   82    HD1  TYR   9           HD1      TYR   9  -8.988  12.328  -6.427
   83    HD2  TYR   9           HD2      TYR   9  -7.531   8.287  -6.552
   84    HE1  TYR   9           HE1      TYR   9  -7.548  12.905  -8.357
   85    HE2  TYR   9           HE2      TYR   9  -6.093   8.868  -8.483
   86    HH   TYR   9           HH       TYR   9  -5.969  12.196  -9.748
   87    H    ARG  10           H        ARG  10  -6.553  10.887  -2.488
   88    HA   ARG  10           HA       ARG  10  -6.351  12.864  -1.210
   89   1HB   ARG  10          2HB       ARG  10  -6.628  13.749  -3.519
   90   2HB   ARG  10          1HB       ARG  10  -8.376  13.773  -3.285
   91   1HG   ARG  10          2HG       ARG  10  -7.723  15.180  -1.127
   92   2HG   ARG  10          1HG       ARG  10  -6.278  15.531  -2.076
   93   1HD   ARG  10          2HD       ARG  10  -7.420  16.954  -3.424
   94   2HD   ARG  10          1HD       ARG  10  -8.713  15.765  -3.682
   95    HE   ARG  10           HE       ARG  10  -9.736  16.515  -1.572
   96   1HH1  ARG  10          1HH2      ARG  10  -8.207  18.784  -3.455
   97   2HH1  ARG  10          2HH2      ARG  10  -8.066  19.994  -2.223
   98   1HH2  ARG  10          1HH1      ARG  10  -9.069  17.882   0.337
   99   2HH2  ARG  10          2HH1      ARG  10  -8.554  19.482  -0.076
  100    H    GLY  11           H        GLY  11  -7.806  11.241   0.243
  101   1HA   GLY  11          2HA       GLY  11  -9.493  11.101   1.864
  102   2HA   GLY  11          1HA       GLY  11  -9.580  12.859   1.751
  103    H    ARG  12           H        ARG  12 -10.114  11.170  -1.201
  104    HA   ARG  12           HA       ARG  12 -13.019  10.909  -0.850
  105   1HB   ARG  12          2HB       ARG  12 -13.589  12.718  -2.362
  106   2HB   ARG  12          1HB       ARG  12 -12.534  13.371  -1.108
  107   1HG   ARG  12          2HG       ARG  12 -10.658  13.423  -2.555
  108   2HG   ARG  12          1HG       ARG  12 -11.432  12.358  -3.730
  109   1HD   ARG  12          2HD       ARG  12 -13.164  14.587  -3.418
  110   2HD   ARG  12          1HD       ARG  12 -11.522  15.234  -3.611
  111    HE   ARG  12           HE       ARG  12 -11.448  13.426  -5.556
  112   1HH1  ARG  12          1HH2      ARG  12 -14.569  13.462  -4.952
  113   2HH1  ARG  12          2HH2      ARG  12 -15.097  14.359  -6.335
  114   1HH2  ARG  12          1HH1      ARG  12 -11.910  15.429  -7.189
  115   2HH2  ARG  12          2HH1      ARG  12 -13.591  15.473  -7.603
  116    H    PHE  13           H        PHE  13 -13.997   9.852  -2.675
  117    HA   PHE  13           HA       PHE  13 -14.049   8.492  -4.606
  118   1HB   PHE  13          2HB       PHE  13 -12.076  10.552  -5.029
  119   2HB   PHE  13          1HB       PHE  13 -11.529   9.049  -5.770
  120    HD1  PHE  13           HD1      PHE  13 -14.435  11.381  -5.559
  121    HD2  PHE  13           HD2      PHE  13 -12.498   8.252  -7.774
  122    HE1  PHE  13           HE1      PHE  13 -16.036  11.710  -7.425
  123    HE2  PHE  13           HE2      PHE  13 -14.099   8.581  -9.640
  124    HZ   PHE  13           HZ       PHE  13 -15.868  10.310  -9.465
  125    H    CYS  14           H        CYS  14 -13.835   6.528  -3.488
  126    HA   CYS  14           HA       CYS  14 -11.044   5.472  -3.219
  127   1HB   CYS  14          2HB       CYS  14 -13.044   5.862  -1.310
  128   2HB   CYS  14          1HB       CYS  14 -13.109   4.134  -1.654
  129    H    TYR  15           H        TYR  15 -10.735   3.245  -3.717
  130    HA   TYR  15           HA       TYR  15 -12.888   2.045  -5.435
  131   1HB   TYR  15          2HB       TYR  15  -9.899   1.679  -5.759
  132   2HB   TYR  15          1HB       TYR  15 -11.164   1.352  -6.942
  133    HD1  TYR  15           HD1      TYR  15  -8.877   3.807  -5.631
  134    HD2  TYR  15           HD2      TYR  15 -12.532   3.323  -7.836
  135    HE1  TYR  15           HE1      TYR  15  -8.655   6.117  -6.506
  136    HE2  TYR  15           HE2      TYR  15 -12.309   5.632  -8.711
  137    HH   TYR  15           HH       TYR  15 -10.115   7.254  -9.082
  138    H    ARG  16           H        ARG  16 -13.488   1.024  -3.296
  139    HA   ARG  16           HA       ARG  16 -11.987  -0.607  -1.659
  140   1HB   ARG  16          2HB       ARG  16 -14.696  -1.226  -2.886
  141   2HB   ARG  16          1HB       ARG  16 -14.079  -1.894  -1.374
  142   1HG   ARG  16          2HG       ARG  16 -13.732   0.761  -0.906
  143   2HG   ARG  16          1HG       ARG  16 -15.158   0.806  -1.943
  144   1HD   ARG  16          2HD       ARG  16 -15.546  -1.333  -0.099
  145   2HD   ARG  16          1HD       ARG  16 -15.024   0.086   0.832
  146    HE   ARG  16           HE       ARG  16 -16.807   1.323  -0.640
  147   1HH1  ARG  16          1HH1      ARG  16 -17.465  -0.645   1.798
  148   2HH1  ARG  16          2HH1      ARG  16 -18.960  -1.290   1.207
  149   1HH2  ARG  16          1HH2      ARG  16 -18.524  -0.067  -2.008
  150   2HH2  ARG  16          2HH2      ARG  16 -19.560  -0.962  -0.948
  151    H    LYS  17           H        LYS  17 -11.364  -2.858  -1.713
  152    HA   LYS  17           HA       LYS  17 -11.712  -4.479  -4.114
  153   1HB   LYS  17          2HB       LYS  17  -9.981  -2.628  -4.621
  154   2HB   LYS  17          1HB       LYS  17  -8.916  -3.496  -3.514
  155   1HG   LYS  17          2HG       LYS  17  -8.918  -5.450  -4.874
  156   2HG   LYS  17          1HG       LYS  17 -10.290  -4.876  -5.825
  157   1HD   LYS  17          2HD       LYS  17  -8.789  -2.914  -6.519
  158   2HD   LYS  17          1HD       LYS  17  -7.450  -3.845  -5.847
  159   1HE   LYS  17          2HE       LYS  17  -7.331  -4.989  -7.798
  160   2HE   LYS  17          1HE       LYS  17  -8.957  -5.628  -7.483
  161   1HZ   LYS  17          1HZ       LYS  17  -8.886  -4.340  -9.548
  162   2HZ   LYS  17          2HZ       LYS  17  -8.360  -2.975  -8.685
  163   3HZ   LYS  17          3HZ       LYS  17  -9.907  -3.618  -8.403
  164    H    CYS  18           H        CYS  18 -12.148  -6.305  -2.905
  165    HA   CYS  18           HA       CYS  18 -10.272  -7.028  -0.689
  166   1HB   CYS  18          2HB       CYS  18 -12.997  -8.139  -1.430
  167   2HB   CYS  18          1HB       CYS  18 -12.124  -8.411   0.079
  168    H    ARG  19           H        ARG  19  -9.039  -8.895  -0.851
  169    HA   ARG  19           HA       ARG  19  -9.672 -10.985  -2.819
  170   1HB   ARG  19          2HB       ARG  19  -8.077  -8.729  -3.501
  171   2HB   ARG  19          1HB       ARG  19  -6.986 -10.110  -3.370
  172   1HG   ARG  19          2HG       ARG  19  -8.308 -11.390  -4.937
  173   2HG   ARG  19          1HG       ARG  19  -9.566 -10.154  -4.957
  174   1HD   ARG  19          2HD       ARG  19  -8.430  -9.473  -6.848
  175   2HD   ARG  19          1HD       ARG  19  -7.413  -8.642  -5.653
  176    HE   ARG  19           HE       ARG  19  -6.723 -11.151  -7.058
  177   1HH1  ARG  19          1HH1      ARG  19  -5.392  -8.380  -5.944
  178   2HH1  ARG  19          2HH1      ARG  19  -4.077  -9.100  -5.077
  179   1HH2  ARG  19          1HH2      ARG  19  -5.332 -12.323  -5.328
  180   2HH2  ARG  19          2HH2      ARG  19  -4.043 -11.333  -4.728
  Start of MODEL    2
    1   1H    ARG   1          1H        ARG   1  -6.355  -8.051   9.600
    2   2H    ARG   1          2H        ARG   1  -7.656  -7.675  10.626
    3   3H    ARG   1          3H        ARG   1  -6.779  -6.431   9.870
    4    HA   ARG   1           HA       ARG   1  -8.748  -8.289   8.687
    5   1HB   ARG   1          2HB       ARG   1  -8.235  -5.323   8.353
    6   2HB   ARG   1          1HB       ARG   1  -9.725  -6.203   8.012
    7   1HG   ARG   1          2HG       ARG   1  -9.544  -6.850  10.574
    8   2HG   ARG   1          1HG       ARG   1  -8.571  -5.381  10.651
    9   1HD   ARG   1          2HD       ARG   1 -10.439  -4.105  10.574
   10   2HD   ARG   1          1HD       ARG   1 -10.952  -4.900   9.072
   11    HE   ARG   1           HE       ARG   1 -12.058  -6.617  10.413
   12   1HH1  ARG   1          1HH2      ARG   1 -13.314  -4.211  11.570
   13   2HH1  ARG   1          2HH2      ARG   1 -13.047  -4.412  13.271
   14   1HH2  ARG   1          1HH1      ARG   1 -10.562  -6.796  12.869
   15   2HH2  ARG   1          2HH1      ARG   1 -11.490  -5.876  14.005
   16    H    ARG   2           H        ARG   2  -6.860  -9.448   7.580
   17    HA   ARG   2           HA       ARG   2  -5.529  -7.875   5.443
   18   1HB   ARG   2          2HB       ARG   2  -5.235 -10.538   6.777
   19   2HB   ARG   2          1HB       ARG   2  -4.584 -10.355   5.148
   20   1HG   ARG   2          2HG       ARG   2  -2.839  -9.149   5.903
   21   2HG   ARG   2          1HG       ARG   2  -3.908  -8.061   6.789
   22   1HD   ARG   2          2HD       ARG   2  -3.650  -9.207   8.767
   23   2HD   ARG   2          1HD       ARG   2  -3.531 -10.781   7.954
   24    HE   ARG   2           HE       ARG   2  -1.306  -8.788   7.770
   25   1HH1  ARG   2          1HH2      ARG   2  -1.032 -10.449  10.170
   26   2HH1  ARG   2          2HH2      ARG   2  -0.161 -11.833   9.600
   27   1HH2  ARG   2          1HH1      ARG   2  -0.842 -11.215   6.256
   28   2HH2  ARG   2          2HH1      ARG   2  -0.054 -12.267   7.383
   29    H    TRP   3           H        TRP   3  -6.966  -7.556   3.741
   30    HA   TRP   3           HA       TRP   3  -7.639  -9.696   1.983
   31   1HB   TRP   3          2HB       TRP   3  -9.118 -10.511   3.655
   32   2HB   TRP   3          1HB       TRP   3  -9.672  -8.889   4.069
   33    HD1  TRP   3           HD1      TRP   3 -11.567  -7.824   2.631
   34    HE1  TRP   3           HE1      TRP   3 -13.115  -8.737   0.783
   35    HE3  TRP   3           HE3      TRP   3  -9.201 -12.231   1.594
   36    HZ2  TRP   3           HZ2      TRP   3 -13.322 -11.032  -0.911
   37    HZ3  TRP   3           HZ3      TRP   3 -10.094 -13.759  -0.140
   38    HH2  TRP   3           HH2      TRP   3 -12.150 -13.166  -1.392
   39    H    CYS   4           H        CYS   4  -7.383  -8.375   0.201
   40    HA   CYS   4           HA       CYS   4  -7.856  -6.653  -1.354
   41   1HB   CYS   4          2HB       CYS   4 -10.342  -6.373   0.362
   42   2HB   CYS   4          1HB       CYS   4 -10.169  -5.905  -1.329
   43    H    PHE   5           H        PHE   5  -6.894  -4.666  -1.350
   44    HA   PHE   5           HA       PHE   5  -6.791  -3.127   1.199
   45   1HB   PHE   5          2HB       PHE   5  -5.325  -2.646  -1.408
   46   2HB   PHE   5          1HB       PHE   5  -4.862  -2.101   0.204
   47    HD1  PHE   5           HD1      PHE   5  -4.400  -4.620  -2.252
   48    HD2  PHE   5           HD2      PHE   5  -4.517  -4.000   1.998
   49    HE1  PHE   5           HE1      PHE   5  -3.115  -6.713  -1.911
   50    HE2  PHE   5           HE2      PHE   5  -3.231  -6.096   2.337
   51    HZ   PHE   5           HZ       PHE   5  -2.531  -7.451   0.383
   52    H    ARG   6           H        ARG   6  -7.492  -0.938   1.276
   53    HA   ARG   6           HA       ARG   6  -9.380  -0.160  -0.903
   54   1HB   ARG   6          2HB       ARG   6 -10.020  -0.407   1.564
   55   2HB   ARG   6          1HB       ARG   6  -9.042   1.031   1.860
   56   1HG   ARG   6          2HG       ARG   6 -10.773   1.499  -0.395
   57   2HG   ARG   6          1HG       ARG   6 -11.730   0.937   0.975
   58   1HD   ARG   6          2HD       ARG   6  -9.668   3.153   1.207
   59   2HD   ARG   6          1HD       ARG   6 -11.393   3.451   0.916
   60    HE   ARG   6           HE       ARG   6 -10.990   1.624   3.130
   61   1HH1  ARG   6          1HH2      ARG   6  -9.246   3.862   3.958
   62   2HH1  ARG   6          2HH2      ARG   6 -10.352   4.944   4.738
   63   1HH2  ARG   6          1HH1      ARG   6 -13.175   3.478   3.356
   64   2HH2  ARG   6          2HH1      ARG   6 -12.575   4.726   4.397
   65    H    VAL   7           H        VAL   7  -8.971   1.640  -2.139
   66    HA   VAL   7           HA       VAL   7  -6.717   3.441  -1.305
   67    HB   VAL   7           HB       VAL   7  -7.399   2.248  -4.012
   68   1HG1  VAL   7          1HG1      VAL   7  -4.988   3.956  -3.488
   69   2HG1  VAL   7          2HG1      VAL   7  -6.533   4.735  -3.831
   70   3HG1  VAL   7          3HG1      VAL   7  -5.817   3.636  -5.009
   71   1HG2  VAL   7          1HG2      VAL   7  -5.685   1.452  -1.843
   72   2HG2  VAL   7          2HG2      VAL   7  -4.687   1.883  -3.232
   73   3HG2  VAL   7          3HG2      VAL   7  -5.937   0.649  -3.394
   74    H    CYS   8           H        CYS   8  -7.155   5.621  -1.541
   75    HA   CYS   8           HA       CYS   8  -9.578   6.425  -3.101
   76   1HB   CYS   8          2HB       CYS   8  -9.678   6.059  -0.438
   77   2HB   CYS   8          1HB       CYS   8  -9.056   7.710  -0.459
   78    H    TYR   9           H        TYR   9  -9.492   8.626  -3.844
   79    HA   TYR   9           HA       TYR   9  -6.751   9.830  -3.750
   80   1HB   TYR   9          2HB       TYR   9  -8.874   9.450  -5.778
   81   2HB   TYR   9          1HB       TYR   9  -8.086  11.027  -5.821
   82    HD1  TYR   9           HD1      TYR   9  -6.234   8.159  -4.494
   83    HD2  TYR   9           HD2      TYR   9  -7.054  10.464  -8.028
   84    HE1  TYR   9           HE1      TYR   9  -4.267   7.151  -5.612
   85    HE2  TYR   9           HE2      TYR   9  -5.088   9.451  -9.143
   86    HH   TYR   9           HH       TYR   9  -3.773   7.024  -8.703
   87    H    ARG  10           H        ARG  10  -6.965  11.181  -1.924
   88    HA   ARG  10           HA       ARG  10  -7.595  13.117  -0.744
   89   1HB   ARG  10          2HB       ARG  10  -8.771  13.783  -3.462
   90   2HB   ARG  10          1HB       ARG  10  -8.411  14.945  -2.186
   91   1HG   ARG  10          2HG       ARG  10  -6.431  13.226  -3.702
   92   2HG   ARG  10          1HG       ARG  10  -6.564  14.984  -3.740
   93   1HD   ARG  10          2HD       ARG  10  -6.110  14.919  -1.207
   94   2HD   ARG  10          1HD       ARG  10  -5.603  13.238  -1.463
   95    HE   ARG  10           HE       ARG  10  -4.199  14.460  -3.418
   96   1HH1  ARG  10          1HH1      ARG  10  -2.976  13.787  -0.702
   97   2HH1  ARG  10          2HH1      ARG  10  -2.267  15.306  -0.272
   98   1HH2  ARG  10          1HH2      ARG  10  -4.057  17.111  -2.630
   99   2HH2  ARG  10          2HH2      ARG  10  -2.878  17.190  -1.362
  100    H    GLY  11           H        GLY  11  -9.219  11.037  -0.194
  101   1HA   GLY  11          2HA       GLY  11 -11.451  10.351   0.276
  102   2HA   GLY  11          1HA       GLY  11 -11.446  11.929   1.058
  103    H    ARG  12           H        ARG  12 -11.477  11.025  -2.408
  104    HA   ARG  12           HA       ARG  12 -13.995  12.639  -2.657
  105   1HB   ARG  12          2HB       ARG  12 -11.459  12.464  -4.249
  106   2HB   ARG  12          1HB       ARG  12 -12.956  12.905  -5.072
  107   1HG   ARG  12          2HG       ARG  12 -12.135  14.271  -2.519
  108   2HG   ARG  12          1HG       ARG  12 -11.516  14.816  -4.079
  109   1HD   ARG  12          2HD       ARG  12 -13.938  14.934  -4.871
  110   2HD   ARG  12          1HD       ARG  12 -14.408  14.704  -3.175
  111    HE   ARG  12           HE       ARG  12 -12.990  16.745  -2.670
  112   1HH1  ARG  12          1HH2      ARG  12 -11.803  16.947  -5.443
  113   2HH1  ARG  12          2HH2      ARG  12 -12.748  18.222  -6.135
  114   1HH2  ARG  12          1HH1      ARG  12 -15.240  18.039  -3.730
  115   2HH2  ARG  12          2HH1      ARG  12 -14.694  18.841  -5.165
  116    H    PHE  13           H        PHE  13 -12.525   9.626  -3.085
  117    HA   PHE  13           HA       PHE  13 -14.835   8.227  -3.887
  118   1HB   PHE  13          2HB       PHE  13 -13.661   9.837  -5.942
  119   2HB   PHE  13          1HB       PHE  13 -13.448   8.142  -6.379
  120    HD1  PHE  13           HD1      PHE  13 -15.534  10.746  -6.990
  121    HD2  PHE  13           HD2      PHE  13 -15.729   6.738  -5.454
  122    HE1  PHE  13           HE1      PHE  13 -17.923  10.610  -7.646
  123    HE2  PHE  13           HE2      PHE  13 -18.117   6.603  -6.111
  124    HZ   PHE  13           HZ       PHE  13 -19.213   8.538  -7.206
  125    H    CYS  14           H        CYS  14 -13.965   6.553  -2.656
  126    HA   CYS  14           HA       CYS  14 -11.237   5.561  -3.130
  127   1HB   CYS  14          2HB       CYS  14 -13.466   4.338  -1.482
  128   2HB   CYS  14          1HB       CYS  14 -11.728   4.151  -1.250
  129    H    TYR  15           H        TYR  15 -10.847   3.295  -3.752
  130    HA   TYR  15           HA       TYR  15 -13.064   1.884  -5.130
  131   1HB   TYR  15          2HB       TYR  15 -11.447   1.725  -7.155
  132   2HB   TYR  15          1HB       TYR  15 -12.292   3.251  -6.906
  133    HD1  TYR  15           HD1      TYR  15 -11.102   5.133  -5.687
  134    HD2  TYR  15           HD2      TYR  15  -9.074   1.603  -7.059
  135    HE1  TYR  15           HE1      TYR  15  -8.928   6.311  -5.505
  136    HE2  TYR  15           HE2      TYR  15  -6.900   2.782  -6.877
  137    HH   TYR  15           HH       TYR  15  -6.703   6.081  -5.568
  138    H    ARG  16           H        ARG  16 -12.556   0.410  -3.292
  139    HA   ARG  16           HA       ARG  16 -10.187  -0.794  -2.573
  140   1HB   ARG  16          2HB       ARG  16 -12.793  -2.230  -3.179
  141   2HB   ARG  16          1HB       ARG  16 -11.568  -2.734  -2.015
  142   1HG   ARG  16          2HG       ARG  16 -12.541  -1.458  -0.442
  143   2HG   ARG  16          1HG       ARG  16 -12.254  -0.027  -1.431
  144   1HD   ARG  16          2HD       ARG  16 -14.566   0.066  -1.371
  145   2HD   ARG  16          1HD       ARG  16 -14.398  -1.052  -2.740
  146    HE   ARG  16           HE       ARG  16 -15.012  -2.854  -1.306
  147   1HH1  ARG  16          1HH2      ARG  16 -16.070  -0.073   0.039
  148   2HH1  ARG  16          2HH2      ARG  16 -15.991  -0.583   1.692
  149   1HH2  ARG  16          1HH1      ARG  16 -14.197  -3.467   0.993
  150   2HH2  ARG  16          2HH1      ARG  16 -14.930  -2.504   2.232
  151    H    LYS  17           H        LYS  17  -8.979  -2.641  -3.348
  152    HA   LYS  17           HA       LYS  17  -9.577  -3.600  -6.102
  153   1HB   LYS  17          2HB       LYS  17  -7.937  -1.477  -5.723
  154   2HB   LYS  17          1HB       LYS  17  -6.771  -2.788  -5.534
  155   1HG   LYS  17          2HG       LYS  17  -6.883  -2.109  -7.887
  156   2HG   LYS  17          1HG       LYS  17  -7.524  -3.742  -7.702
  157   1HD   LYS  17          2HD       LYS  17  -9.677  -3.097  -8.168
  158   2HD   LYS  17          1HD       LYS  17  -9.471  -1.506  -7.437
  159   1HE   LYS  17          2HE       LYS  17  -8.323  -0.662  -9.365
  160   2HE   LYS  17          1HE       LYS  17  -8.140  -2.290 -10.048
  161   1HZ   LYS  17          1HZ       LYS  17 -10.627  -0.728  -9.678
  162   2HZ   LYS  17          2HZ       LYS  17 -10.655  -2.414  -9.888
  163   3HZ   LYS  17          3HZ       LYS  17 -10.022  -1.413 -11.107
  164    H    CYS  18           H        CYS  18  -9.701  -5.772  -5.635
  165    HA   CYS  18           HA       CYS  18  -7.563  -6.974  -3.911
  166   1HB   CYS  18          2HB       CYS  18 -10.258  -7.049  -3.650
  167   2HB   CYS  18          1HB       CYS  18 -10.023  -8.466  -4.673
  168    H    ARG  19           H        ARG  19  -6.054  -8.177  -4.998
  169    HA   ARG  19           HA       ARG  19  -6.758 -10.023  -7.120
  170   1HB   ARG  19          2HB       ARG  19  -6.649  -7.420  -7.917
  171   2HB   ARG  19          1HB       ARG  19  -4.971  -7.902  -8.169
  172   1HG   ARG  19          2HG       ARG  19  -5.871  -9.942  -9.402
  173   2HG   ARG  19          1HG       ARG  19  -7.451  -9.160  -9.358
  174   1HD   ARG  19          2HD       ARG  19  -6.750  -7.383 -10.746
  175   2HD   ARG  19          1HD       ARG  19  -5.032  -7.698 -10.429
  176    HE   ARG  19           HE       ARG  19  -6.171 -10.050 -11.561
  177   1HH1  ARG  19          1HH2      ARG  19  -4.324  -7.331 -12.243
  178   2HH1  ARG  19          2HH2      ARG  19  -4.511  -7.418 -13.963
  179   1HH2  ARG  19          1HH1      ARG  19  -6.881  -9.947 -13.843
  180   2HH2  ARG  19          2HH1      ARG  19  -5.959  -8.899 -14.868
  Start of MODEL    3
    1   1H    ARG   1          1H        ARG   1   0.519 -15.492  -2.706
    2   2H    ARG   1          2H        ARG   1  -1.111 -15.030  -2.591
    3   3H    ARG   1          3H        ARG   1  -0.361 -15.837  -1.298
    4    HA   ARG   1           HA       ARG   1   0.581 -13.968  -0.488
    5   1HB   ARG   1          2HB       ARG   1   1.965 -14.117  -2.654
    6   2HB   ARG   1          1HB       ARG   1   0.840 -12.931  -3.319
    7   1HG   ARG   1          2HG       ARG   1   1.682 -11.232  -2.056
    8   2HG   ARG   1          1HG       ARG   1   1.914 -12.266  -0.646
    9   1HD   ARG   1          2HD       ARG   1   3.679 -12.772  -3.007
   10   2HD   ARG   1          1HD       ARG   1   4.010 -11.332  -2.025
   11    HE   ARG   1           HE       ARG   1   3.584 -13.908  -0.605
   12   1HH1  ARG   1          1HH2      ARG   1   6.203 -13.097  -2.273
   13   2HH1  ARG   1          2HH2      ARG   1   7.244 -12.727  -0.939
   14   1HH2  ARG   1          1HH1      ARG   1   4.678 -12.681   1.394
   15   2HH2  ARG   1          2HH1      ARG   1   6.380 -12.492   1.137
   16    H    ARG   2           H        ARG   2  -0.989 -12.772   0.518
   17    HA   ARG   2           HA       ARG   2  -3.250 -11.669  -1.052
   18   1HB   ARG   2          2HB       ARG   2  -2.922 -12.829   1.449
   19   2HB   ARG   2          1HB       ARG   2  -3.100 -11.115   1.824
   20   1HG   ARG   2          2HG       ARG   2  -5.029 -11.582  -0.137
   21   2HG   ARG   2          1HG       ARG   2  -5.104 -13.014   0.891
   22   1HD   ARG   2          2HD       ARG   2  -5.151 -11.403   2.890
   23   2HD   ARG   2          1HD       ARG   2  -5.472 -10.121   1.706
   24    HE   ARG   2           HE       ARG   2  -7.188 -12.422   1.283
   25   1HH1  ARG   2          1HH2      ARG   2  -7.731 -11.930   4.130
   26   2HH1  ARG   2          2HH2      ARG   2  -8.937 -10.689   4.093
   27   1HH2  ARG   2          1HH1      ARG   2  -8.299  -9.797   0.803
   28   2HH2  ARG   2          2HH1      ARG   2  -9.259  -9.481   2.211
   29    H    TRP   3           H        TRP   3  -3.142  -9.587  -1.789
   30    HA   TRP   3           HA       TRP   3  -1.844  -7.506  -0.120
   31   1HB   TRP   3          2HB       TRP   3  -0.064  -8.482  -1.525
   32   2HB   TRP   3          1HB       TRP   3  -1.036  -8.186  -2.968
   33    HD1  TRP   3           HD1      TRP   3  -1.288  -5.693  -3.808
   34    HE1  TRP   3           HE1      TRP   3   0.040  -3.544  -3.290
   35    HE3  TRP   3           HE3      TRP   3   1.256  -7.208   0.353
   36    HZ2  TRP   3           HZ2      TRP   3   1.931  -2.595  -1.365
   37    HZ3  TRP   3           HZ3      TRP   3   2.814  -5.664   1.507
   38    HH2  TRP   3           HH2      TRP   3   3.154  -3.361   0.654
   39    H    CYS   4           H        CYS   4  -4.139  -6.809  -0.037
   40    HA   CYS   4           HA       CYS   4  -4.790  -4.975  -2.247
   41   1HB   CYS   4          2HB       CYS   4  -6.948  -6.073  -2.712
   42   2HB   CYS   4          1HB       CYS   4  -5.619  -7.200  -2.988
   43    H    PHE   5           H        PHE   5  -5.960  -3.249  -1.448
   44    HA   PHE   5           HA       PHE   5  -7.486  -3.553   1.084
   45   1HB   PHE   5          2HB       PHE   5  -5.265  -1.524   0.693
   46   2HB   PHE   5          1HB       PHE   5  -6.187  -1.808   2.169
   47    HD1  PHE   5           HD1      PHE   5  -3.367  -2.853   0.154
   48    HD2  PHE   5           HD2      PHE   5  -6.003  -4.060   3.323
   49    HE1  PHE   5           HE1      PHE   5  -1.755  -4.613   0.824
   50    HE2  PHE   5           HE2      PHE   5  -4.391  -5.820   3.994
   51    HZ   PHE   5           HZ       PHE   5  -2.267  -6.097   2.745
   52    H    ARG   6           H        ARG   6  -7.379  -0.536   1.301
   53    HA   ARG   6           HA       ARG   6  -9.326   0.047  -0.902
   54   1HB   ARG   6          2HB       ARG   6  -8.968   1.205   1.882
   55   2HB   ARG   6          1HB       ARG   6 -10.225   1.688   0.742
   56   1HG   ARG   6          2HG       ARG   6 -10.722  -0.912   0.683
   57   2HG   ARG   6          1HG       ARG   6  -9.928  -0.879   2.258
   58   1HD   ARG   6          2HD       ARG   6 -11.703   1.332   2.234
   59   2HD   ARG   6          1HD       ARG   6 -12.612  -0.054   1.598
   60    HE   ARG   6           HE       ARG   6 -11.355  -1.215   3.692
   61   1HH1  ARG   6          1HH1      ARG   6 -10.879   1.496   4.891
   62   2HH1  ARG   6          2HH1      ARG   6 -12.282   1.701   5.885
   63   1HH2  ARG   6          1HH2      ARG   6 -14.079  -0.825   4.331
   64   2HH2  ARG   6          2HH2      ARG   6 -14.094   0.387   5.568
   65    H    VAL   7           H        VAL   7  -8.885   1.751  -2.261
   66    HA   VAL   7           HA       VAL   7  -6.528   3.488  -1.589
   67    HB   VAL   7           HB       VAL   7  -7.520   2.458  -4.269
   68   1HG1  VAL   7          1HG1      VAL   7  -5.041   4.043  -3.527
   69   2HG1  VAL   7          2HG1      VAL   7  -6.432   4.669  -4.413
   70   3HG1  VAL   7          3HG1      VAL   7  -5.416   3.420  -5.134
   71   1HG2  VAL   7          1HG2      VAL   7  -6.336   0.895  -2.505
   72   2HG2  VAL   7          2HG2      VAL   7  -4.884   1.764  -3.005
   73   3HG2  VAL   7          3HG2      VAL   7  -5.822   0.857  -4.192
   74    H    CYS   8           H        CYS   8  -7.480   5.408  -0.970
   75    HA   CYS   8           HA       CYS   8  -9.935   6.365  -2.293
   76   1HB   CYS   8          2HB       CYS   8  -8.186   7.180   0.017
   77   2HB   CYS   8          1HB       CYS   8  -9.407   8.293  -0.598
   78    H    TYR   9           H        TYR   9  -9.983   8.645  -3.153
   79    HA   TYR   9           HA       TYR   9  -7.447   9.244  -4.632
   80   1HB   TYR   9          2HB       TYR   9 -10.023   8.801  -5.487
   81   2HB   TYR   9          1HB       TYR   9  -9.972  10.563  -5.408
   82    HD1  TYR   9           HD1      TYR   9  -9.894   8.357  -7.826
   83    HD2  TYR   9           HD2      TYR   9  -7.085  11.056  -6.009
   84    HE1  TYR   9           HE1      TYR   9  -8.587   8.418  -9.930
   85    HE2  TYR   9           HE2      TYR   9  -5.783  11.115  -8.114
   86    HH   TYR   9           HH       TYR   9  -6.714   9.119 -10.909
   87    H    ARG  10           H        ARG  10  -6.402  10.616  -3.121
   88    HA   ARG  10           HA       ARG  10  -5.979  12.636  -1.968
   89   1HB   ARG  10          2HB       ARG  10  -6.467  13.429  -4.279
   90   2HB   ARG  10          1HB       ARG  10  -8.174  13.559  -3.854
   91   1HG   ARG  10          2HG       ARG  10  -7.148  15.754  -3.636
   92   2HG   ARG  10          1HG       ARG  10  -7.548  15.151  -2.027
   93   1HD   ARG  10          2HD       ARG  10  -4.986  14.158  -2.433
   94   2HD   ARG  10          1HD       ARG  10  -4.918  15.775  -3.161
   95    HE   ARG  10           HE       ARG  10  -6.315  16.157  -0.791
   96   1HH1  ARG  10          1HH1      ARG  10  -3.418  17.034  -1.552
   97   2HH1  ARG  10          2HH1      ARG  10  -2.565  16.486  -0.146
   98   1HH2  ARG  10          1HH2      ARG  10  -5.164  14.484   0.975
   99   2HH2  ARG  10          2HH2      ARG  10  -3.554  15.042   1.284
  100    H    GLY  11           H        GLY  11  -7.336  11.149  -0.295
  101   1HA   GLY  11          2HA       GLY  11  -8.857  11.147   1.490
  102   2HA   GLY  11          1HA       GLY  11  -8.862  12.904   1.322
  103    H    ARG  12           H        ARG  12  -9.814  10.991  -1.421
  104    HA   ARG  12           HA       ARG  12 -12.664  10.953  -0.798
  105   1HB   ARG  12          2HB       ARG  12 -13.302  12.756  -2.305
  106   2HB   ARG  12          1HB       ARG  12 -12.122  13.383  -1.154
  107   1HG   ARG  12          2HG       ARG  12 -10.385  13.384  -2.747
  108   2HG   ARG  12          1HG       ARG  12 -11.244  12.273  -3.816
  109   1HD   ARG  12          2HD       ARG  12 -12.088  14.051  -4.933
  110   2HD   ARG  12          1HD       ARG  12 -12.907  14.573  -3.447
  111    HE   ARG  12           HE       ARG  12 -10.033  15.250  -3.941
  112   1HH1  ARG  12          1HH1      ARG  12 -12.286  17.067  -4.989
  113   2HH1  ARG  12          2HH1      ARG  12 -12.360  18.246  -3.722
  114   1HH2  ARG  12          1HH2      ARG  12 -10.545  16.330  -1.473
  115   2HH2  ARG  12          2HH2      ARG  12 -11.373  17.829  -1.732
  116    H    PHE  13           H        PHE  13 -13.882   9.929  -2.505
  117    HA   PHE  13           HA       PHE  13 -14.188   8.507  -4.362
  118   1HB   PHE  13          2HB       PHE  13 -12.140  10.473  -5.056
  119   2HB   PHE  13          1HB       PHE  13 -11.945   8.962  -5.942
  120    HD1  PHE  13           HD1      PHE  13 -13.758   8.101  -7.385
  121    HD2  PHE  13           HD2      PHE  13 -14.071  11.894  -5.394
  122    HE1  PHE  13           HE1      PHE  13 -15.652   8.720  -8.862
  123    HE2  PHE  13           HE2      PHE  13 -15.963  12.514  -6.871
  124    HZ   PHE  13           HZ       PHE  13 -16.754  10.927  -8.606
  125    H    CYS  14           H        CYS  14 -13.839   6.562  -3.223
  126    HA   CYS  14           HA       CYS  14 -11.047   5.476  -3.350
  127   1HB   CYS  14          2HB       CYS  14 -13.235   4.646  -1.437
  128   2HB   CYS  14          1HB       CYS  14 -11.503   4.357  -1.289
  129    H    TYR  15           H        TYR  15 -10.799   3.318  -3.989
  130    HA   TYR  15           HA       TYR  15 -13.226   1.853  -4.927
  131   1HB   TYR  15          2HB       TYR  15 -11.923   1.447  -7.088
  132   2HB   TYR  15          1HB       TYR  15 -12.500   3.097  -6.854
  133    HD1  TYR  15           HD1      TYR  15  -9.591   0.952  -7.189
  134    HD2  TYR  15           HD2      TYR  15 -10.919   4.852  -5.974
  135    HE1  TYR  15           HE1      TYR  15  -7.261   1.789  -7.330
  136    HE2  TYR  15           HE2      TYR  15  -8.589   5.689  -6.114
  137    HH   TYR  15           HH       TYR  15  -6.226   4.281  -7.736
  138    H    ARG  16           H        ARG  16 -12.612   0.515  -3.021
  139    HA   ARG  16           HA       ARG  16 -10.230  -0.717  -2.405
  140   1HB   ARG  16          2HB       ARG  16 -11.737  -2.713  -1.818
  141   2HB   ARG  16          1HB       ARG  16 -12.205  -1.155  -1.135
  142   1HG   ARG  16          2HG       ARG  16 -13.968  -0.872  -2.672
  143   2HG   ARG  16          1HG       ARG  16 -13.310  -2.075  -3.784
  144   1HD   ARG  16          2HD       ARG  16 -13.767  -3.853  -2.086
  145   2HD   ARG  16          1HD       ARG  16 -14.530  -2.627  -1.054
  146    HE   ARG  16           HE       ARG  16 -15.869  -2.203  -3.357
  147   1HH1  ARG  16          1HH2      ARG  16 -14.582  -5.214  -3.379
  148   2HH1  ARG  16          2HH2      ARG  16 -16.073  -6.088  -3.275
  149   1HH2  ARG  16          1HH1      ARG  16 -17.972  -3.285  -2.530
  150   2HH2  ARG  16          2HH1      ARG  16 -17.993  -4.996  -2.794
  151    H    LYS  17           H        LYS  17  -8.819  -2.037  -3.489
  152    HA   LYS  17           HA       LYS  17  -9.813  -3.428  -5.957
  153   1HB   LYS  17          2HB       LYS  17  -7.854  -1.447  -5.605
  154   2HB   LYS  17          1HB       LYS  17  -6.944  -2.944  -5.814
  155   1HG   LYS  17          2HG       LYS  17  -9.239  -2.521  -7.658
  156   2HG   LYS  17          1HG       LYS  17  -7.832  -1.486  -7.901
  157   1HD   LYS  17          2HD       LYS  17  -7.205  -4.337  -7.444
  158   2HD   LYS  17          1HD       LYS  17  -8.072  -4.000  -8.943
  159   1HE   LYS  17          2HE       LYS  17  -5.770  -3.772  -9.526
  160   2HE   LYS  17          1HE       LYS  17  -6.319  -2.101  -9.280
  161   1HZ   LYS  17          1HZ       LYS  17  -5.355  -3.666  -6.984
  162   2HZ   LYS  17          2HZ       LYS  17  -5.356  -1.983  -7.212
  163   3HZ   LYS  17          3HZ       LYS  17  -4.224  -2.953  -8.026
  164    H    CYS  18           H        CYS  18 -10.186  -5.459  -5.035
  165    HA   CYS  18           HA       CYS  18  -7.749  -6.960  -4.219
  166   1HB   CYS  18          2HB       CYS  18  -8.814  -5.978  -2.186
  167   2HB   CYS  18          1HB       CYS  18 -10.312  -6.814  -2.596
  168    H    ARG  19           H        ARG  19  -7.907  -9.176  -4.738
  169    HA   ARG  19           HA       ARG  19 -10.499 -10.078  -5.955
  170   1HB   ARG  19          2HB       ARG  19  -7.637 -10.277  -6.926
  171   2HB   ARG  19          1HB       ARG  19  -8.909 -11.316  -7.568
  172   1HG   ARG  19          2HG       ARG  19 -10.150  -9.451  -8.399
  173   2HG   ARG  19          1HG       ARG  19  -9.166  -8.304  -7.489
  174   1HD   ARG  19          2HD       ARG  19  -8.306  -8.168  -9.705
  175   2HD   ARG  19          1HD       ARG  19  -7.171  -9.256  -8.881
  176    HE   ARG  19           HE       ARG  19  -9.461 -10.642 -10.058
  177   1HH1  ARG  19          1HH2      ARG  19  -7.819  -8.987 -12.127
  178   2HH1  ARG  19          2HH2      ARG  19  -6.767 -10.224 -12.730
  179   1HH2  ARG  19          1HH1      ARG  19  -7.442 -12.430 -10.142
  180   2HH2  ARG  19          2HH1      ARG  19  -6.554 -12.174 -11.606
  Start of MODEL    4
    1   1H    ARG   1          1H        ARG   1 -10.568 -12.494   4.094
    2   2H    ARG   1          2H        ARG   1 -11.195 -11.550   2.827
    3   3H    ARG   1          3H        ARG   1 -11.113 -10.918   4.401
    4    HA   ARG   1           HA       ARG   1  -9.321  -9.960   3.163
    5   1HB   ARG   1          2HB       ARG   1  -9.161 -11.585   5.487
    6   2HB   ARG   1          1HB       ARG   1  -7.678 -11.864   4.572
    7   1HG   ARG   1          2HG       ARG   1  -7.587  -9.281   4.339
    8   2HG   ARG   1          1HG       ARG   1  -8.749  -9.267   5.665
    9   1HD   ARG   1          2HD       ARG   1  -6.755  -9.210   6.874
   10   2HD   ARG   1          1HD       ARG   1  -6.974 -10.966   6.740
   11    HE   ARG   1           HE       ARG   1  -5.480 -10.893   4.737
   12   1HH1  ARG   1          1HH1      ARG   1  -3.774 -10.109   7.036
   13   2HH1  ARG   1          2HH1      ARG   1  -3.041  -8.641   6.481
   14   1HH2  ARG   1          1HH2      ARG   1  -5.330  -8.156   3.921
   15   2HH2  ARG   1          2HH2      ARG   1  -3.921  -7.536   4.717
   16    H    ARG   2           H        ARG   2  -9.220 -10.515   0.919
   17    HA   ARG   2           HA       ARG   2  -7.246 -12.632   0.274
   18   1HB   ARG   2          2HB       ARG   2 -10.171 -12.631  -0.350
   19   2HB   ARG   2          1HB       ARG   2  -9.072 -13.257  -1.581
   20   1HG   ARG   2          2HG       ARG   2  -8.307 -14.275   1.007
   21   2HG   ARG   2          1HG       ARG   2 -10.015 -14.609   0.717
   22   1HD   ARG   2          2HD       ARG   2  -9.566 -15.865  -1.233
   23   2HD   ARG   2          1HD       ARG   2  -7.947 -15.161  -1.417
   24    HE   ARG   2           HE       ARG   2  -8.137 -16.473   1.128
   25   1HH1  ARG   2          1HH1      ARG   2  -6.516 -16.614  -1.728
   26   2HH1  ARG   2          2HH1      ARG   2  -6.352 -18.336  -1.792
   27   1HH2  ARG   2          1HH2      ARG   2  -8.545 -18.909   0.831
   28   2HH2  ARG   2          2HH2      ARG   2  -7.500 -19.636  -0.343
   29    H    TRP   3           H        TRP   3  -5.883 -10.942  -0.512
   30    HA   TRP   3           HA       TRP   3  -5.090  -9.367  -2.089
   31   1HB   TRP   3          2HB       TRP   3  -6.717 -11.422  -3.399
   32   2HB   TRP   3          1HB       TRP   3  -6.640  -9.927  -4.332
   33    HD1  TRP   3           HD1      TRP   3  -4.366 -12.603  -2.782
   34    HE1  TRP   3           HE1      TRP   3  -2.094 -12.550  -3.998
   35    HE3  TRP   3           HE3      TRP   3  -5.056  -8.516  -5.766
   36    HZ2  TRP   3           HZ2      TRP   3  -0.746 -10.983  -5.975
   37    HZ3  TRP   3           HZ3      TRP   3  -3.263  -7.767  -7.305
   38    HH2  TRP   3           HH2      TRP   3  -1.111  -8.995  -7.413
   39    H    CYS   4           H        CYS   4  -6.097  -7.566  -0.877
   40    HA   CYS   4           HA       CYS   4  -8.181  -6.202  -2.493
   41   1HB   CYS   4          2HB       CYS   4  -8.405  -6.924   0.445
   42   2HB   CYS   4          1HB       CYS   4  -9.500  -5.818  -0.384
   43    H    PHE   5           H        PHE   5  -7.304  -4.201  -2.828
   44    HA   PHE   5           HA       PHE   5  -5.738  -2.953  -0.591
   45   1HB   PHE   5          2HB       PHE   5  -5.471  -2.587  -3.593
   46   2HB   PHE   5          1HB       PHE   5  -4.398  -1.921  -2.360
   47    HD1  PHE   5           HD1      PHE   5  -2.893  -3.380  -1.069
   48    HD2  PHE   5           HD2      PHE   5  -5.398  -4.940  -4.189
   49    HE1  PHE   5           HE1      PHE   5  -1.565  -5.474  -1.088
   50    HE2  PHE   5           HE2      PHE   5  -4.069  -7.034  -4.209
   51    HZ   PHE   5           HZ       PHE   5  -2.153  -7.302  -2.657
   52    H    ARG   6           H        ARG   6  -7.026  -1.377   0.303
   53    HA   ARG   6           HA       ARG   6  -9.169  -0.066  -1.168
   54   1HB   ARG   6          2HB       ARG   6  -7.834   0.469   1.506
   55   2HB   ARG   6          1HB       ARG   6  -9.346   1.206   0.973
   56   1HG   ARG   6          2HG       ARG   6  -9.488  -1.649   0.608
   57   2HG   ARG   6          1HG       ARG   6  -9.016  -1.289   2.270
   58   1HD   ARG   6          2HD       ARG   6 -11.039   0.580   1.663
   59   2HD   ARG   6          1HD       ARG   6 -11.616  -0.975   1.028
   60    HE   ARG   6           HE       ARG   6 -10.553  -1.651   3.487
   61   1HH1  ARG   6          1HH2      ARG   6 -13.544  -1.111   2.459
   62   2HH1  ARG   6          2HH2      ARG   6 -14.153  -0.312   3.870
   63   1HH2  ARG   6          1HH1      ARG   6 -11.021   0.157   5.283
   64   2HH2  ARG   6          2HH1      ARG   6 -12.725   0.406   5.469
   65    H    VAL   7           H        VAL   7  -8.915   1.691  -2.484
   66    HA   VAL   7           HA       VAL   7  -6.502   3.429  -2.071
   67    HB   VAL   7           HB       VAL   7  -7.901   2.622  -4.643
   68   1HG1  VAL   7          1HG1      VAL   7  -5.470   3.564  -5.373
   69   2HG1  VAL   7          2HG1      VAL   7  -5.763   4.566  -3.951
   70   3HG1  VAL   7          3HG1      VAL   7  -6.909   4.582  -5.293
   71   1HG2  VAL   7          1HG2      VAL   7  -5.832   1.358  -3.024
   72   2HG2  VAL   7          2HG2      VAL   7  -5.248   1.727  -4.647
   73   3HG2  VAL   7          3HG2      VAL   7  -6.685   0.727  -4.432
   74    H    CYS   8           H        CYS   8  -7.229   5.379  -1.324
   75    HA   CYS   8           HA       CYS   8  -9.758   6.487  -2.506
   76   1HB   CYS   8          2HB       CYS   8  -8.585   6.553   0.283
   77   2HB   CYS   8          1HB       CYS   8  -9.868   7.656  -0.217
   78    H    TYR   9           H        TYR   9  -9.237   8.203  -3.807
   79    HA   TYR   9           HA       TYR   9  -6.713   9.694  -3.343
   80   1HB   TYR   9          2HB       TYR   9  -7.845   8.722  -5.564
   81   2HB   TYR   9          1HB       TYR   9  -8.654  10.289  -5.542
   82    HD1  TYR   9           HD1      TYR   9  -5.245   8.741  -5.256
   83    HD2  TYR   9           HD2      TYR   9  -7.545  12.198  -6.371
   84    HE1  TYR   9           HE1      TYR   9  -3.202   9.815  -6.151
   85    HE2  TYR   9           HE2      TYR   9  -5.498  13.268  -7.266
   86    HH   TYR   9           HH       TYR   9  -3.096  13.135  -7.015
   87    H    ARG  10           H        ARG  10  -7.041  11.217  -1.720
   88    HA   ARG  10           HA       ARG  10  -8.104  12.967  -0.513
   89   1HB   ARG  10          2HB       ARG  10  -7.914  13.575  -3.428
   90   2HB   ARG  10          1HB       ARG  10  -8.822  14.712  -2.431
   91   1HG   ARG  10          2HG       ARG  10  -5.961  13.814  -1.975
   92   2HG   ARG  10          1HG       ARG  10  -6.482  15.407  -2.523
   93   1HD   ARG  10          2HD       ARG  10  -7.882  15.475  -0.328
   94   2HD   ARG  10          1HD       ARG  10  -6.817  14.159   0.205
   95    HE   ARG  10           HE       ARG  10  -5.330  16.355  -0.986
   96   1HH1  ARG  10          1HH2      ARG  10  -7.371  16.877   1.473
   97   2HH1  ARG  10          2HH2      ARG  10  -6.188  17.057   2.725
   98   1HH2  ARG  10          1HH1      ARG  10  -3.571  15.857   0.794
   99   2HH2  ARG  10          2HH1      ARG  10  -4.038  16.480   2.341
  100    H    GLY  11           H        GLY  11  -9.890  10.940  -0.545
  101   1HA   GLY  11          2HA       GLY  11 -12.183  10.379  -0.625
  102   2HA   GLY  11          1HA       GLY  11 -12.372  12.034  -0.048
  103    H    ARG  12           H        ARG  12 -10.987  11.425  -3.217
  104    HA   ARG  12           HA       ARG  12 -13.302  12.832  -4.430
  105   1HB   ARG  12          2HB       ARG  12 -10.507  12.073  -5.281
  106   2HB   ARG  12          1HB       ARG  12 -11.680  12.664  -6.454
  107   1HG   ARG  12          2HG       ARG  12 -11.057  14.152  -3.900
  108   2HG   ARG  12          1HG       ARG  12 -10.178  14.437  -5.401
  109   1HD   ARG  12          2HD       ARG  12 -12.926  14.466  -6.091
  110   2HD   ARG  12          1HD       ARG  12 -12.762  15.456  -4.627
  111    HE   ARG  12           HE       ARG  12 -11.690  16.138  -7.223
  112   1HH1  ARG  12          1HH2      ARG  12 -12.287  17.818  -4.646
  113   2HH1  ARG  12          2HH2      ARG  12 -10.711  18.478  -4.361
  114   1HH2  ARG  12          1HH1      ARG  12  -9.109  16.283  -6.515
  115   2HH2  ARG  12          2HH1      ARG  12  -8.912  17.610  -5.419
  116    H    PHE  13           H        PHE  13 -12.183   9.671  -3.954
  117    HA   PHE  13           HA       PHE  13 -14.347   8.321  -5.118
  118   1HB   PHE  13          2HB       PHE  13 -12.402   9.386  -7.018
  119   2HB   PHE  13          1HB       PHE  13 -12.605   7.642  -7.190
  120    HD1  PHE  13           HD1      PHE  13 -15.354   7.115  -6.556
  121    HD2  PHE  13           HD2      PHE  13 -13.681  10.475  -8.645
  122    HE1  PHE  13           HE1      PHE  13 -17.520   7.477  -7.707
  123    HE2  PHE  13           HE2      PHE  13 -15.848  10.837  -9.796
  124    HZ   PHE  13           HZ       PHE  13 -17.766   9.338  -9.328
  125    H    CYS  14           H        CYS  14 -13.972   6.802  -3.490
  126    HA   CYS  14           HA       CYS  14 -11.339   5.602  -3.052
  127   1HB   CYS  14          2HB       CYS  14 -14.139   5.307  -1.990
  128   2HB   CYS  14          1HB       CYS  14 -12.920   4.103  -1.576
  129    H    TYR  15           H        TYR  15 -10.919   3.285  -3.349
  130    HA   TYR  15           HA       TYR  15 -12.628   2.007  -5.458
  131   1HB   TYR  15          2HB       TYR  15  -9.601   2.027  -5.196
  132   2HB   TYR  15          1HB       TYR  15 -10.518   1.235  -6.479
  133    HD1  TYR  15           HD1      TYR  15  -8.408   3.661  -6.478
  134    HD2  TYR  15           HD2      TYR  15 -12.677   3.336  -6.823
  135    HE1  TYR  15           HE1      TYR  15  -8.466   5.785  -7.755
  136    HE2  TYR  15           HE2      TYR  15 -12.736   5.461  -8.101
  137    HH   TYR  15           HH       TYR  15 -11.556   7.176  -8.867
  138    H    ARG  16           H        ARG  16 -13.602   0.853  -3.578
  139    HA   ARG  16           HA       ARG  16 -12.049  -0.803  -1.809
  140   1HB   ARG  16          2HB       ARG  16 -14.789  -0.116  -2.390
  141   2HB   ARG  16          1HB       ARG  16 -14.657  -1.862  -2.178
  142   1HG   ARG  16          2HG       ARG  16 -13.047  -0.739  -0.159
  143   2HG   ARG  16          1HG       ARG  16 -14.526   0.224  -0.178
  144   1HD   ARG  16          2HD       ARG  16 -15.101  -2.628  -0.451
  145   2HD   ARG  16          1HD       ARG  16 -14.236  -2.260   1.055
  146    HE   ARG  16           HE       ARG  16 -15.992  -0.604   1.576
  147   1HH1  ARG  16          1HH2      ARG  16 -17.228  -3.393   0.820
  148   2HH1  ARG  16          2HH2      ARG  16 -18.626  -2.858  -0.050
  149   1HH2  ARG  16          1HH1      ARG  16 -17.500   0.405  -0.380
  150   2HH2  ARG  16          2HH1      ARG  16 -18.781  -0.708  -0.729
  151    H    LYS  17           H        LYS  17 -10.780  -2.454  -2.606
  152    HA   LYS  17           HA       LYS  17 -11.801  -4.053  -4.918
  153   1HB   LYS  17          2HB       LYS  17  -9.476  -2.805  -4.677
  154   2HB   LYS  17          1HB       LYS  17  -9.038  -4.244  -3.758
  155   1HG   LYS  17          2HG       LYS  17  -8.433  -4.823  -5.955
  156   2HG   LYS  17          1HG       LYS  17 -10.029  -5.554  -5.779
  157   1HD   LYS  17          2HD       LYS  17 -10.424  -4.445  -7.745
  158   2HD   LYS  17          1HD       LYS  17 -10.759  -3.103  -6.648
  159   1HE   LYS  17          2HE       LYS  17  -8.966  -1.940  -7.413
  160   2HE   LYS  17          1HE       LYS  17  -7.899  -3.345  -7.216
  161   1HZ   LYS  17          1HZ       LYS  17  -9.205  -4.257  -9.224
  162   2HZ   LYS  17          2HZ       LYS  17  -7.987  -3.106  -9.502
  163   3HZ   LYS  17          3HZ       LYS  17  -9.620  -2.636  -9.505
  164    H    CYS  18           H        CYS  18 -13.139  -5.564  -3.896
  165    HA   CYS  18           HA       CYS  18 -11.961  -7.878  -2.716
  166   1HB   CYS  18          2HB       CYS  18 -11.944  -5.740  -0.994
  167   2HB   CYS  18          1HB       CYS  18 -13.459  -6.529  -0.557
  168    H    ARG  19           H        ARG  19 -13.563  -9.498  -2.289
  169    HA   ARG  19           HA       ARG  19 -16.399  -8.919  -2.161
  170   1HB   ARG  19          2HB       ARG  19 -15.186  -8.723  -4.678
  171   2HB   ARG  19          1HB       ARG  19 -15.959 -10.308  -4.687
  172   1HG   ARG  19          2HG       ARG  19 -17.981  -9.356  -4.932
  173   2HG   ARG  19          1HG       ARG  19 -17.736  -8.409  -3.464
  174   1HD   ARG  19          2HD       ARG  19 -17.608  -6.558  -4.767
  175   2HD   ARG  19          1HD       ARG  19 -16.108  -7.211  -5.456
  176    HE   ARG  19           HE       ARG  19 -18.264  -8.577  -6.688
  177   1HH1  ARG  19          1HH2      ARG  19 -16.196  -5.919  -6.977
  178   2HH1  ARG  19          2HH2      ARG  19 -17.038  -5.198  -8.307
  179   1HH2  ARG  19          1HH1      ARG  19 -19.684  -7.436  -8.186
  180   2HH2  ARG  19          2HH1      ARG  19 -19.015  -6.058  -8.992
  Start of MODEL    5
    1   1H    ARG   1          1H        ARG   1  -4.283 -15.361  -2.066
    2   2H    ARG   1          2H        ARG   1  -2.933 -16.320  -1.685
    3   3H    ARG   1          3H        ARG   1  -2.728 -14.684  -2.097
    4    HA   ARG   1           HA       ARG   1  -4.192 -15.632   0.316
    5   1HB   ARG   1          2HB       ARG   1  -1.724 -16.173   0.151
    6   2HB   ARG   1          1HB       ARG   1  -1.418 -14.441   0.028
    7   1HG   ARG   1          2HG       ARG   1  -2.969 -14.401   2.208
    8   2HG   ARG   1          1HG       ARG   1  -2.338 -16.040   2.373
    9   1HD   ARG   1          2HD       ARG   1  -0.569 -13.611   1.930
   10   2HD   ARG   1          1HD       ARG   1  -0.914 -14.304   3.528
   11    HE   ARG   1           HE       ARG   1  -0.142 -16.494   2.022
   12   1HH1  ARG   1          1HH1      ARG   1   1.223 -13.868   3.653
   13   2HH1  ARG   1          2HH1      ARG   1   2.847 -14.177   3.133
   14   1HH2  ARG   1          1HH2      ARG   1   1.945 -16.706   0.938
   15   2HH2  ARG   1          2HH2      ARG   1   3.256 -15.783   1.597
   16    H    ARG   2           H        ARG   2  -5.527 -14.005   0.991
   17    HA   ARG   2           HA       ARG   2  -6.320 -11.816   1.424
   18   1HB   ARG   2          2HB       ARG   2  -3.548 -11.825   1.690
   19   2HB   ARG   2          1HB       ARG   2  -3.854 -10.468   0.603
   20   1HG   ARG   2          2HG       ARG   2  -5.608 -10.749   3.007
   21   2HG   ARG   2          1HG       ARG   2  -3.959 -10.169   3.251
   22   1HD   ARG   2          2HD       ARG   2  -4.500  -8.545   1.263
   23   2HD   ARG   2          1HD       ARG   2  -6.189  -8.895   1.679
   24    HE   ARG   2           HE       ARG   2  -4.198  -7.844   3.657
   25   1HH1  ARG   2          1HH2      ARG   2  -6.681  -6.604   1.985
   26   2HH1  ARG   2          2HH2      ARG   2  -7.730  -6.285   3.324
   27   1HH2  ARG   2          1HH1      ARG   2  -5.848  -8.130   5.578
   28   2HH2  ARG   2          2HH1      ARG   2  -7.260  -7.149   5.360
   29    H    TRP   3           H        TRP   3  -7.251 -10.116   0.180
   30    HA   TRP   3           HA       TRP   3  -6.338  -9.530  -2.536
   31   1HB   TRP   3          2HB       TRP   3  -8.322 -11.612  -1.937
   32   2HB   TRP   3          1HB       TRP   3  -8.896 -10.423  -3.106
   33    HD1  TRP   3           HD1      TRP   3  -7.458 -13.605  -3.256
   34    HE1  TRP   3           HE1      TRP   3  -5.896 -13.939  -5.280
   35    HE3  TRP   3           HE3      TRP   3  -6.643  -8.733  -4.556
   36    HZ2  TRP   3           HZ2      TRP   3  -4.488 -12.351  -7.196
   37    HZ3  TRP   3           HZ3      TRP   3  -5.189  -8.173  -6.482
   38    HH2  TRP   3           HH2      TRP   3  -4.110  -9.974  -7.803
   39    H    CYS   4           H        CYS   4  -6.467  -7.395  -1.432
   40    HA   CYS   4           HA       CYS   4  -8.887  -5.966  -2.047
   41   1HB   CYS   4          2HB       CYS   4  -9.055  -7.505   0.238
   42   2HB   CYS   4          1HB       CYS   4  -8.588  -5.932   0.882
   43    H    PHE   5           H        PHE   5  -8.378  -3.797  -2.138
   44    HA   PHE   5           HA       PHE   5  -6.170  -2.725  -0.464
   45   1HB   PHE   5          2HB       PHE   5  -6.213  -2.736  -3.501
   46   2HB   PHE   5          1HB       PHE   5  -5.003  -1.924  -2.507
   47    HD1  PHE   5           HD1      PHE   5  -3.548  -3.292  -0.962
   48    HD2  PHE   5           HD2      PHE   5  -6.099  -5.081  -3.920
   49    HE1  PHE   5           HE1      PHE   5  -2.270  -5.410  -0.783
   50    HE2  PHE   5           HE2      PHE   5  -4.821  -7.199  -3.742
   51    HZ   PHE   5           HZ       PHE   5  -2.907  -7.363  -2.173
   52    H    ARG   6           H        ARG   6  -8.191  -1.593   0.348
   53    HA   ARG   6           HA       ARG   6  -9.842   0.105  -1.184
   54   1HB   ARG   6          2HB       ARG   6  -9.994   1.353   1.045
   55   2HB   ARG   6          1HB       ARG   6 -10.313  -0.380   1.120
   56   1HG   ARG   6          2HG       ARG   6  -8.651  -0.605   2.615
   57   2HG   ARG   6          1HG       ARG   6  -7.505  -0.035   1.400
   58   1HD   ARG   6          2HD       ARG   6  -8.435   2.351   2.087
   59   2HD   ARG   6          1HD       ARG   6  -8.855   1.507   3.591
   60    HE   ARG   6           HE       ARG   6  -6.410   0.704   3.565
   61   1HH1  ARG   6          1HH2      ARG   6  -7.526   3.851   3.170
   62   2HH1  ARG   6          2HH2      ARG   6  -5.984   4.533   2.769
   63   1HH2  ARG   6          1HH1      ARG   6  -4.386   1.462   2.556
   64   2HH2  ARG   6          2HH1      ARG   6  -4.207   3.180   2.421
   65    H    VAL   7           H        VAL   7  -9.107   1.645  -2.596
   66    HA   VAL   7           HA       VAL   7  -6.771   3.331  -1.752
   67    HB   VAL   7           HB       VAL   7  -7.800   2.697  -4.536
   68   1HG1  VAL   7          1HG1      VAL   7  -6.437   4.783  -4.234
   69   2HG1  VAL   7          2HG1      VAL   7  -5.660   3.584  -5.269
   70   3HG1  VAL   7          3HG1      VAL   7  -5.129   3.784  -3.600
   71   1HG2  VAL   7          1HG2      VAL   7  -5.278   1.486  -3.993
   72   2HG2  VAL   7          2HG2      VAL   7  -6.810   0.683  -4.342
   73   3HG2  VAL   7          3HG2      VAL   7  -6.365   1.048  -2.675
   74    H    CYS   8           H        CYS   8  -7.259   5.460  -1.411
   75    HA   CYS   8           HA       CYS   8  -9.728   6.572  -2.707
   76   1HB   CYS   8          2HB       CYS   8  -8.575   7.075   0.057
   77   2HB   CYS   8          1HB       CYS   8 -10.024   7.840  -0.595
   78    H    TYR   9           H        TYR   9  -9.253   8.308  -3.998
   79    HA   TYR   9           HA       TYR   9  -6.582   9.584  -3.775
   80   1HB   TYR   9          2HB       TYR   9  -7.257   8.882  -5.969
   81   2HB   TYR   9          1HB       TYR   9  -8.850   9.617  -5.783
   82    HD1  TYR   9           HD1      TYR   9  -5.200  10.497  -5.810
   83    HD2  TYR   9           HD2      TYR   9  -9.223  11.819  -6.539
   84    HE1  TYR   9           HE1      TYR   9  -4.334  12.623  -6.739
   85    HE2  TYR   9           HE2      TYR   9  -8.354  13.944  -7.468
   86    HH   TYR   9           HH       TYR   9  -5.955  15.296  -7.032
   87    H    ARG  10           H        ARG  10  -7.010  10.808  -1.819
   88    HA   ARG  10           HA       ARG  10  -7.597  12.802  -0.702
   89   1HB   ARG  10          2HB       ARG  10  -6.822  13.633  -2.980
   90   2HB   ARG  10          1HB       ARG  10  -8.521  13.672  -3.454
   91   1HG   ARG  10          2HG       ARG  10  -7.926  15.884  -2.688
   92   2HG   ARG  10          1HG       ARG  10  -8.960  15.153  -1.461
   93   1HD   ARG  10          2HD       ARG  10  -6.190  14.469  -0.949
   94   2HD   ARG  10          1HD       ARG  10  -6.388  16.230  -1.052
   95    HE   ARG  10           HE       ARG  10  -8.103  16.086   0.691
   96   1HH1  ARG  10          1HH1      ARG  10  -5.638  14.525   1.698
   97   2HH1  ARG  10          2HH1      ARG  10  -6.408  13.141   2.401
   98   1HH2  ARG  10          1HH2      ARG  10  -9.453  13.716   0.843
   99   2HH2  ARG  10          2HH2      ARG  10  -8.568  12.684   1.916
  100    H    GLY  11           H        GLY  11  -9.412  10.874  -0.318
  101   1HA   GLY  11          2HA       GLY  11 -11.712  10.353  -0.065
  102   2HA   GLY  11          1HA       GLY  11 -11.729  11.989   0.588
  103    H    ARG  12           H        ARG  12 -11.074  11.241  -2.809
  104    HA   ARG  12           HA       ARG  12 -13.580  12.716  -3.498
  105   1HB   ARG  12          2HB       ARG  12 -11.804  13.926  -4.374
  106   2HB   ARG  12          1HB       ARG  12 -10.804  12.493  -4.587
  107   1HG   ARG  12          2HG       ARG  12 -11.439  13.273  -6.774
  108   2HG   ARG  12          1HG       ARG  12 -12.339  11.791  -6.454
  109   1HD   ARG  12          2HD       ARG  12 -14.366  12.908  -6.234
  110   2HD   ARG  12          1HD       ARG  12 -13.593  14.410  -5.688
  111    HE   ARG  12           HE       ARG  12 -12.850  14.783  -8.020
  112   1HH1  ARG  12          1HH1      ARG  12 -15.928  13.823  -7.597
  113   2HH1  ARG  12          2HH1      ARG  12 -16.153  13.086  -9.148
  114   1HH2  ARG  12          1HH2      ARG  12 -12.784  13.162  -9.966
  115   2HH2  ARG  12          2HH2      ARG  12 -14.371  12.711 -10.490
  116    H    PHE  13           H        PHE  13 -12.229   9.633  -3.445
  117    HA   PHE  13           HA       PHE  13 -14.400   8.294  -4.639
  118   1HB   PHE  13          2HB       PHE  13 -12.553   9.586  -6.485
  119   2HB   PHE  13          1HB       PHE  13 -12.672   7.854  -6.792
  120    HD1  PHE  13           HD1      PHE  13 -13.851  10.592  -8.183
  121    HD2  PHE  13           HD2      PHE  13 -15.443   7.278  -5.963
  122    HE1  PHE  13           HE1      PHE  13 -16.058  10.929  -9.263
  123    HE2  PHE  13           HE2      PHE  13 -17.651   7.614  -7.043
  124    HZ   PHE  13           HZ       PHE  13 -17.957   9.440  -8.693
  125    H    CYS  14           H        CYS  14 -13.933   6.668  -3.145
  126    HA   CYS  14           HA       CYS  14 -11.246   5.510  -2.914
  127   1HB   CYS  14          2HB       CYS  14 -13.978   4.981  -1.735
  128   2HB   CYS  14          1HB       CYS  14 -12.609   3.924  -1.392
  129    H    TYR  15           H        TYR  15 -10.740   3.302  -3.486
  130    HA   TYR  15           HA       TYR  15 -12.610   2.080  -5.490
  131   1HB   TYR  15          2HB       TYR  15  -9.577   2.045  -5.539
  132   2HB   TYR  15          1HB       TYR  15 -10.673   1.567  -6.836
  133    HD1  TYR  15           HD1      TYR  15  -8.510   4.071  -5.944
  134    HD2  TYR  15           HD2      TYR  15 -12.583   3.568  -7.211
  135    HE1  TYR  15           HE1      TYR  15  -8.537   6.405  -6.784
  136    HE2  TYR  15           HE2      TYR  15 -12.610   5.900  -8.051
  137    HH   TYR  15           HH       TYR  15 -10.001   7.652  -8.694
  138    H    ARG  16           H        ARG  16 -13.323   0.849  -3.509
  139    HA   ARG  16           HA       ARG  16 -11.478  -0.953  -2.176
  140   1HB   ARG  16          2HB       ARG  16 -14.415  -0.404  -2.291
  141   2HB   ARG  16          1HB       ARG  16 -13.903  -1.954  -1.623
  142   1HG   ARG  16          2HG       ARG  16 -12.258  -0.593  -0.182
  143   2HG   ARG  16          1HG       ARG  16 -13.207   0.818  -0.651
  144   1HD   ARG  16          2HD       ARG  16 -15.269  -0.548   0.139
  145   2HD   ARG  16          1HD       ARG  16 -14.084  -1.574   0.973
  146    HE   ARG  16           HE       ARG  16 -13.754   1.329   1.377
  147   1HH1  ARG  16          1HH2      ARG  16 -15.711  -1.275   2.371
  148   2HH1  ARG  16          2HH2      ARG  16 -15.525  -0.966   4.066
  149   1HH2  ARG  16          1HH1      ARG  16 -13.197   1.563   3.622
  150   2HH2  ARG  16          2HH1      ARG  16 -14.103   0.639   4.774
  151    H    LYS  17           H        LYS  17 -11.090  -3.144  -2.654
  152    HA   LYS  17           HA       LYS  17 -12.517  -4.288  -5.030
  153   1HB   LYS  17          2HB       LYS  17 -10.268  -3.330  -5.579
  154   2HB   LYS  17          1HB       LYS  17  -9.548  -4.440  -4.412
  155   1HG   LYS  17          2HG       LYS  17  -9.576  -6.117  -5.913
  156   2HG   LYS  17          1HG       LYS  17 -11.301  -5.887  -6.195
  157   1HD   LYS  17          2HD       LYS  17  -9.692  -3.766  -7.401
  158   2HD   LYS  17          1HD       LYS  17  -9.272  -5.363  -8.024
  159   1HE   LYS  17          2HE       LYS  17 -11.216  -5.505  -9.188
  160   2HE   LYS  17          1HE       LYS  17 -12.170  -5.009  -7.776
  161   1HZ   LYS  17          1HZ       LYS  17 -11.904  -3.427  -9.844
  162   2HZ   LYS  17          2HZ       LYS  17 -10.454  -3.012  -9.060
  163   3HZ   LYS  17          3HZ       LYS  17 -11.943  -2.807  -8.265
  164    H    CYS  18           H        CYS  18 -13.693  -5.875  -3.990
  165    HA   CYS  18           HA       CYS  18 -12.214  -8.118  -2.795
  166   1HB   CYS  18          2HB       CYS  18 -13.403  -5.980  -1.235
  167   2HB   CYS  18          1HB       CYS  18 -14.172  -7.521  -0.855
  168    H    ARG  19           H        ARG  19 -13.336  -9.989  -3.254
  169    HA   ARG  19           HA       ARG  19 -16.286  -9.903  -3.571
  170   1HB   ARG  19          2HB       ARG  19 -14.235 -10.157  -5.714
  171   2HB   ARG  19          1HB       ARG  19 -15.632 -11.227  -5.837
  172   1HG   ARG  19          2HG       ARG  19 -17.128  -9.247  -5.598
  173   2HG   ARG  19          1HG       ARG  19 -15.704  -8.206  -5.595
  174   1HD   ARG  19          2HD       ARG  19 -15.415  -9.908  -7.844
  175   2HD   ARG  19          1HD       ARG  19 -17.091  -9.321  -7.866
  176    HE   ARG  19           HE       ARG  19 -15.468  -7.113  -7.185
  177   1HH1  ARG  19          1HH1      ARG  19 -16.595  -8.986  -9.807
  178   2HH1  ARG  19          2HH1      ARG  19 -15.841  -8.010 -11.023
  179   1HH2  ARG  19          1HH2      ARG  19 -14.200  -5.972  -8.746
  180   2HH2  ARG  19          2HH2      ARG  19 -14.484  -6.303 -10.422
  Start of MODEL    6
    1   1H    ARG   1          1H        ARG   1 -13.998 -12.712   1.608
    2   2H    ARG   1          2H        ARG   1 -12.707 -13.812   1.711
    3   3H    ARG   1          3H        ARG   1 -12.903 -12.854   0.322
    4    HA   ARG   1           HA       ARG   1 -12.353 -10.864   1.516
    5   1HB   ARG   1          2HB       ARG   1 -13.294 -12.555   3.627
    6   2HB   ARG   1          1HB       ARG   1 -11.675 -11.997   4.052
    7   1HG   ARG   1          2HG       ARG   1 -12.354  -9.846   4.317
    8   2HG   ARG   1          1HG       ARG   1 -13.400  -9.906   2.898
    9   1HD   ARG   1          2HD       ARG   1 -14.180 -11.411   5.391
   10   2HD   ARG   1          1HD       ARG   1 -14.527  -9.676   5.246
   11    HE   ARG   1           HE       ARG   1 -15.288 -11.334   2.925
   12   1HH1  ARG   1          1HH2      ARG   1 -16.473  -8.650   3.477
   13   2HH1  ARG   1          2HH2      ARG   1 -18.022  -9.060   4.136
   14   1HH2  ARG   1          1HH1      ARG   1 -17.163 -12.352   4.802
   15   2HH2  ARG   1          2HH1      ARG   1 -18.412 -11.155   4.886
   16    H    ARG   2           H        ARG   2 -10.602 -11.451  -0.030
   17    HA   ARG   2           HA       ARG   2  -8.162 -12.383   1.421
   18   1HB   ARG   2          2HB       ARG   2  -9.110 -13.319  -1.309
   19   2HB   ARG   2          1HB       ARG   2  -7.641 -13.849  -0.487
   20   1HG   ARG   2          2HG       ARG   2  -8.969 -14.803   1.336
   21   2HG   ARG   2          1HG       ARG   2 -10.454 -14.217   0.586
   22   1HD   ARG   2          2HD       ARG   2  -9.911 -15.616  -1.439
   23   2HD   ARG   2          1HD       ARG   2  -8.555 -16.308  -0.529
   24    HE   ARG   2           HE       ARG   2 -11.420 -16.740   0.052
   25   1HH1  ARG   2          1HH1      ARG   2  -9.034 -18.733  -0.075
   26   2HH1  ARG   2          2HH1      ARG   2  -8.920 -19.173   1.596
   27   1HH2  ARG   2          1HH2      ARG   2 -10.890 -16.542   2.698
   28   2HH2  ARG   2          2HH2      ARG   2  -9.971 -17.933   3.165
   29    H    TRP   3           H        TRP   3  -6.395 -11.111   0.929
   30    HA   TRP   3           HA       TRP   3  -5.189  -9.307  -0.015
   31   1HB   TRP   3          2HB       TRP   3  -6.370 -10.957  -2.205
   32   2HB   TRP   3          1HB       TRP   3  -5.624  -9.427  -2.664
   33    HD1  TRP   3           HD1      TRP   3  -3.039  -9.247  -2.573
   34    HE1  TRP   3           HE1      TRP   3  -1.148 -10.920  -2.056
   35    HE3  TRP   3           HE3      TRP   3  -5.779 -13.117  -0.679
   36    HZ2  TRP   3           HZ2      TRP   3  -0.837 -13.552  -0.981
   37    HZ3  TRP   3           HZ3      TRP   3  -4.661 -15.194   0.083
   38    HH2  TRP   3           HH2      TRP   3  -2.196 -15.417  -0.065
   39    H    CYS   4           H        CYS   4  -6.227  -7.437   0.776
   40    HA   CYS   4           HA       CYS   4  -8.226  -6.200  -1.076
   41   1HB   CYS   4          2HB       CYS   4  -8.367  -6.751   1.877
   42   2HB   CYS   4          1HB       CYS   4  -9.231  -5.366   1.210
   43    H    PHE   5           H        PHE   5  -7.311  -4.310  -1.750
   44    HA   PHE   5           HA       PHE   5  -5.683  -2.740   0.225
   45   1HB   PHE   5          2HB       PHE   5  -5.323  -2.969  -2.780
   46   2HB   PHE   5          1HB       PHE   5  -4.239  -2.155  -1.651
   47    HD1  PHE   5           HD1      PHE   5  -4.254  -4.884  -3.595
   48    HD2  PHE   5           HD2      PHE   5  -4.003  -3.952   0.590
   49    HE1  PHE   5           HE1      PHE   5  -3.068  -7.024  -3.190
   50    HE2  PHE   5           HE2      PHE   5  -2.817  -6.092   0.995
   51    HZ   PHE   5           HZ       PHE   5  -2.350  -7.628  -0.894
   52    H    ARG   6           H        ARG   6  -7.524  -1.403   0.761
   53    HA   ARG   6           HA       ARG   6  -9.162  -0.101  -1.236
   54   1HB   ARG   6          2HB       ARG   6  -9.886   1.222   0.753
   55   2HB   ARG   6          1HB       ARG   6  -9.865  -0.511   1.081
   56   1HG   ARG   6          2HG       ARG   6  -8.585   0.004   2.875
   57   2HG   ARG   6          1HG       ARG   6  -7.284   0.265   1.712
   58   1HD   ARG   6          2HD       ARG   6  -8.126   2.666   1.485
   59   2HD   ARG   6          1HD       ARG   6  -9.139   2.343   2.907
   60    HE   ARG   6           HE       ARG   6  -6.178   2.427   2.881
   61   1HH1  ARG   6          1HH1      ARG   6  -8.291   3.732   4.780
   62   2HH1  ARG   6          2HH1      ARG   6  -7.968   2.846   6.232
   63   1HH2  ARG   6          1HH2      ARG   6  -6.111   0.391   4.633
   64   2HH2  ARG   6          2HH2      ARG   6  -6.732   0.954   6.149
   65    H    VAL   7           H        VAL   7  -8.785   1.802  -2.317
   66    HA   VAL   7           HA       VAL   7  -6.504   3.523  -1.411
   67    HB   VAL   7           HB       VAL   7  -7.156   2.459  -4.176
   68   1HG1  VAL   7          1HG1      VAL   7  -5.102   4.519  -3.314
   69   2HG1  VAL   7          2HG1      VAL   7  -6.503   4.814  -4.344
   70   3HG1  VAL   7          3HG1      VAL   7  -5.186   3.790  -4.917
   71   1HG2  VAL   7          1HG2      VAL   7  -4.889   1.502  -4.014
   72   2HG2  VAL   7          2HG2      VAL   7  -5.897   0.937  -2.682
   73   3HG2  VAL   7          3HG2      VAL   7  -4.701   2.204  -2.407
   74    H    CYS   8           H        CYS   8  -7.414   5.488  -0.958
   75    HA   CYS   8           HA       CYS   8  -9.913   6.312  -2.308
   76   1HB   CYS   8          2HB       CYS   8  -8.249   7.197   0.037
   77   2HB   CYS   8          1HB       CYS   8  -9.489   8.270  -0.611
   78    H    TYR   9           H        TYR   9 -10.029   8.632  -3.116
   79    HA   TYR   9           HA       TYR   9  -7.516   9.302  -4.604
   80   1HB   TYR   9          2HB       TYR   9 -10.049   8.821  -5.482
   81   2HB   TYR   9          1HB       TYR   9 -10.115  10.572  -5.273
   82    HD1  TYR   9           HD1      TYR   9  -9.143   7.946  -7.468
   83    HD2  TYR   9           HD2      TYR   9  -8.046  11.913  -6.233
   84    HE1  TYR   9           HE1      TYR   9  -7.867   8.248  -9.568
   85    HE2  TYR   9           HE2      TYR   9  -6.770  12.212  -8.336
   86    HH   TYR   9           HH       TYR   9  -5.590  10.418 -10.039
   87    H    ARG  10           H        ARG  10  -6.467  10.638  -3.059
   88    HA   ARG  10           HA       ARG  10  -6.056  12.626  -1.851
   89   1HB   ARG  10          2HB       ARG  10  -8.116  13.368  -3.931
   90   2HB   ARG  10          1HB       ARG  10  -7.485  14.577  -2.812
   91   1HG   ARG  10          2HG       ARG  10  -5.734  12.820  -4.551
   92   2HG   ARG  10          1HG       ARG  10  -6.230  14.454  -4.993
   93   1HD   ARG  10          2HD       ARG  10  -5.176  14.405  -2.281
   94   2HD   ARG  10          1HD       ARG  10  -3.991  13.776  -3.443
   95    HE   ARG  10           HE       ARG  10  -3.833  15.958  -4.318
   96   1HH1  ARG  10          1HH2      ARG  10  -5.740  16.399  -1.730
   97   2HH1  ARG  10          2HH2      ARG  10  -6.784  17.600  -2.413
   98   1HH2  ARG  10          1HH1      ARG  10  -5.661  17.111  -5.657
   99   2HH2  ARG  10          2HH1      ARG  10  -6.738  18.003  -4.637
  100    H    GLY  11           H        GLY  11  -7.409  11.002  -0.275
  101   1HA   GLY  11          2HA       GLY  11  -8.900  10.894   1.533
  102   2HA   GLY  11          1HA       GLY  11  -8.923  12.658   1.467
  103    H    ARG  12           H        ARG  12  -9.849  11.031  -1.426
  104    HA   ARG  12           HA       ARG  12 -12.715  10.924  -0.771
  105   1HB   ARG  12          2HB       ARG  12 -11.394  13.141  -2.316
  106   2HB   ARG  12          1HB       ARG  12 -13.051  12.678  -2.704
  107   1HG   ARG  12          2HG       ARG  12 -13.145  12.800   0.034
  108   2HG   ARG  12          1HG       ARG  12 -12.002  14.090  -0.339
  109   1HD   ARG  12          2HD       ARG  12 -14.615  13.850  -1.842
  110   2HD   ARG  12          1HD       ARG  12 -14.509  14.733  -0.306
  111    HE   ARG  12           HE       ARG  12 -13.198  16.384  -1.395
  112   1HH1  ARG  12          1HH1      ARG  12 -14.468  14.287  -3.660
  113   2HH1  ARG  12          2HH1      ARG  12 -13.293  14.608  -4.891
  114   1HH2  ARG  12          1HH2      ARG  12 -11.236  16.473  -2.811
  115   2HH2  ARG  12          2HH2      ARG  12 -11.462  15.847  -4.410
  116    H    PHE  13           H        PHE  13 -13.933   9.927  -2.497
  117    HA   PHE  13           HA       PHE  13 -14.238   8.519  -4.365
  118   1HB   PHE  13          2HB       PHE  13 -12.174  10.490  -5.036
  119   2HB   PHE  13          1HB       PHE  13 -12.021   8.996  -5.961
  120    HD1  PHE  13           HD1      PHE  13 -13.911  12.045  -5.496
  121    HD2  PHE  13           HD2      PHE  13 -14.051   8.104  -7.199
  122    HE1  PHE  13           HE1      PHE  13 -15.823  12.728  -6.920
  123    HE2  PHE  13           HE2      PHE  13 -15.963   8.787  -8.624
  124    HZ   PHE  13           HZ       PHE  13 -16.849  11.100  -8.484
  125    H    CYS  14           H        CYS  14 -13.879   6.566  -3.247
  126    HA   CYS  14           HA       CYS  14 -11.084   5.489  -3.379
  127   1HB   CYS  14          2HB       CYS  14 -13.294   4.640  -1.495
  128   2HB   CYS  14          1HB       CYS  14 -11.564   4.332  -1.338
  129    H    TYR  15           H        TYR  15 -10.855   3.274  -3.957
  130    HA   TYR  15           HA       TYR  15 -13.284   1.898  -5.014
  131   1HB   TYR  15          2HB       TYR  15 -11.828   1.402  -7.082
  132   2HB   TYR  15          1HB       TYR  15 -12.444   3.047  -6.928
  133    HD1  TYR  15           HD1      TYR  15 -10.946   4.839  -5.942
  134    HD2  TYR  15           HD2      TYR  15  -9.490   0.958  -7.072
  135    HE1  TYR  15           HE1      TYR  15  -8.625   5.713  -5.958
  136    HE2  TYR  15           HE2      TYR  15  -7.170   1.833  -7.088
  137    HH   TYR  15           HH       TYR  15  -6.031   4.012  -7.337
  138    H    ARG  16           H        ARG  16 -12.779   0.629  -3.007
  139    HA   ARG  16           HA       ARG  16 -10.410  -0.772  -2.460
  140   1HB   ARG  16          2HB       ARG  16 -13.284  -1.715  -2.191
  141   2HB   ARG  16          1HB       ARG  16 -11.911  -2.304  -1.252
  142   1HG   ARG  16          2HG       ARG  16 -12.164  -0.615   0.209
  143   2HG   ARG  16          1HG       ARG  16 -11.957   0.556  -1.093
  144   1HD   ARG  16          2HD       ARG  16 -14.121   1.126  -0.571
  145   2HD   ARG  16          1HD       ARG  16 -14.527  -0.297  -1.550
  146    HE   ARG  16           HE       ARG  16 -14.201  -1.561   0.731
  147   1HH1  ARG  16          1HH1      ARG  16 -16.814   0.031   0.005
  148   2HH1  ARG  16          2HH1      ARG  16 -17.167   0.719   1.555
  149   1HH2  ARG  16          1HH2      ARG  16 -14.039   0.017   2.875
  150   2HH2  ARG  16          2HH2      ARG  16 -15.596   0.711   3.179
  151    H    LYS  17           H        LYS  17 -10.264  -3.295  -2.718
  152    HA   LYS  17           HA       LYS  17 -11.345  -4.325  -5.271
  153   1HB   LYS  17          2HB       LYS  17  -8.952  -2.916  -5.212
  154   2HB   LYS  17          1HB       LYS  17  -8.428  -4.598  -5.129
  155   1HG   LYS  17          2HG       LYS  17  -8.709  -4.654  -7.371
  156   2HG   LYS  17          1HG       LYS  17 -10.442  -4.642  -7.045
  157   1HD   LYS  17          2HD       LYS  17 -10.633  -2.342  -7.420
  158   2HD   LYS  17          1HD       LYS  17  -8.921  -2.050  -7.109
  159   1HE   LYS  17          2HE       LYS  17  -8.367  -3.289  -9.217
  160   2HE   LYS  17          1HE       LYS  17 -10.105  -3.420  -9.550
  161   1HZ   LYS  17          1HZ       LYS  17 -10.306  -1.208  -9.915
  162   2HZ   LYS  17          2HZ       LYS  17  -8.666  -1.342 -10.338
  163   3HZ   LYS  17          3HZ       LYS  17  -9.105  -0.789  -8.793
  164    H    CYS  18           H        CYS  18 -12.008  -6.342  -4.645
  165    HA   CYS  18           HA       CYS  18 -10.084  -8.103  -3.220
  166   1HB   CYS  18          2HB       CYS  18 -12.873  -7.394  -2.251
  167   2HB   CYS  18          1HB       CYS  18 -11.839  -8.624  -1.525
  168    H    ARG  19           H        ARG  19 -10.459 -10.309  -3.674
  169    HA   ARG  19           HA       ARG  19 -12.897 -11.037  -5.225
  170   1HB   ARG  19          2HB       ARG  19 -10.046 -10.957  -6.130
  171   2HB   ARG  19          1HB       ARG  19 -11.062 -12.270  -6.727
  172   1HG   ARG  19          2HG       ARG  19 -12.006 -10.871  -8.211
  173   2HG   ARG  19          1HG       ARG  19 -12.569  -9.848  -6.889
  174   1HD   ARG  19          2HD       ARG  19 -10.759  -8.396  -7.057
  175   2HD   ARG  19          1HD       ARG  19  -9.694  -9.643  -7.737
  176    HE   ARG  19           HE       ARG  19 -11.470  -7.946  -9.270
  177   1HH1  ARG  19          1HH2      ARG  19  -8.925  -9.506 -10.104
  178   2HH1  ARG  19          2HH2      ARG  19  -9.593 -10.566 -11.300
  179   1HH2  ARG  19          1HH1      ARG  19 -12.878 -10.010 -10.342
  180   2HH2  ARG  19          2HH1      ARG  19 -11.830 -10.852 -11.435
  Start of MODEL    7
    1   1H    ARG   1          1H        ARG   1   0.084  -5.302   3.653
    2   2H    ARG   1          2H        ARG   1   0.745  -6.866   3.615
    3   3H    ARG   1          3H        ARG   1   0.685  -6.000   5.076
    4    HA   ARG   1           HA       ARG   1  -1.078  -7.561   5.193
    5   1HB   ARG   1          2HB       ARG   1  -1.620  -4.677   4.617
    6   2HB   ARG   1          1HB       ARG   1  -3.010  -5.746   4.805
    7   1HG   ARG   1          2HG       ARG   1  -1.334  -6.488   6.896
    8   2HG   ARG   1          1HG       ARG   1  -1.166  -4.733   6.833
    9   1HD   ARG   1          2HD       ARG   1  -3.058  -4.915   8.186
   10   2HD   ARG   1          1HD       ARG   1  -3.831  -4.858   6.589
   11    HE   ARG   1           HE       ARG   1  -3.105  -7.562   7.148
   12   1HH1  ARG   1          1HH1      ARG   1  -4.260  -6.631   9.805
   13   2HH1  ARG   1          2HH1      ARG   1  -5.932  -7.040   9.608
   14   1HH2  ARG   1          1HH2      ARG   1  -5.704  -7.429   6.169
   15   2HH2  ARG   1          2HH2      ARG   1  -6.749  -7.492   7.550
   16    H    ARG   2           H        ARG   2  -2.449  -8.930   4.067
   17    HA   ARG   2           HA       ARG   2  -2.870  -8.343   1.153
   18   1HB   ARG   2          2HB       ARG   2  -1.326 -10.204   1.637
   19   2HB   ARG   2          1HB       ARG   2  -2.555 -10.969   2.645
   20   1HG   ARG   2          2HG       ARG   2  -3.826 -11.631   0.841
   21   2HG   ARG   2          1HG       ARG   2  -3.326 -10.257  -0.148
   22   1HD   ARG   2          2HD       ARG   2  -1.034 -11.303  -0.326
   23   2HD   ARG   2          1HD       ARG   2  -1.693 -12.739   0.482
   24    HE   ARG   2           HE       ARG   2  -3.337 -11.860  -1.759
   25   1HH1  ARG   2          1HH2      ARG   2  -0.518 -12.281  -2.817
   26   2HH1  ARG   2          2HH2      ARG   2  -0.575 -13.950  -3.279
   27   1HH2  ARG   2          1HH1      ARG   2  -3.454 -14.625  -1.467
   28   2HH2  ARG   2          2HH1      ARG   2  -2.238 -15.277  -2.514
   29    H    TRP   3           H        TRP   3  -4.966  -7.428   1.331
   30    HA   TRP   3           HA       TRP   3  -7.202  -9.192   1.474
   31   1HB   TRP   3          2HB       TRP   3  -6.059  -8.650   3.957
   32   2HB   TRP   3          1HB       TRP   3  -7.431  -7.543   3.883
   33    HD1  TRP   3           HD1      TRP   3  -6.542 -11.182   4.220
   34    HE1  TRP   3           HE1      TRP   3  -8.691 -12.570   4.541
   35    HE3  TRP   3           HE3      TRP   3 -10.055  -7.620   3.200
   36    HZ2  TRP   3           HZ2      TRP   3 -11.526 -12.216   4.386
   37    HZ3  TRP   3           HZ3      TRP   3 -12.470  -8.171   3.293
   38    HH2  TRP   3           HH2      TRP   3 -13.208 -10.463   3.885
   39    H    CYS   4           H        CYS   4  -7.822  -7.862  -0.326
   40    HA   CYS   4           HA       CYS   4  -9.060  -6.084  -1.297
   41   1HB   CYS   4          2HB       CYS   4  -9.832  -6.352   1.386
   42   2HB   CYS   4          1HB       CYS   4  -9.526  -4.627   1.183
   43    H    PHE   5           H        PHE   5  -8.354  -4.184  -2.219
   44    HA   PHE   5           HA       PHE   5  -6.014  -2.827  -0.928
   45   1HB   PHE   5          2HB       PHE   5  -6.947  -2.847  -3.816
   46   2HB   PHE   5          1HB       PHE   5  -5.406  -2.236  -3.216
   47    HD1  PHE   5           HD1      PHE   5  -7.478  -5.321  -3.525
   48    HD2  PHE   5           HD2      PHE   5  -3.559  -3.685  -2.881
   49    HE1  PHE   5           HE1      PHE   5  -6.497  -7.590  -3.728
   50    HE2  PHE   5           HE2      PHE   5  -2.578  -5.953  -3.084
   51    HZ   PHE   5           HZ       PHE   5  -4.047  -7.906  -3.508
   52    H    ARG   6           H        ARG   6  -7.530  -1.497   0.391
   53    HA   ARG   6           HA       ARG   6  -9.532   0.198  -0.799
   54   1HB   ARG   6          2HB       ARG   6  -8.021  -0.003   1.786
   55   2HB   ARG   6          1HB       ARG   6  -8.989   1.440   1.481
   56   1HG   ARG   6          2HG       ARG   6 -10.994   0.247   1.416
   57   2HG   ARG   6          1HG       ARG   6 -10.192  -1.272   1.011
   58   1HD   ARG   6          2HD       ARG   6 -10.097   0.144   3.701
   59   2HD   ARG   6          1HD       ARG   6 -10.914  -1.390   3.341
   60    HE   ARG   6           HE       ARG   6  -8.325  -1.828   2.479
   61   1HH1  ARG   6          1HH2      ARG   6 -10.100  -1.820   5.338
   62   2HH1  ARG   6          2HH2      ARG   6  -8.733  -1.967   6.390
   63   1HH2  ARG   6          1HH1      ARG   6  -6.402  -1.542   3.858
   64   2HH2  ARG   6          2HH1      ARG   6  -6.639  -1.809   5.553
   65    H    VAL   7           H        VAL   7  -8.975   1.707  -2.325
   66    HA   VAL   7           HA       VAL   7  -6.581   3.433  -1.770
   67    HB   VAL   7           HB       VAL   7  -7.709   2.458  -4.416
   68   1HG1  VAL   7          1HG1      VAL   7  -6.263   4.746  -3.946
   69   2HG1  VAL   7          2HG1      VAL   7  -6.259   3.856  -5.468
   70   3HG1  VAL   7          3HG1      VAL   7  -4.986   3.576  -4.280
   71   1HG2  VAL   7          1HG2      VAL   7  -5.856   0.960  -4.511
   72   2HG2  VAL   7          2HG2      VAL   7  -6.514   0.775  -2.886
   73   3HG2  VAL   7          3HG2      VAL   7  -5.061   1.740  -3.144
   74    H    CYS   8           H        CYS   8  -7.307   5.467  -1.292
   75    HA   CYS   8           HA       CYS   8  -9.736   6.472  -2.742
   76   1HB   CYS   8          2HB       CYS   8  -8.723   7.030   0.065
   77   2HB   CYS   8          1HB       CYS   8 -10.163   7.754  -0.653
   78    H    TYR   9           H        TYR   9  -9.092   8.005  -4.197
   79    HA   TYR   9           HA       TYR   9  -6.559   9.411  -4.015
   80   1HB   TYR   9          2HB       TYR   9  -7.972   8.731  -6.062
   81   2HB   TYR   9          1HB       TYR   9  -8.974  10.135  -5.690
   82    HD1  TYR   9           HD1      TYR   9  -8.415  12.164  -6.709
   83    HD2  TYR   9           HD2      TYR   9  -5.327   9.256  -6.020
   84    HE1  TYR   9           HE1      TYR   9  -6.774  13.636  -7.838
   85    HE2  TYR   9           HE2      TYR   9  -3.689  10.731  -7.149
   86    HH   TYR   9           HH       TYR   9  -4.096  12.781  -9.094
   87    H    ARG  10           H        ARG  10  -6.529  10.653  -2.081
   88    HA   ARG  10           HA       ARG  10  -7.164  12.379  -0.582
   89   1HB   ARG  10          2HB       ARG  10  -7.372  13.362  -3.414
   90   2HB   ARG  10          1HB       ARG  10  -7.801  14.453  -2.095
   91   1HG   ARG  10          2HG       ARG  10  -5.168  12.967  -2.337
   92   2HG   ARG  10          1HG       ARG  10  -5.410  14.671  -2.728
   93   1HD   ARG  10          2HD       ARG  10  -6.320  14.897  -0.307
   94   2HD   ARG  10          1HD       ARG  10  -5.527  13.336  -0.021
   95    HE   ARG  10           HE       ARG  10  -4.140  15.851  -0.800
   96   1HH1  ARG  10          1HH2      ARG  10  -3.797  13.796   1.587
   97   2HH1  ARG  10          2HH2      ARG  10  -2.236  13.164   1.179
   98   1HH2  ARG  10          1HH1      ARG  10  -2.248  14.484  -2.028
   99   2HH2  ARG  10          2HH1      ARG  10  -1.360  13.554  -0.867
  100    H    GLY  11           H        GLY  11  -9.182  10.597  -0.564
  101   1HA   GLY  11          2HA       GLY  11 -11.502  10.322  -0.285
  102   2HA   GLY  11          1HA       GLY  11 -11.438  11.979   0.311
  103    H    ARG  12           H        ARG  12 -10.567  11.158  -3.001
  104    HA   ARG  12           HA       ARG  12 -12.854  12.827  -3.927
  105   1HB   ARG  12          2HB       ARG  12 -10.331  11.816  -5.279
  106   2HB   ARG  12          1HB       ARG  12 -11.510  12.889  -6.032
  107   1HG   ARG  12          2HG       ARG  12  -9.732  13.463  -3.657
  108   2HG   ARG  12          1HG       ARG  12  -9.798  14.320  -5.196
  109   1HD   ARG  12          2HD       ARG  12 -12.273  14.830  -4.568
  110   2HD   ARG  12          1HD       ARG  12 -11.777  14.399  -2.919
  111    HE   ARG  12           HE       ARG  12  -9.771  16.106  -3.820
  112   1HH1  ARG  12          1HH1      ARG  12 -12.845  16.196  -2.444
  113   2HH1  ARG  12          2HH1      ARG  12 -13.065  17.903  -2.631
  114   1HH2  ARG  12          1HH2      ARG  12 -10.193  18.334  -4.526
  115   2HH2  ARG  12          2HH2      ARG  12 -11.563  19.114  -3.810
  116    H    PHE  13           H        PHE  13 -11.930   9.582  -3.637
  117    HA   PHE  13           HA       PHE  13 -14.270   8.418  -4.639
  118   1HB   PHE  13          2HB       PHE  13 -12.462   9.438  -6.686
  119   2HB   PHE  13          1HB       PHE  13 -12.766   7.714  -6.890
  120    HD1  PHE  13           HD1      PHE  13 -13.788  10.458  -8.364
  121    HD2  PHE  13           HD2      PHE  13 -15.511   7.478  -5.794
  122    HE1  PHE  13           HE1      PHE  13 -16.034  10.958  -9.289
  123    HE2  PHE  13           HE2      PHE  13 -17.757   7.979  -6.719
  124    HZ   PHE  13           HZ       PHE  13 -18.018   9.718  -8.466
  125    H    CYS  14           H        CYS  14 -13.852   6.803  -3.120
  126    HA   CYS  14           HA       CYS  14 -11.288   5.462  -2.873
  127   1HB   CYS  14          2HB       CYS  14 -14.095   5.057  -1.841
  128   2HB   CYS  14          1HB       CYS  14 -12.819   3.896  -1.477
  129    H    TYR  15           H        TYR  15 -10.866   3.225  -3.438
  130    HA   TYR  15           HA       TYR  15 -12.650   2.137  -5.593
  131   1HB   TYR  15          2HB       TYR  15  -9.633   1.909  -5.463
  132   2HB   TYR  15          1HB       TYR  15 -10.679   1.600  -6.849
  133    HD1  TYR  15           HD1      TYR  15 -12.310   3.712  -7.395
  134    HD2  TYR  15           HD2      TYR  15  -8.465   3.918  -5.489
  135    HE1  TYR  15           HE1      TYR  15 -12.090   6.083  -8.091
  136    HE2  TYR  15           HE2      TYR  15  -8.246   6.288  -6.185
  137    HH   TYR  15           HH       TYR  15 -10.842   8.113  -7.330
  138    H    ARG  16           H        ARG  16 -13.567   0.852  -3.754
  139    HA   ARG  16           HA       ARG  16 -11.940  -0.993  -2.242
  140   1HB   ARG  16          2HB       ARG  16 -14.890  -0.884  -2.944
  141   2HB   ARG  16          1HB       ARG  16 -14.203  -1.965  -1.731
  142   1HG   ARG  16          2HG       ARG  16 -13.961  -0.299  -0.210
  143   2HG   ARG  16          1HG       ARG  16 -13.387   0.846  -1.422
  144   1HD   ARG  16          2HD       ARG  16 -15.701   1.217  -2.196
  145   2HD   ARG  16          1HD       ARG  16 -16.290   0.053  -0.993
  146    HE   ARG  16           HE       ARG  16 -14.669   1.914   0.388
  147   1HH1  ARG  16          1HH2      ARG  16 -17.653   1.203   0.802
  148   2HH1  ARG  16          2HH2      ARG  16 -18.366   2.776   0.671
  149   1HH2  ARG  16          1HH1      ARG  16 -15.552   4.223  -0.749
  150   2HH2  ARG  16          2HH1      ARG  16 -17.177   4.486  -0.208
  151    H    LYS  17           H        LYS  17 -10.970  -2.806  -3.053
  152    HA   LYS  17           HA       LYS  17 -12.226  -4.140  -5.433
  153   1HB   LYS  17          2HB       LYS  17  -9.950  -2.873  -5.567
  154   2HB   LYS  17          1HB       LYS  17  -9.307  -4.256  -4.681
  155   1HG   LYS  17          2HG       LYS  17 -10.800  -5.478  -6.644
  156   2HG   LYS  17          1HG       LYS  17 -10.163  -4.067  -7.489
  157   1HD   LYS  17          2HD       LYS  17  -8.118  -5.288  -5.829
  158   2HD   LYS  17          1HD       LYS  17  -8.793  -6.459  -6.964
  159   1HE   LYS  17          2HE       LYS  17  -8.510  -4.541  -8.730
  160   2HE   LYS  17          1HE       LYS  17  -7.361  -3.874  -7.552
  161   1HZ   LYS  17          1HZ       LYS  17  -6.042  -5.331  -8.744
  162   2HZ   LYS  17          2HZ       LYS  17  -7.286  -6.470  -8.947
  163   3HZ   LYS  17          3HZ       LYS  17  -6.525  -6.299  -7.437
  164    H    CYS  18           H        CYS  18 -13.243  -5.937  -4.604
  165    HA   CYS  18           HA       CYS  18 -11.606  -7.915  -3.136
  166   1HB   CYS  18          2HB       CYS  18 -13.502  -6.080  -1.916
  167   2HB   CYS  18          1HB       CYS  18 -13.987  -7.755  -1.649
  168    H    ARG  19           H        ARG  19 -12.102  -9.854  -4.073
  169    HA   ARG  19           HA       ARG  19 -13.999 -10.377  -6.032
  170   1HB   ARG  19          2HB       ARG  19 -13.053 -12.222  -3.803
  171   2HB   ARG  19          1HB       ARG  19 -13.703 -12.747  -5.356
  172   1HG   ARG  19          2HG       ARG  19 -11.719 -10.960  -6.092
  173   2HG   ARG  19          1HG       ARG  19 -11.018 -11.775  -4.694
  174   1HD   ARG  19          2HD       ARG  19 -10.599 -13.598  -5.965
  175   2HD   ARG  19          1HD       ARG  19 -12.328 -13.740  -6.342
  176    HE   ARG  19           HE       ARG  19 -11.663 -11.719  -7.992
  177   1HH1  ARG  19          1HH1      ARG  19  -8.806 -12.920  -7.379
  178   2HH1  ARG  19          2HH1      ARG  19  -8.555 -13.799  -8.850
  179   1HH2  ARG  19          1HH2      ARG  19 -11.870 -13.598  -9.844
  180   2HH2  ARG  19          2HH2      ARG  19 -10.290 -14.183 -10.246
  Start of MODEL    8
    1   1H    ARG   1          1H        ARG   1  -1.503  -1.908   4.516
    2   2H    ARG   1          2H        ARG   1  -1.053  -3.278   3.619
    3   3H    ARG   1          3H        ARG   1  -1.135  -3.360   5.314
    4    HA   ARG   1           HA       ARG   1  -3.492  -3.197   5.315
    5   1HB   ARG   1          2HB       ARG   1  -2.907  -2.354   2.477
    6   2HB   ARG   1          1HB       ARG   1  -4.525  -2.877   2.947
    7   1HG   ARG   1          2HG       ARG   1  -4.902  -0.790   3.702
    8   2HG   ARG   1          1HG       ARG   1  -3.709  -1.096   4.964
    9   1HD   ARG   1          2HD       ARG   1  -2.139  -0.538   2.733
   10   2HD   ARG   1          1HD       ARG   1  -3.485   0.611   2.598
   11    HE   ARG   1           HE       ARG   1  -2.680   0.536   5.323
   12   1HH1  ARG   1          1HH1      ARG   1  -0.544   0.714   2.772
   13   2HH1  ARG   1          2HH1      ARG   1   0.048   2.302   3.132
   14   1HH2  ARG   1          1HH2      ARG   1  -2.339   2.928   5.568
   15   2HH2  ARG   1          2HH2      ARG   1  -0.968   3.555   4.715
   16    H    ARG   2           H        ARG   2  -4.484  -5.200   5.321
   17    HA   ARG   2           HA       ARG   2  -3.360  -7.293   3.487
   18   1HB   ARG   2          2HB       ARG   2  -4.322  -7.293   6.351
   19   2HB   ARG   2          1HB       ARG   2  -4.185  -8.794   5.436
   20   1HG   ARG   2          2HG       ARG   2  -1.802  -7.209   5.069
   21   2HG   ARG   2          1HG       ARG   2  -2.117  -7.425   6.790
   22   1HD   ARG   2          2HD       ARG   2  -2.547  -9.938   6.115
   23   2HD   ARG   2          1HD       ARG   2  -1.569  -9.512   4.696
   24    HE   ARG   2           HE       ARG   2  -0.592  -9.694   7.440
   25   1HH1  ARG   2          1HH1      ARG   2   0.507  -9.798   4.389
   26   2HH1  ARG   2          2HH1      ARG   2   1.843  -8.714   4.586
   27   1HH2  ARG   2          1HH2      ARG   2   0.812  -7.588   7.700
   28   2HH2  ARG   2          2HH2      ARG   2   2.016  -7.463   6.461
   29    H    TRP   3           H        TRP   3  -4.863  -8.667   2.447
   30    HA   TRP   3           HA       TRP   3  -6.942  -9.258   1.490
   31   1HB   TRP   3          2HB       TRP   3  -7.762  -8.347   4.268
   32   2HB   TRP   3          1HB       TRP   3  -8.804  -9.253   3.171
   33    HD1  TRP   3           HD1      TRP   3  -6.162  -9.697   5.735
   34    HE1  TRP   3           HE1      TRP   3  -5.435 -12.168   5.854
   35    HE3  TRP   3           HE3      TRP   3  -8.396 -11.479   1.503
   36    HZ2  TRP   3           HZ2      TRP   3  -5.759 -14.581   4.353
   37    HZ3  TRP   3           HZ3      TRP   3  -8.171 -13.865   0.872
   38    HH2  TRP   3           HH2      TRP   3  -6.856 -15.417   2.291
   39    H    CYS   4           H        CYS   4  -7.355  -7.779  -0.150
   40    HA   CYS   4           HA       CYS   4  -8.326  -5.907  -1.227
   41   1HB   CYS   4          2HB       CYS   4  -9.867  -6.160   1.363
   42   2HB   CYS   4          1HB       CYS   4 -10.295  -4.968   0.138
   43    H    PHE   5           H        PHE   5  -7.114  -4.079  -1.454
   44    HA   PHE   5           HA       PHE   5  -6.305  -2.578   1.009
   45   1HB   PHE   5          2HB       PHE   5  -5.162  -2.411  -1.792
   46   2HB   PHE   5          1HB       PHE   5  -4.408  -1.879  -0.289
   47    HD1  PHE   5           HD1      PHE   5  -4.983  -4.138   1.519
   48    HD2  PHE   5           HD2      PHE   5  -3.763  -4.131  -2.600
   49    HE1  PHE   5           HE1      PHE   5  -3.977  -6.385   1.813
   50    HE2  PHE   5           HE2      PHE   5  -2.756  -6.379  -2.305
   51    HZ   PHE   5           HZ       PHE   5  -2.864  -7.506  -0.098
   52    H    ARG   6           H        ARG   6  -8.331  -1.368   1.120
   53    HA   ARG   6           HA       ARG   6  -9.604   0.033  -0.962
   54   1HB   ARG   6          2HB       ARG   6 -10.378  -0.271   1.394
   55   2HB   ARG   6          1HB       ARG   6  -9.165   0.899   1.916
   56   1HG   ARG   6          2HG       ARG   6 -10.303   2.690   1.023
   57   2HG   ARG   6          1HG       ARG   6 -11.000   1.730  -0.282
   58   1HD   ARG   6          2HD       ARG   6 -12.870   2.114   1.098
   59   2HD   ARG   6          1HD       ARG   6 -12.304   0.539   1.690
   60    HE   ARG   6           HE       ARG   6 -10.837   2.201   3.241
   61   1HH1  ARG   6          1HH1      ARG   6 -13.670   3.507   2.071
   62   2HH1  ARG   6          2HH1      ARG   6 -14.417   3.751   3.615
   63   1HH2  ARG   6          1HH2      ARG   6 -12.002   1.976   5.359
   64   2HH2  ARG   6          2HH2      ARG   6 -13.473   2.883   5.476
   65    H    VAL   7           H        VAL   7  -9.005   1.784  -2.179
   66    HA   VAL   7           HA       VAL   7  -6.756   3.502  -1.185
   67    HB   VAL   7           HB       VAL   7  -7.239   2.475  -4.001
   68   1HG1  VAL   7          1HG1      VAL   7  -4.996   3.417  -4.437
   69   2HG1  VAL   7          2HG1      VAL   7  -4.930   4.020  -2.781
   70   3HG1  VAL   7          3HG1      VAL   7  -6.119   4.670  -3.909
   71   1HG2  VAL   7          1HG2      VAL   7  -6.049   1.217  -1.725
   72   2HG2  VAL   7          2HG2      VAL   7  -4.760   1.615  -2.862
   73   3HG2  VAL   7          3HG2      VAL   7  -6.119   0.621  -3.383
   74    H    CYS   8           H        CYS   8  -7.333   5.637  -1.186
   75    HA   CYS   8           HA       CYS   8  -9.678   6.462  -2.863
   76   1HB   CYS   8          2HB       CYS   8  -8.563   7.702  -0.330
   77   2HB   CYS   8          1HB       CYS   8 -10.104   8.080  -1.101
   78    H    TYR   9           H        TYR   9  -9.249   7.950  -4.449
   79    HA   TYR   9           HA       TYR   9  -6.544   9.053  -4.729
   80   1HB   TYR   9          2HB       TYR   9  -8.324   8.172  -6.484
   81   2HB   TYR   9          1HB       TYR   9  -8.914   9.833  -6.400
   82    HD1  TYR   9           HD1      TYR   9  -6.500   7.657  -7.887
   83    HD2  TYR   9           HD2      TYR   9  -7.112  11.726  -6.643
   84    HE1  TYR   9           HE1      TYR   9  -4.660   8.389  -9.373
   85    HE2  TYR   9           HE2      TYR   9  -5.271  12.454  -8.131
   86    HH   TYR   9           HH       TYR   9  -4.085  11.701 -10.091
   87    H    ARG  10           H        ARG  10  -6.409  10.496  -2.907
   88    HA   ARG  10           HA       ARG  10  -6.628  12.592  -1.848
   89   1HB   ARG  10          2HB       ARG  10  -7.398  12.980  -4.716
   90   2HB   ARG  10          1HB       ARG  10  -7.655  14.320  -3.599
   91   1HG   ARG  10          2HG       ARG  10  -5.028  12.861  -4.012
   92   2HG   ARG  10          1HG       ARG  10  -5.423  14.455  -4.656
   93   1HD   ARG  10          2HD       ARG  10  -5.973  14.991  -2.109
   94   2HD   ARG  10          1HD       ARG  10  -4.843  13.650  -1.826
   95    HE   ARG  10           HE       ARG  10  -3.904  15.588  -3.813
   96   1HH1  ARG  10          1HH2      ARG  10  -2.393  13.818  -1.738
   97   2HH1  ARG  10          2HH2      ARG  10  -1.701  15.054  -0.741
   98   1HH2  ARG  10          1HH1      ARG  10  -3.732  17.571  -1.993
   99   2HH2  ARG  10          2HH1      ARG  10  -2.459  17.179  -0.885
  100    H    GLY  11           H        GLY  11  -8.544  10.916  -1.017
  101   1HA   GLY  11          2HA       GLY  11 -10.802  10.692  -0.339
  102   2HA   GLY  11          1HA       GLY  11 -10.556  12.376   0.122
  103    H    ARG  12           H        ARG  12 -10.826  10.841  -3.106
  104    HA   ARG  12           HA       ARG  12 -13.091  12.729  -3.650
  105   1HB   ARG  12          2HB       ARG  12 -10.731  11.782  -5.255
  106   2HB   ARG  12          1HB       ARG  12 -12.175  12.374  -6.076
  107   1HG   ARG  12          2HG       ARG  12 -11.945  14.532  -5.212
  108   2HG   ARG  12          1HG       ARG  12 -10.956  13.990  -3.856
  109   1HD   ARG  12          2HD       ARG  12  -9.013  13.970  -5.105
  110   2HD   ARG  12          1HD       ARG  12  -9.863  13.550  -6.605
  111    HE   ARG  12           HE       ARG  12 -10.867  16.000  -6.226
  112   1HH1  ARG  12          1HH2      ARG  12  -8.884  16.829  -4.233
  113   2HH1  ARG  12          2HH2      ARG  12  -7.597  17.475  -5.194
  114   1HH2  ARG  12          1HH1      ARG  12  -8.679  15.975  -8.127
  115   2HH2  ARG  12          2HH1      ARG  12  -7.480  16.991  -7.399
  116    H    PHE  13           H        PHE  13 -12.046   9.475  -3.576
  117    HA   PHE  13           HA       PHE  13 -14.557   8.265  -3.872
  118   1HB   PHE  13          2HB       PHE  13 -13.513   9.383  -6.316
  119   2HB   PHE  13          1HB       PHE  13 -13.639   7.631  -6.478
  120    HD1  PHE  13           HD1      PHE  13 -15.374  10.376  -7.332
  121    HD2  PHE  13           HD2      PHE  13 -15.920   6.878  -4.899
  122    HE1  PHE  13           HE1      PHE  13 -17.831  10.571  -7.603
  123    HE2  PHE  13           HE2      PHE  13 -18.377   7.073  -5.170
  124    HZ   PHE  13           HZ       PHE  13 -19.333   8.919  -6.521
  125    H    CYS  14           H        CYS  14 -13.708   6.652  -2.552
  126    HA   CYS  14           HA       CYS  14 -11.159   5.351  -3.040
  127   1HB   CYS  14          2HB       CYS  14 -13.555   4.504  -1.381
  128   2HB   CYS  14          1HB       CYS  14 -11.902   3.923  -1.190
  129    H    TYR  15           H        TYR  15 -10.787   3.349  -4.039
  130    HA   TYR  15           HA       TYR  15 -13.152   1.979  -5.265
  131   1HB   TYR  15          2HB       TYR  15 -11.570   1.679  -7.276
  132   2HB   TYR  15          1HB       TYR  15 -12.209   3.301  -7.015
  133    HD1  TYR  15           HD1      TYR  15 -10.789   5.053  -5.952
  134    HD2  TYR  15           HD2      TYR  15  -9.229   1.195  -7.014
  135    HE1  TYR  15           HE1      TYR  15  -8.480   5.935  -5.759
  136    HE2  TYR  15           HE2      TYR  15  -6.919   2.076  -6.820
  137    HH   TYR  15           HH       TYR  15  -5.909   4.648  -7.056
  138    H    ARG  16           H        ARG  16 -12.769   0.531  -3.364
  139    HA   ARG  16           HA       ARG  16 -10.490  -0.873  -2.665
  140   1HB   ARG  16          2HB       ARG  16 -13.370  -1.196  -2.557
  141   2HB   ARG  16          1HB       ARG  16 -12.581  -2.763  -2.747
  142   1HG   ARG  16          2HG       ARG  16 -11.241  -2.429  -0.792
  143   2HG   ARG  16          1HG       ARG  16 -11.686  -0.725  -0.698
  144   1HD   ARG  16          2HD       ARG  16 -13.909  -1.230  -0.006
  145   2HD   ARG  16          1HD       ARG  16 -13.753  -2.931  -0.489
  146    HE   ARG  16           HE       ARG  16 -12.006  -1.806   1.661
  147   1HH1  ARG  16          1HH1      ARG  16 -14.804  -3.600   0.947
  148   2HH1  ARG  16          2HH1      ARG  16 -14.472  -4.864   2.084
  149   1HH2  ARG  16          1HH2      ARG  16 -11.335  -3.648   2.924
  150   2HH2  ARG  16          2HH2      ARG  16 -12.509  -4.892   3.203
  151    H    LYS  17           H        LYS  17  -9.876  -3.172  -3.277
  152    HA   LYS  17           HA       LYS  17 -10.476  -3.872  -6.112
  153   1HB   LYS  17          2HB       LYS  17  -8.003  -4.112  -6.480
  154   2HB   LYS  17          1HB       LYS  17  -8.493  -2.449  -6.152
  155   1HG   LYS  17          2HG       LYS  17  -8.004  -3.050  -3.660
  156   2HG   LYS  17          1HG       LYS  17  -7.075  -4.388  -4.338
  157   1HD   LYS  17          2HD       LYS  17  -6.480  -1.935  -5.754
  158   2HD   LYS  17          1HD       LYS  17  -6.219  -1.722  -4.023
  159   1HE   LYS  17          2HE       LYS  17  -4.147  -2.579  -4.856
  160   2HE   LYS  17          1HE       LYS  17  -4.952  -3.986  -4.135
  161   1HZ   LYS  17          1HZ       LYS  17  -4.481  -4.775  -6.227
  162   2HZ   LYS  17          2HZ       LYS  17  -4.670  -3.260  -6.971
  163   3HZ   LYS  17          3HZ       LYS  17  -6.035  -4.145  -6.479
  164    H    CYS  18           H        CYS  18 -11.379  -5.871  -5.699
  165    HA   CYS  18           HA       CYS  18  -9.642  -7.880  -4.328
  166   1HB   CYS  18          2HB       CYS  18 -12.616  -7.544  -3.842
  167   2HB   CYS  18          1HB       CYS  18 -11.501  -8.585  -2.957
  168    H    ARG  19           H        ARG  19  -9.909 -10.000  -5.170
  169    HA   ARG  19           HA       ARG  19 -12.077 -10.688  -6.994
  170   1HB   ARG  19          2HB       ARG  19  -9.893  -9.189  -7.974
  171   2HB   ARG  19          1HB       ARG  19  -9.635 -10.838  -8.546
  172   1HG   ARG  19          2HG       ARG  19 -12.420  -9.875  -8.762
  173   2HG   ARG  19          1HG       ARG  19 -11.263  -9.030  -9.790
  174   1HD   ARG  19          2HD       ARG  19 -11.721 -12.034  -9.692
  175   2HD   ARG  19          1HD       ARG  19 -12.108 -10.943 -11.039
  176    HE   ARG  19           HE       ARG  19  -9.544 -12.055 -10.621
  177   1HH1  ARG  19          1HH1      ARG  19 -10.362 -10.361 -12.990
  178   2HH1  ARG  19          2HH1      ARG  19  -9.281  -9.015 -12.845
  179   1HH2  ARG  19          1HH2      ARG  19  -8.428  -9.716  -9.558
  180   2HH2  ARG  19          2HH2      ARG  19  -8.186  -8.649 -10.902
  Start of MODEL    9
    1   1H    ARG   1          1H        ARG   1  -9.661 -14.576   6.074
    2   2H    ARG   1          2H        ARG   1  -9.118 -16.186   6.036
    3   3H    ARG   1          3H        ARG   1 -10.398 -15.695   5.034
    4    HA   ARG   1           HA       ARG   1  -7.567 -14.794   4.823
    5   1HB   ARG   1          2HB       ARG   1  -9.023 -17.091   3.956
    6   2HB   ARG   1          1HB       ARG   1  -8.701 -16.101   2.531
    7   1HG   ARG   1          2HG       ARG   1  -6.292 -15.955   3.797
    8   2HG   ARG   1          1HG       ARG   1  -6.813 -17.573   4.269
    9   1HD   ARG   1          2HD       ARG   1  -6.661 -18.388   2.125
   10   2HD   ARG   1          1HD       ARG   1  -7.202 -16.860   1.402
   11    HE   ARG   1           HE       ARG   1  -4.648 -16.503   2.686
   12   1HH1  ARG   1          1HH1      ARG   1  -6.259 -16.664  -0.253
   13   2HH1  ARG   1          2HH1      ARG   1  -4.859 -17.036  -1.202
   14   1HH2  ARG   1          1HH2      ARG   1  -2.794 -17.502   1.544
   15   2HH2  ARG   1          2HH2      ARG   1  -2.897 -17.510  -0.185
   16    H    ARG   2           H        ARG   2  -7.828 -12.593   4.414
   17    HA   ARG   2           HA       ARG   2  -9.244 -11.836   1.945
   18   1HB   ARG   2          2HB       ARG   2 -10.426 -11.656   4.576
   19   2HB   ARG   2          1HB       ARG   2 -10.227 -10.038   3.902
   20   1HG   ARG   2          2HG       ARG   2 -11.318 -10.847   1.791
   21   2HG   ARG   2          1HG       ARG   2 -11.645 -12.379   2.602
   22   1HD   ARG   2          2HD       ARG   2 -12.590  -9.675   3.622
   23   2HD   ARG   2          1HD       ARG   2 -13.602 -10.825   2.723
   24    HE   ARG   2           HE       ARG   2 -12.255 -12.075   4.979
   25   1HH1  ARG   2          1HH1      ARG   2 -13.945  -9.502   5.696
   26   2HH1  ARG   2          2HH1      ARG   2 -15.396 -10.271   6.247
   27   1HH2  ARG   2          1HH2      ARG   2 -14.561 -13.374   4.946
   28   2HH2  ARG   2          2HH2      ARG   2 -15.745 -12.463   5.822
   29    H    TRP   3           H        TRP   3  -7.676 -10.571   1.015
   30    HA   TRP   3           HA       TRP   3  -6.266  -8.576   2.760
   31   1HB   TRP   3          2HB       TRP   3  -5.224 -10.789   1.459
   32   2HB   TRP   3          1HB       TRP   3  -4.885  -9.477   0.330
   33    HD1  TRP   3           HD1      TRP   3  -2.661 -10.984   2.149
   34    HE1  TRP   3           HE1      TRP   3  -1.184  -9.541   3.694
   35    HE3  TRP   3           HE3      TRP   3  -5.573  -6.803   2.501
   36    HZ2  TRP   3           HZ2      TRP   3  -1.233  -6.956   4.917
   37    HZ3  TRP   3           HZ3      TRP   3  -4.834  -4.867   3.861
   38    HH2  TRP   3           HH2      TRP   3  -2.669  -4.938   5.068
   39    H    CYS   4           H        CYS   4  -7.978  -7.038   2.062
   40    HA   CYS   4           HA       CYS   4  -7.948  -6.307  -0.826
   41   1HB   CYS   4          2HB       CYS   4 -10.045  -6.672   0.598
   42   2HB   CYS   4          1HB       CYS   4  -9.620  -5.174   1.429
   43    H    PHE   5           H        PHE   5  -7.163  -4.326  -1.525
   44    HA   PHE   5           HA       PHE   5  -5.769  -2.643   0.528
   45   1HB   PHE   5          2HB       PHE   5  -5.237  -2.859  -2.448
   46   2HB   PHE   5          1HB       PHE   5  -4.175  -2.173  -1.218
   47    HD1  PHE   5           HD1      PHE   5  -3.729  -3.873   0.843
   48    HD2  PHE   5           HD2      PHE   5  -4.731  -5.011  -3.175
   49    HE1  PHE   5           HE1      PHE   5  -2.722  -6.107   1.225
   50    HE2  PHE   5           HE2      PHE   5  -3.725  -7.245  -2.793
   51    HZ   PHE   5           HZ       PHE   5  -2.721  -7.794  -0.593
   52    H    ARG   6           H        ARG   6  -7.721  -1.353   0.902
   53    HA   ARG   6           HA       ARG   6  -9.210  -0.058  -1.179
   54   1HB   ARG   6          2HB       ARG   6  -9.254  -0.338   1.596
   55   2HB   ARG   6          1HB       ARG   6  -9.004   1.391   1.352
   56   1HG   ARG   6          2HG       ARG   6 -10.924   0.786  -0.542
   57   2HG   ARG   6          1HG       ARG   6 -11.382  -0.242   0.816
   58   1HD   ARG   6          2HD       ARG   6 -10.669   2.636   1.338
   59   2HD   ARG   6          1HD       ARG   6 -12.288   2.226   0.735
   60    HE   ARG   6           HE       ARG   6 -11.130   0.910   3.165
   61   1HH1  ARG   6          1HH1      ARG   6 -13.703  -0.143   2.100
   62   2HH1  ARG   6          2HH1      ARG   6 -14.877   0.740   3.017
   63   1HH2  ARG   6          1HH2      ARG   6 -12.628   3.166   4.059
   64   2HH2  ARG   6          2HH2      ARG   6 -14.268   2.614   4.126
   65    H    VAL   7           H        VAL   7  -8.813   1.831  -2.283
   66    HA   VAL   7           HA       VAL   7  -6.502   3.527  -1.408
   67    HB   VAL   7           HB       VAL   7  -7.175   2.483  -4.180
   68   1HG1  VAL   7          1HG1      VAL   7  -5.064   3.652  -4.838
   69   2HG1  VAL   7          2HG1      VAL   7  -5.008   4.382  -3.233
   70   3HG1  VAL   7          3HG1      VAL   7  -6.334   4.766  -4.331
   71   1HG2  VAL   7          1HG2      VAL   7  -4.635   1.724  -3.715
   72   2HG2  VAL   7          2HG2      VAL   7  -6.012   0.727  -3.247
   73   3HG2  VAL   7          3HG2      VAL   7  -5.218   1.753  -2.051
   74    H    CYS   8           H        CYS   8  -7.488   5.450  -0.902
   75    HA   CYS   8           HA       CYS   8  -9.916   6.328  -2.322
   76   1HB   CYS   8          2HB       CYS   8  -8.247   7.244   0.014
   77   2HB   CYS   8          1HB       CYS   8  -9.502   8.291  -0.648
   78    H    TYR   9           H        TYR   9  -9.968   8.671  -3.128
   79    HA   TYR   9           HA       TYR   9  -7.411   9.273  -4.579
   80   1HB   TYR   9          2HB       TYR   9  -9.856   8.737  -5.583
   81   2HB   TYR   9          1HB       TYR   9 -10.029  10.478  -5.349
   82    HD1  TYR   9           HD1      TYR   9  -9.803  11.472  -7.477
   83    HD2  TYR   9           HD2      TYR   9  -7.017   8.433  -6.263
   84    HE1  TYR   9           HE1      TYR   9  -8.461  11.885  -9.518
   85    HE2  TYR   9           HE2      TYR   9  -5.679   8.849  -8.305
   86    HH   TYR   9           HH       TYR   9  -6.315  11.555 -10.403
   87    H    ARG  10           H        ARG  10  -6.424  10.653  -3.030
   88    HA   ARG  10           HA       ARG  10  -6.048  12.690  -1.894
   89   1HB   ARG  10          2HB       ARG  10  -6.504  13.496  -4.196
   90   2HB   ARG  10          1HB       ARG  10  -8.228  13.547  -3.828
   91   1HG   ARG  10          2HG       ARG  10  -7.449  15.053  -1.808
   92   2HG   ARG  10          1HG       ARG  10  -6.024  15.312  -2.815
   93   1HD   ARG  10          2HD       ARG  10  -8.835  15.676  -3.889
   94   2HD   ARG  10          1HD       ARG  10  -7.913  17.003  -3.154
   95    HE   ARG  10           HE       ARG  10  -7.016  15.471  -5.564
   96   1HH1  ARG  10          1HH2      ARG  10  -5.031  16.984  -3.723
   97   2HH1  ARG  10          2HH2      ARG  10  -4.844  18.456  -4.618
   98   1HH2  ARG  10          1HH1      ARG  10  -7.616  17.899  -6.624
   99   2HH2  ARG  10          2HH1      ARG  10  -6.308  18.973  -6.261
  100    H    GLY  11           H        GLY  11  -7.440  11.118  -0.295
  101   1HA   GLY  11          2HA       GLY  11  -9.000  11.056   1.457
  102   2HA   GLY  11          1HA       GLY  11  -8.969  12.818   1.371
  103    H    ARG  12           H        ARG  12  -9.902  11.037  -1.468
  104    HA   ARG  12           HA       ARG  12 -12.772  11.095  -0.892
  105   1HB   ARG  12          2HB       ARG  12 -11.331  13.266  -2.369
  106   2HB   ARG  12          1HB       ARG  12 -12.947  12.818  -2.916
  107   1HG   ARG  12          2HG       ARG  12 -13.519  12.984  -0.336
  108   2HG   ARG  12          1HG       ARG  12 -12.099  14.030  -0.310
  109   1HD   ARG  12          2HD       ARG  12 -13.209  15.218  -2.352
  110   2HD   ARG  12          1HD       ARG  12 -14.696  14.424  -1.795
  111    HE   ARG  12           HE       ARG  12 -14.379  15.548   0.393
  112   1HH1  ARG  12          1HH2      ARG  12 -11.543  16.236   0.398
  113   2HH1  ARG  12          2HH2      ARG  12 -11.528  17.903  -0.071
  114   1HH2  ARG  12          1HH1      ARG  12 -14.747  17.846  -1.358
  115   2HH2  ARG  12          2HH1      ARG  12 -13.342  18.815  -1.064
  116    H    PHE  13           H        PHE  13 -13.914   9.879  -2.438
  117    HA   PHE  13           HA       PHE  13 -14.275   8.509  -4.330
  118   1HB   PHE  13          2HB       PHE  13 -11.685   9.623  -5.415
  119   2HB   PHE  13          1HB       PHE  13 -13.117   9.115  -6.307
  120    HD1  PHE  13           HD1      PHE  13 -15.325  10.400  -4.953
  121    HD2  PHE  13           HD2      PHE  13 -11.388  11.922  -5.749
  122    HE1  PHE  13           HE1      PHE  13 -16.204  12.717  -4.866
  123    HE2  PHE  13           HE2      PHE  13 -12.266  14.240  -5.663
  124    HZ   PHE  13           HZ       PHE  13 -14.675  14.636  -5.221
  125    H    CYS  14           H        CYS  14 -13.885   6.547  -3.206
  126    HA   CYS  14           HA       CYS  14 -11.082   5.496  -3.400
  127   1HB   CYS  14          2HB       CYS  14 -13.231   4.596  -1.473
  128   2HB   CYS  14          1HB       CYS  14 -11.490   4.350  -1.348
  129    H    TYR  15           H        TYR  15 -10.859   3.270  -3.966
  130    HA   TYR  15           HA       TYR  15 -13.300   1.869  -4.954
  131   1HB   TYR  15          2HB       TYR  15 -12.242   1.542  -7.147
  132   2HB   TYR  15          1HB       TYR  15 -12.350   3.265  -6.787
  133    HD1  TYR  15           HD1      TYR  15 -10.259   4.257  -5.472
  134    HD2  TYR  15           HD2      TYR  15 -10.195   0.688  -7.860
  135    HE1  TYR  15           HE1      TYR  15  -7.800   4.464  -5.718
  136    HE2  TYR  15           HE2      TYR  15  -7.736   0.894  -8.105
  137    HH   TYR  15           HH       TYR  15  -5.984   3.676  -6.746
  138    H    ARG  16           H        ARG  16 -12.736   0.503  -3.057
  139    HA   ARG  16           HA       ARG  16 -10.384  -0.801  -2.442
  140   1HB   ARG  16          2HB       ARG  16 -11.918  -2.708  -1.782
  141   2HB   ARG  16          1HB       ARG  16 -12.442  -1.123  -1.211
  142   1HG   ARG  16          2HG       ARG  16 -13.607  -1.288  -3.716
  143   2HG   ARG  16          1HG       ARG  16 -13.738  -2.940  -3.113
  144   1HD   ARG  16          2HD       ARG  16 -14.599  -1.836  -0.912
  145   2HD   ARG  16          1HD       ARG  16 -14.886  -0.413  -1.932
  146    HE   ARG  16           HE       ARG  16 -15.942  -2.500  -3.414
  147   1HH1  ARG  16          1HH2      ARG  16 -17.564  -0.299  -2.051
  148   2HH1  ARG  16          2HH2      ARG  16 -18.669  -1.238  -1.105
  149   1HH2  ARG  16          1HH1      ARG  16 -16.840  -4.170  -1.395
  150   2HH2  ARG  16          2HH1      ARG  16 -18.260  -3.429  -0.733
  151    H    LYS  17           H        LYS  17  -9.361  -2.767  -3.168
  152    HA   LYS  17           HA       LYS  17 -10.233  -3.751  -5.861
  153   1HB   LYS  17          2HB       LYS  17  -8.205  -2.051  -5.582
  154   2HB   LYS  17          1HB       LYS  17  -7.334  -3.517  -5.134
  155   1HG   LYS  17          2HG       LYS  17  -8.381  -4.532  -7.285
  156   2HG   LYS  17          1HG       LYS  17  -8.681  -2.857  -7.745
  157   1HD   LYS  17          2HD       LYS  17  -5.961  -3.884  -6.899
  158   2HD   LYS  17          1HD       LYS  17  -6.486  -3.799  -8.581
  159   1HE   LYS  17          2HE       LYS  17  -5.573  -1.693  -8.486
  160   2HE   LYS  17          1HE       LYS  17  -7.111  -1.273  -7.704
  161   1HZ   LYS  17          1HZ       LYS  17  -6.202  -1.569  -5.588
  162   2HZ   LYS  17          2HZ       LYS  17  -4.983  -0.739  -6.432
  163   3HZ   LYS  17          3HZ       LYS  17  -4.852  -2.412  -6.173
  164    H    CYS  18           H        CYS  18 -11.041  -5.704  -5.047
  165    HA   CYS  18           HA       CYS  18  -9.132  -7.809  -4.514
  166   1HB   CYS  18          2HB       CYS  18  -9.938  -8.169  -2.122
  167   2HB   CYS  18          1HB       CYS  18  -8.933  -6.740  -2.367
  168    H    ARG  19           H        ARG  19 -10.132  -9.675  -5.176
  169    HA   ARG  19           HA       ARG  19 -13.126  -9.816  -4.990
  170   1HB   ARG  19          2HB       ARG  19 -11.256 -10.682  -7.230
  171   2HB   ARG  19          1HB       ARG  19 -13.000 -10.947  -7.218
  172   1HG   ARG  19          2HG       ARG  19 -11.862  -8.180  -6.850
  173   2HG   ARG  19          1HG       ARG  19 -12.091  -8.856  -8.463
  174   1HD   ARG  19          2HD       ARG  19 -14.504  -9.355  -7.778
  175   2HD   ARG  19          1HD       ARG  19 -14.207  -8.330  -6.360
  176    HE   ARG  19           HE       ARG  19 -14.468  -6.517  -7.843
  177   1HH1  ARG  19          1HH2      ARG  19 -14.858  -8.810 -10.021
  178   2HH1  ARG  19          2HH2      ARG  19 -13.823  -8.176 -11.257
  179   1HH2  ARG  19          1HH1      ARG  19 -12.317  -5.851  -9.170
  180   2HH2  ARG  19          2HH1      ARG  19 -12.384  -6.500 -10.774
  Start of MODEL   10
    1   1H    ARG   1          1H        ARG   1  -5.833 -16.044   6.214
    2   2H    ARG   1          2H        ARG   1  -4.973 -15.088   5.105
    3   3H    ARG   1          3H        ARG   1  -6.526 -15.653   4.716
    4    HA   ARG   1           HA       ARG   1  -7.430 -14.316   6.595
    5   1HB   ARG   1          2HB       ARG   1  -4.761 -14.368   7.287
    6   2HB   ARG   1          1HB       ARG   1  -4.946 -12.730   6.659
    7   1HG   ARG   1          2HG       ARG   1  -7.196 -12.926   8.171
    8   2HG   ARG   1          1HG       ARG   1  -6.104 -13.960   9.093
    9   1HD   ARG   1          2HD       ARG   1  -4.568 -11.699   8.387
   10   2HD   ARG   1          1HD       ARG   1  -6.136 -11.069   8.932
   11    HE   ARG   1           HE       ARG   1  -4.548 -13.043  10.536
   12   1HH1  ARG   1          1HH1      ARG   1  -7.405 -11.312  10.474
   13   2HH1  ARG   1          2HH1      ARG   1  -7.216 -10.589  12.036
   14   1HH2  ARG   1          1HH2      ARG   1  -3.950 -11.681  12.440
   15   2HH2  ARG   1          2HH2      ARG   1  -5.259 -10.798  13.150
   16    H    ARG   2           H        ARG   2  -8.528 -13.815   4.535
   17    HA   ARG   2           HA       ARG   2  -7.502 -12.229   2.433
   18   1HB   ARG   2          2HB       ARG   2 -10.185 -12.785   3.653
   19   2HB   ARG   2          1HB       ARG   2 -10.070 -11.546   2.404
   20   1HG   ARG   2          2HG       ARG   2 -10.208 -13.234   0.907
   21   2HG   ARG   2          1HG       ARG   2  -8.558 -13.642   1.379
   22   1HD   ARG   2          2HD       ARG   2 -10.023 -15.626   1.575
   23   2HD   ARG   2          1HD       ARG   2  -9.475 -15.114   3.183
   24    HE   ARG   2           HE       ARG   2 -11.765 -13.668   2.922
   25   1HH1  ARG   2          1HH2      ARG   2 -12.552 -15.763   0.842
   26   2HH1  ARG   2          2HH2      ARG   2 -13.466 -16.869   1.814
   27   1HH2  ARG   2          1HH1      ARG   2 -12.282 -15.614   4.822
   28   2HH2  ARG   2          2HH1      ARG   2 -13.312 -16.783   4.068
   29    H    TRP   3           H        TRP   3  -7.529  -9.951   2.071
   30    HA   TRP   3           HA       TRP   3  -8.271  -8.190   4.358
   31   1HB   TRP   3          2HB       TRP   3  -5.751  -9.103   4.139
   32   2HB   TRP   3          1HB       TRP   3  -5.637  -7.736   3.029
   33    HD1  TRP   3           HD1      TRP   3  -6.037  -8.608   6.690
   34    HE1  TRP   3           HE1      TRP   3  -5.868  -6.455   8.099
   35    HE3  TRP   3           HE3      TRP   3  -6.105  -5.111   2.969
   36    HZ2  TRP   3           HZ2      TRP   3  -5.775  -3.623   7.699
   37    HZ3  TRP   3           HZ3      TRP   3  -5.975  -2.697   3.510
   38    HH2  TRP   3           HH2      TRP   3  -5.810  -1.948   5.869
   39    H    CYS   4           H        CYS   4  -9.940  -7.349   2.956
   40    HA   CYS   4           HA       CYS   4  -9.752  -6.540   0.285
   41   1HB   CYS   4          2HB       CYS   4 -11.195  -5.445   2.704
   42   2HB   CYS   4          1HB       CYS   4 -11.449  -4.760   1.099
   43    H    PHE   5           H        PHE   5  -8.386  -5.114  -0.705
   44    HA   PHE   5           HA       PHE   5  -6.550  -3.420   0.717
   45   1HB   PHE   5          2HB       PHE   5  -7.534  -3.419  -2.158
   46   2HB   PHE   5          1HB       PHE   5  -6.093  -2.577  -1.586
   47    HD1  PHE   5           HD1      PHE   5  -5.064  -4.565   0.390
   48    HD2  PHE   5           HD2      PHE   5  -6.639  -5.102  -3.570
   49    HE1  PHE   5           HE1      PHE   5  -3.747  -6.653   0.149
   50    HE2  PHE   5           HE2      PHE   5  -5.323  -7.189  -3.811
   51    HZ   PHE   5           HZ       PHE   5  -3.877  -7.965  -1.952
   52    H    ARG   6           H        ARG   6  -6.562  -0.935  -0.247
   53    HA   ARG   6           HA       ARG   6  -9.241   0.272  -0.272
   54   1HB   ARG   6          2HB       ARG   6  -8.694   1.571   1.852
   55   2HB   ARG   6          1HB       ARG   6  -9.013  -0.148   2.087
   56   1HG   ARG   6          2HG       ARG   6  -6.862  -0.600   2.691
   57   2HG   ARG   6          1HG       ARG   6  -6.191   0.536   1.519
   58   1HD   ARG   6          2HD       ARG   6  -7.477   2.224   3.292
   59   2HD   ARG   6          1HD       ARG   6  -6.826   0.962   4.356
   60    HE   ARG   6           HE       ARG   6  -4.614   1.337   3.125
   61   1HH1  ARG   6          1HH2      ARG   6  -6.658   3.727   4.331
   62   2HH1  ARG   6          2HH2      ARG   6  -5.776   5.059   3.662
   63   1HH2  ARG   6          1HH1      ARG   6  -3.644   3.055   1.800
   64   2HH2  ARG   6          2HH1      ARG   6  -4.069   4.679   2.229
   65    H    VAL   7           H        VAL   7  -8.944   1.820  -1.819
   66    HA   VAL   7           HA       VAL   7  -6.495   3.540  -1.646
   67    HB   VAL   7           HB       VAL   7  -7.753   2.535  -4.211
   68   1HG1  VAL   7          1HG1      VAL   7  -4.897   3.377  -3.777
   69   2HG1  VAL   7          2HG1      VAL   7  -6.152   4.597  -4.006
   70   3HG1  VAL   7          3HG1      VAL   7  -5.846   3.398  -5.264
   71   1HG2  VAL   7          1HG2      VAL   7  -5.860   0.893  -4.256
   72   2HG2  VAL   7          2HG2      VAL   7  -7.015   0.575  -2.962
   73   3HG2  VAL   7          3HG2      VAL   7  -5.473   1.349  -2.597
   74    H    CYS   8           H        CYS   8  -7.172   5.629  -1.394
   75    HA   CYS   8           HA       CYS   8  -9.785   6.417  -2.638
   76   1HB   CYS   8          2HB       CYS   8  -8.804   6.494   0.046
   77   2HB   CYS   8          1HB       CYS   8  -8.998   8.157  -0.508
   78    H    TYR   9           H        TYR   9  -9.898   8.707  -3.325
   79    HA   TYR   9           HA       TYR   9  -7.260   9.617  -4.394
   80   1HB   TYR   9          2HB       TYR   9  -9.709   9.230  -5.540
   81   2HB   TYR   9          1HB       TYR   9  -9.788  10.953  -5.170
   82    HD1  TYR   9           HD1      TYR   9  -7.122   8.573  -6.360
   83    HD2  TYR   9           HD2      TYR   9  -9.141  12.320  -6.954
   84    HE1  TYR   9           HE1      TYR   9  -5.658   9.057  -8.298
   85    HE2  TYR   9           HE2      TYR   9  -7.676  12.801  -8.891
   86    HH   TYR   9           HH       TYR   9  -5.888  10.535 -10.450
   87    H    ARG  10           H        ARG  10  -6.288  10.972  -2.902
   88    HA   ARG  10           HA       ARG  10  -6.030  12.787  -1.403
   89   1HB   ARG  10          2HB       ARG  10  -8.073  13.642  -3.455
   90   2HB   ARG  10          1HB       ARG  10  -7.560  14.751  -2.185
   91   1HG   ARG  10          2HG       ARG  10  -5.621  13.316  -4.017
   92   2HG   ARG  10          1HG       ARG  10  -6.240  14.935  -4.337
   93   1HD   ARG  10          2HD       ARG  10  -5.205  15.831  -2.376
   94   2HD   ARG  10          1HD       ARG  10  -4.865  14.212  -1.732
   95    HE   ARG  10           HE       ARG  10  -3.404  15.531  -3.937
   96   1HH1  ARG  10          1HH2      ARG  10  -1.997  14.227  -1.667
   97   2HH1  ARG  10          2HH2      ARG  10  -1.503  12.714  -2.349
   98   1HH2  ARG  10          1HH1      ARG  10  -3.686  12.910  -5.035
   99   2HH2  ARG  10          2HH1      ARG  10  -2.459  11.969  -4.257
  100    H    GLY  11           H        GLY  11  -7.317  10.946  -0.031
  101   1HA   GLY  11          2HA       GLY  11  -8.895  10.534   1.659
  102   2HA   GLY  11          1HA       GLY  11  -8.933  12.289   1.852
  103    H    ARG  12           H        ARG  12  -9.772  10.885  -1.224
  104    HA   ARG  12           HA       ARG  12 -12.668  10.905  -0.663
  105   1HB   ARG  12          2HB       ARG  12 -11.151  13.052  -2.109
  106   2HB   ARG  12          1HB       ARG  12 -12.785  12.662  -2.646
  107   1HG   ARG  12          2HG       ARG  12 -13.087  12.776   0.090
  108   2HG   ARG  12          1HG       ARG  12 -11.901  14.048  -0.209
  109   1HD   ARG  12          2HD       ARG  12 -13.496  15.398  -1.083
  110   2HD   ARG  12          1HD       ARG  12 -14.017  14.125  -2.206
  111    HE   ARG  12           HE       ARG  12 -14.963  13.292   0.278
  112   1HH1  ARG  12          1HH1      ARG  12 -16.202  14.768  -2.340
  113   2HH1  ARG  12          2HH1      ARG  12 -17.369  15.750  -1.518
  114   1HH2  ARG  12          1HH2      ARG  12 -16.061  15.130   1.633
  115   2HH2  ARG  12          2HH2      ARG  12 -17.288  15.956   0.730
  116    H    PHE  13           H        PHE  13 -13.818   9.776  -2.273
  117    HA   PHE  13           HA       PHE  13 -14.177   8.442  -4.188
  118   1HB   PHE  13          2HB       PHE  13 -11.510   9.490  -5.154
  119   2HB   PHE  13          1HB       PHE  13 -12.891   8.982  -6.120
  120    HD1  PHE  13           HD1      PHE  13 -11.349  11.735  -6.070
  121    HD2  PHE  13           HD2      PHE  13 -15.006  10.327  -4.312
  122    HE1  PHE  13           HE1      PHE  13 -12.232  14.053  -6.049
  123    HE2  PHE  13           HE2      PHE  13 -15.888  12.645  -4.289
  124    HZ   PHE  13           HZ       PHE  13 -14.501  14.508  -5.158
  125    H    CYS  14           H        CYS  14 -13.914   6.466  -3.055
  126    HA   CYS  14           HA       CYS  14 -11.159   5.328  -2.930
  127   1HB   CYS  14          2HB       CYS  14 -13.603   5.244  -1.329
  128   2HB   CYS  14          1HB       CYS  14 -12.939   3.637  -1.619
  129    H    TYR  15           H        TYR  15 -10.780   3.201  -3.759
  130    HA   TYR  15           HA       TYR  15 -12.798   2.300  -5.789
  131   1HB   TYR  15          2HB       TYR  15  -9.803   1.828  -5.780
  132   2HB   TYR  15          1HB       TYR  15 -10.916   1.641  -7.136
  133    HD1  TYR  15           HD1      TYR  15  -8.532   3.774  -5.699
  134    HD2  TYR  15           HD2      TYR  15 -12.355   3.854  -7.656
  135    HE1  TYR  15           HE1      TYR  15  -8.155   6.141  -6.339
  136    HE2  TYR  15           HE2      TYR  15 -11.978   6.221  -8.295
  137    HH   TYR  15           HH       TYR  15 -10.549   8.173  -7.352
  138    H    ARG  16           H        ARG  16 -13.697   1.094  -3.853
  139    HA   ARG  16           HA       ARG  16 -12.195  -0.973  -2.542
  140   1HB   ARG  16          2HB       ARG  16 -15.163  -0.592  -3.057
  141   2HB   ARG  16          1HB       ARG  16 -14.488  -1.720  -1.880
  142   1HG   ARG  16          2HG       ARG  16 -13.288   0.856  -1.480
  143   2HG   ARG  16          1HG       ARG  16 -15.042   1.045  -1.517
  144   1HD   ARG  16          2HD       ARG  16 -14.534   0.544   0.763
  145   2HD   ARG  16          1HD       ARG  16 -15.094  -0.998   0.088
  146    HE   ARG  16           HE       ARG  16 -12.347  -0.381   0.872
  147   1HH1  ARG  16          1HH1      ARG  16 -14.490  -2.801   0.085
  148   2HH1  ARG  16          2HH1      ARG  16 -13.335  -3.831  -0.695
  149   1HH2  ARG  16          1HH2      ARG  16 -10.808  -1.457  -0.676
  150   2HH2  ARG  16          2HH2      ARG  16 -11.251  -3.070  -1.125
  151    H    LYS  17           H        LYS  17 -12.168  -3.242  -2.978
  152    HA   LYS  17           HA       LYS  17 -13.607  -4.450  -5.182
  153   1HB   LYS  17          2HB       LYS  17 -11.595  -2.827  -5.997
  154   2HB   LYS  17          1HB       LYS  17 -10.693  -4.327  -5.774
  155   1HG   LYS  17          2HG       LYS  17 -12.470  -5.484  -7.163
  156   2HG   LYS  17          1HG       LYS  17 -13.116  -3.885  -7.536
  157   1HD   LYS  17          2HD       LYS  17 -10.592  -3.379  -8.175
  158   2HD   LYS  17          1HD       LYS  17 -10.529  -5.129  -8.387
  159   1HE   LYS  17          2HE       LYS  17 -12.900  -3.812  -9.587
  160   2HE   LYS  17          1HE       LYS  17 -11.345  -3.431 -10.353
  161   1HZ   LYS  17          1HZ       LYS  17 -12.395  -6.144  -9.746
  162   2HZ   LYS  17          2HZ       LYS  17 -10.838  -5.823 -10.346
  163   3HZ   LYS  17          3HZ       LYS  17 -12.206  -5.464 -11.288
  164    H    CYS  18           H        CYS  18 -13.957  -6.206  -3.814
  165    HA   CYS  18           HA       CYS  18 -11.926  -8.232  -3.625
  166   1HB   CYS  18          2HB       CYS  18 -11.367  -8.055  -1.279
  167   2HB   CYS  18          1HB       CYS  18 -11.121  -6.463  -1.995
  168    H    ARG  19           H        ARG  19 -12.936 -10.189  -3.157
  169    HA   ARG  19           HA       ARG  19 -15.373 -10.328  -1.540
  170   1HB   ARG  19          2HB       ARG  19 -15.753  -9.476  -4.064
  171   2HB   ARG  19          1HB       ARG  19 -15.755 -11.215  -4.362
  172   1HG   ARG  19          2HG       ARG  19 -17.723 -11.539  -3.253
  173   2HG   ARG  19          1HG       ARG  19 -17.349 -10.325  -2.030
  174   1HD   ARG  19          2HD       ARG  19 -17.653  -8.647  -4.073
  175   2HD   ARG  19          1HD       ARG  19 -18.651  -9.971  -4.707
  176    HE   ARG  19           HE       ARG  19 -19.104  -8.635  -2.068
  177   1HH1  ARG  19          1HH1      ARG  19 -20.063 -11.525  -2.575
  178   2HH1  ARG  19          2HH1      ARG  19 -21.715 -11.236  -3.009
  179   1HH2  ARG  19          1HH2      ARG  19 -21.252  -7.843  -3.558
  180   2HH2  ARG  19          2HH2      ARG  19 -22.388  -9.151  -3.565
  Start of MODEL   11
    1   1H    ARG   1          1H        ARG   1  -1.434 -12.080   4.821
    2   2H    ARG   1          2H        ARG   1  -0.746 -13.520   4.241
    3   3H    ARG   1          3H        ARG   1  -2.266 -13.013   3.676
    4    HA   ARG   1           HA       ARG   1  -0.056 -11.142   3.292
    5   1HB   ARG   1          2HB       ARG   1   0.820 -13.485   2.908
    6   2HB   ARG   1          1HB       ARG   1  -0.405 -13.670   1.652
    7   1HG   ARG   1          2HG       ARG   1   1.102 -12.767   0.232
    8   2HG   ARG   1          1HG       ARG   1   0.790 -11.232   1.044
    9   1HD   ARG   1          2HD       ARG   1   3.238 -11.844   0.967
   10   2HD   ARG   1          1HD       ARG   1   2.622 -11.653   2.621
   11    HE   ARG   1           HE       ARG   1   2.611 -14.060   2.860
   12   1HH1  ARG   1          1HH2      ARG   1   5.026 -13.096   0.921
   13   2HH1  ARG   1          2HH2      ARG   1   5.122 -14.522  -0.057
   14   1HH2  ARG   1          1HH1      ARG   1   2.136 -15.844   1.108
   15   2HH2  ARG   1          2HH1      ARG   1   3.486 -16.078   0.049
   16    H    ARG   2           H        ARG   2  -0.941  -9.547   2.028
   17    HA   ARG   2           HA       ARG   2  -2.398  -8.465   0.510
   18   1HB   ARG   2          2HB       ARG   2  -1.579 -10.829  -0.597
   19   2HB   ARG   2          1HB       ARG   2  -3.331 -11.040  -0.617
   20   1HG   ARG   2          2HG       ARG   2  -3.654  -9.061  -1.910
   21   2HG   ARG   2          1HG       ARG   2  -1.994  -8.528  -1.640
   22   1HD   ARG   2          2HD       ARG   2  -1.370  -9.607  -3.529
   23   2HD   ARG   2          1HD       ARG   2  -1.884 -11.142  -2.800
   24    HE   ARG   2           HE       ARG   2  -4.204  -9.707  -3.650
   25   1HH1  ARG   2          1HH2      ARG   2  -2.624 -12.487  -4.286
   26   2HH1  ARG   2          2HH2      ARG   2  -2.884 -12.505  -5.998
   27   1HH2  ARG   2          1HH1      ARG   2  -4.048  -9.241  -6.123
   28   2HH2  ARG   2          2HH1      ARG   2  -3.690 -10.668  -7.039
   29    H    TRP   3           H        TRP   3  -3.982  -7.770   2.031
   30    HA   TRP   3           HA       TRP   3  -6.330  -9.610   2.374
   31   1HB   TRP   3          2HB       TRP   3  -5.497  -7.341   4.199
   32   2HB   TRP   3          1HB       TRP   3  -6.582  -8.682   4.565
   33    HD1  TRP   3           HD1      TRP   3  -5.510 -11.040   5.098
   34    HE1  TRP   3           HE1      TRP   3  -3.119 -11.753   5.744
   35    HE3  TRP   3           HE3      TRP   3  -2.955  -6.806   3.824
   36    HZ2  TRP   3           HZ2      TRP   3  -0.470 -10.670   5.723
   37    HZ3  TRP   3           HZ3      TRP   3  -0.501  -6.674   4.147
   38    HH2  TRP   3           HH2      TRP   3   0.743  -8.598   5.094
   39    H    CYS   4           H        CYS   4  -7.029  -8.599   0.262
   40    HA   CYS   4           HA       CYS   4  -8.398  -7.068  -0.922
   41   1HB   CYS   4          2HB       CYS   4  -9.132  -6.187   1.885
   42   2HB   CYS   4          1HB       CYS   4 -10.145  -6.118   0.443
   43    H    PHE   5           H        PHE   5  -7.293  -5.450  -1.956
   44    HA   PHE   5           HA       PHE   5  -5.613  -3.530  -0.546
   45   1HB   PHE   5          2HB       PHE   5  -6.640  -3.678  -3.402
   46   2HB   PHE   5          1HB       PHE   5  -5.335  -2.631  -2.847
   47    HD1  PHE   5           HD1      PHE   5  -3.766  -4.245  -1.056
   48    HD2  PHE   5           HD2      PHE   5  -5.732  -5.401  -4.697
   49    HE1  PHE   5           HE1      PHE   5  -2.148  -6.102  -1.339
   50    HE2  PHE   5           HE2      PHE   5  -4.112  -7.259  -4.980
   51    HZ   PHE   5           HZ       PHE   5  -2.321  -7.609  -3.303
   52    H    ARG   6           H        ARG   6  -5.992  -1.092  -1.077
   53    HA   ARG   6           HA       ARG   6  -8.803  -0.267  -1.359
   54   1HB   ARG   6          2HB       ARG   6  -8.093  -1.086   1.093
   55   2HB   ARG   6          1HB       ARG   6  -7.481   0.566   1.189
   56   1HG   ARG   6          2HG       ARG   6  -9.614   1.080   1.792
   57   2HG   ARG   6          1HG       ARG   6  -9.937   0.980   0.061
   58   1HD   ARG   6          2HD       ARG   6 -11.461  -0.625   0.606
   59   2HD   ARG   6          1HD       ARG   6 -10.062  -1.678   0.901
   60    HE   ARG   6           HE       ARG   6 -10.410  -0.045   3.200
   61   1HH1  ARG   6          1HH2      ARG   6 -12.745  -1.807   1.510
   62   2HH1  ARG   6          2HH2      ARG   6 -13.220  -2.788   2.855
   63   1HH2  ARG   6          1HH1      ARG   6 -10.695  -1.629   4.930
   64   2HH2  ARG   6          2HH1      ARG   6 -12.058  -2.687   4.792
   65    H    VAL   7           H        VAL   7  -8.747   1.667  -2.429
   66    HA   VAL   7           HA       VAL   7  -6.407   3.486  -1.969
   67    HB   VAL   7           HB       VAL   7  -7.752   2.782  -4.600
   68   1HG1  VAL   7          1HG1      VAL   7  -5.454   4.590  -3.834
   69   2HG1  VAL   7          2HG1      VAL   7  -6.892   4.991  -4.774
   70   3HG1  VAL   7          3HG1      VAL   7  -5.639   3.963  -5.472
   71   1HG2  VAL   7          1HG2      VAL   7  -6.457   0.923  -4.440
   72   2HG2  VAL   7          2HG2      VAL   7  -5.538   1.578  -3.085
   73   3HG2  VAL   7          3HG2      VAL   7  -5.102   2.011  -4.739
   74    H    CYS   8           H        CYS   8  -7.053   5.556  -1.521
   75    HA   CYS   8           HA       CYS   8  -9.803   6.399  -2.372
   76   1HB   CYS   8          2HB       CYS   8  -8.433   6.399   0.296
   77   2HB   CYS   8          1HB       CYS   8  -9.599   7.674  -0.055
   78    H    TYR   9           H        TYR   9  -9.571   8.141  -3.703
   79    HA   TYR   9           HA       TYR   9  -7.113   9.745  -3.712
   80   1HB   TYR   9          2HB       TYR   9  -8.621   8.928  -5.668
   81   2HB   TYR   9          1HB       TYR   9  -9.661  10.285  -5.235
   82    HD1  TYR   9           HD1      TYR   9  -9.242  12.363  -6.230
   83    HD2  TYR   9           HD2      TYR   9  -6.021   9.544  -5.843
   84    HE1  TYR   9           HE1      TYR   9  -7.741  13.907  -7.453
   85    HE2  TYR   9           HE2      TYR   9  -4.523  11.090  -7.066
   86    HH   TYR   9           HH       TYR   9  -5.746  14.068  -8.521
   87    H    ARG  10           H        ARG  10  -7.166  10.865  -1.685
   88    HA   ARG  10           HA       ARG  10  -7.923  12.473  -0.105
   89   1HB   ARG  10          2HB       ARG  10  -6.922  13.646  -2.096
   90   2HB   ARG  10          1HB       ARG  10  -8.554  13.841  -2.736
   91   1HG   ARG  10          2HG       ARG  10  -7.979  15.875  -1.562
   92   2HG   ARG  10          1HG       ARG  10  -9.172  15.012  -0.590
   93   1HD   ARG  10          2HD       ARG  10  -7.422  14.132   0.869
   94   2HD   ARG  10          1HD       ARG  10  -6.168  14.866  -0.149
   95    HE   ARG  10           HE       ARG  10  -6.873  17.046   0.605
   96   1HH1  ARG  10          1HH1      ARG  10  -9.836  16.244   0.779
   97   2HH1  ARG  10          2HH1      ARG  10 -10.109  16.393   2.483
   98   1HH2  ARG  10          1HH2      ARG  10  -6.737  16.466   3.285
   99   2HH2  ARG  10          2HH2      ARG  10  -8.354  16.519   3.901
  100    H    GLY  11           H        GLY  11  -9.908  10.734  -0.006
  101   1HA   GLY  11          2HA       GLY  11 -12.245  10.401   0.111
  102   2HA   GLY  11          1HA       GLY  11 -12.197  12.023   0.798
  103    H    ARG  12           H        ARG  12 -11.411  11.156  -2.557
  104    HA   ARG  12           HA       ARG  12 -13.851  12.682  -3.423
  105   1HB   ARG  12          2HB       ARG  12 -10.993  12.731  -4.429
  106   2HB   ARG  12          1HB       ARG  12 -12.335  13.452  -5.316
  107   1HG   ARG  12          2HG       ARG  12 -12.559  15.181  -3.844
  108   2HG   ARG  12          1HG       ARG  12 -12.141  14.184  -2.451
  109   1HD   ARG  12          2HD       ARG  12 -10.038  15.016  -2.506
  110   2HD   ARG  12          1HD       ARG  12  -9.831  14.360  -4.143
  111    HE   ARG  12           HE       ARG  12 -11.307  16.927  -3.798
  112   1HH1  ARG  12          1HH2      ARG  12  -8.144  15.878  -4.060
  113   2HH1  ARG  12          2HH2      ARG  12  -7.773  16.770  -5.498
  114   1HH2  ARG  12          1HH1      ARG  12 -11.052  17.752  -6.051
  115   2HH2  ARG  12          2HH1      ARG  12  -9.421  17.831  -6.625
  116    H    PHE  13           H        PHE  13 -12.397   9.732  -3.377
  117    HA   PHE  13           HA       PHE  13 -14.114   8.433  -5.190
  118   1HB   PHE  13          2HB       PHE  13 -11.974   9.963  -6.400
  119   2HB   PHE  13          1HB       PHE  13 -11.812   8.254  -6.804
  120    HD1  PHE  13           HD1      PHE  13 -12.848  10.951  -8.361
  121    HD2  PHE  13           HD2      PHE  13 -14.637   7.372  -6.799
  122    HE1  PHE  13           HE1      PHE  13 -14.697  11.158 -10.001
  123    HE2  PHE  13           HE2      PHE  13 -16.485   7.579  -8.439
  124    HZ   PHE  13           HZ       PHE  13 -16.515   9.473 -10.040
  125    H    CYS  14           H        CYS  14 -13.959   6.722  -3.716
  126    HA   CYS  14           HA       CYS  14 -11.272   5.557  -3.165
  127   1HB   CYS  14          2HB       CYS  14 -14.033   5.348  -1.960
  128   2HB   CYS  14          1HB       CYS  14 -12.757   4.214  -1.517
  129    H    TYR  15           H        TYR  15 -10.924   3.270  -3.514
  130    HA   TYR  15           HA       TYR  15 -12.875   1.976  -5.390
  131   1HB   TYR  15          2HB       TYR  15  -9.845   1.868  -5.497
  132   2HB   TYR  15          1HB       TYR  15 -10.966   1.230  -6.699
  133    HD1  TYR  15           HD1      TYR  15  -9.445   4.267  -5.290
  134    HD2  TYR  15           HD2      TYR  15 -12.219   2.724  -8.184
  135    HE1  TYR  15           HE1      TYR  15  -9.485   6.471  -6.427
  136    HE2  TYR  15           HE2      TYR  15 -12.259   4.928  -9.320
  137    HH   TYR  15           HH       TYR  15 -10.057   7.186  -9.029
  138    H    ARG  16           H        ARG  16 -13.618   0.876  -3.369
  139    HA   ARG  16           HA       ARG  16 -11.990  -0.703  -1.671
  140   1HB   ARG  16          2HB       ARG  16 -14.204  -2.006  -1.439
  141   2HB   ARG  16          1HB       ARG  16 -14.263  -0.276  -1.100
  142   1HG   ARG  16          2HG       ARG  16 -15.661   0.108  -2.831
  143   2HG   ARG  16          1HG       ARG  16 -14.671  -0.849  -3.933
  144   1HD   ARG  16          2HD       ARG  16 -15.716  -2.865  -2.486
  145   2HD   ARG  16          1HD       ARG  16 -17.028  -1.683  -2.308
  146    HE   ARG  16           HE       ARG  16 -16.017  -1.898  -5.045
  147   1HH1  ARG  16          1HH2      ARG  16 -17.390  -4.282  -3.227
  148   2HH1  ARG  16          2HH2      ARG  16 -18.870  -4.396  -4.121
  149   1HH2  ARG  16          1HH1      ARG  16 -18.281  -1.524  -5.974
  150   2HH2  ARG  16          2HH1      ARG  16 -19.374  -2.836  -5.676
  151    H    LYS  17           H        LYS  17 -11.546  -3.000  -1.717
  152    HA   LYS  17           HA       LYS  17 -12.158  -4.610  -4.073
  153   1HB   LYS  17          2HB       LYS  17  -9.896  -2.859  -4.068
  154   2HB   LYS  17          1HB       LYS  17  -9.294  -4.514  -3.986
  155   1HG   LYS  17          2HG       LYS  17 -11.285  -4.758  -5.853
  156   2HG   LYS  17          1HG       LYS  17 -10.689  -3.131  -6.186
  157   1HD   LYS  17          2HD       LYS  17  -8.433  -4.832  -5.730
  158   2HD   LYS  17          1HD       LYS  17  -9.490  -5.619  -6.903
  159   1HE   LYS  17          2HE       LYS  17  -9.587  -3.331  -8.099
  160   2HE   LYS  17          1HE       LYS  17  -8.189  -2.895  -7.095
  161   1HZ   LYS  17          1HZ       LYS  17  -7.159  -5.025  -7.821
  162   2HZ   LYS  17          2HZ       LYS  17  -7.357  -3.895  -9.074
  163   3HZ   LYS  17          3HZ       LYS  17  -8.422  -5.211  -8.937
  164    H    CYS  18           H        CYS  18 -12.846  -6.124  -2.516
  165    HA   CYS  18           HA       CYS  18 -10.625  -7.469  -1.014
  166   1HB   CYS  18          2HB       CYS  18 -12.057  -5.977   0.409
  167   2HB   CYS  18          1HB       CYS  18 -13.454  -6.951  -0.045
  168    H    ARG  19           H        ARG  19 -10.519  -9.594  -1.618
  169    HA   ARG  19           HA       ARG  19 -13.038 -11.068  -2.210
  170   1HB   ARG  19          2HB       ARG  19 -10.764 -10.434  -4.074
  171   2HB   ARG  19          1HB       ARG  19 -11.657 -11.940  -4.283
  172   1HG   ARG  19          2HG       ARG  19 -13.059  -9.274  -4.038
  173   2HG   ARG  19          1HG       ARG  19 -12.519  -9.907  -5.594
  174   1HD   ARG  19          2HD       ARG  19 -13.819 -12.086  -4.460
  175   2HD   ARG  19          1HD       ARG  19 -14.830 -10.707  -3.984
  176    HE   ARG  19           HE       ARG  19 -13.981 -10.524  -6.756
  177   1HH1  ARG  19          1HH2      ARG  19 -16.689  -9.943  -5.282
  178   2HH1  ARG  19          2HH2      ARG  19 -17.725 -11.030  -6.146
  179   1HH2  ARG  19          1HH1      ARG  19 -15.111 -12.803  -7.577
  180   2HH2  ARG  19          2HH1      ARG  19 -16.831 -12.650  -7.445
  Start of MODEL   12
    1   1H    ARG   1          1H        ARG   1  -5.816   1.287   6.127
    2   2H    ARG   1          2H        ARG   1  -4.928   0.777   7.482
    3   3H    ARG   1          3H        ARG   1  -6.616   0.589   7.450
    4    HA   ARG   1           HA       ARG   1  -6.042  -0.806   5.285
    5   1HB   ARG   1          2HB       ARG   1  -3.583  -0.019   6.166
    6   2HB   ARG   1          1HB       ARG   1  -3.727  -1.586   6.964
    7   1HG   ARG   1          2HG       ARG   1  -3.225  -2.603   5.024
    8   2HG   ARG   1          1HG       ARG   1  -4.679  -1.910   4.304
    9   1HD   ARG   1          2HD       ARG   1  -3.495   0.029   3.540
   10   2HD   ARG   1          1HD       ARG   1  -2.072  -0.373   4.522
   11    HE   ARG   1           HE       ARG   1  -2.631  -2.598   2.841
   12   1HH1  ARG   1          1HH1      ARG   1  -2.448   0.657   1.980
   13   2HH1  ARG   1          2HH1      ARG   1  -1.147   0.462   0.853
   14   1HH2  ARG   1          1HH2      ARG   1  -0.578  -2.858   1.682
   15   2HH2  ARG   1          2HH2      ARG   1  -0.090  -1.529   0.684
   16    H    ARG   2           H        ARG   2  -8.049  -1.248   6.761
   17    HA   ARG   2           HA       ARG   2  -7.453  -3.680   8.401
   18   1HB   ARG   2          2HB       ARG   2  -9.183  -1.284   9.081
   19   2HB   ARG   2          1HB       ARG   2  -9.195  -2.788  10.003
   20   1HG   ARG   2          2HG       ARG   2  -6.949  -2.513  10.699
   21   2HG   ARG   2          1HG       ARG   2  -6.628  -1.294   9.465
   22   1HD   ARG   2          2HD       ARG   2  -6.914   0.048  11.369
   23   2HD   ARG   2          1HD       ARG   2  -8.569   0.019  10.727
   24    HE   ARG   2           HE       ARG   2  -9.125  -1.708  12.365
   25   1HH1  ARG   2          1HH1      ARG   2  -5.767  -1.179  12.355
   26   2HH1  ARG   2          2HH1      ARG   2  -5.575  -1.366  14.066
   27   1HH2  ARG   2          1HH2      ARG   2  -8.977  -1.598  14.689
   28   2HH2  ARG   2          2HH2      ARG   2  -7.392  -1.603  15.388
   29    H    TRP   3           H        TRP   3  -8.719  -5.367   7.731
   30    HA   TRP   3           HA       TRP   3 -10.449  -6.538   6.624
   31   1HB   TRP   3          2HB       TRP   3 -12.023  -4.071   7.419
   32   2HB   TRP   3          1HB       TRP   3 -12.649  -5.705   7.196
   33    HD1  TRP   3           HD1      TRP   3 -11.675  -3.472   9.853
   34    HE1  TRP   3           HE1      TRP   3 -11.076  -4.748  12.011
   35    HE3  TRP   3           HE3      TRP   3 -11.191  -8.198   7.979
   36    HZ2  TRP   3           HZ2      TRP   3 -10.472  -7.420  12.834
   37    HZ3  TRP   3           HZ3      TRP   3 -10.604 -10.088   9.470
   38    HH2  TRP   3           HH2      TRP   3 -10.244  -9.706  11.893
   39    H    CYS   4           H        CYS   4  -9.820  -6.464   4.434
   40    HA   CYS   4           HA       CYS   4 -10.049  -5.858   2.153
   41   1HB   CYS   4          2HB       CYS   4 -12.450  -5.447   3.376
   42   2HB   CYS   4          1HB       CYS   4 -12.105  -3.819   2.789
   43    H    PHE   5           H        PHE   5  -8.913  -4.393   0.916
   44    HA   PHE   5           HA       PHE   5  -8.090  -1.837   2.249
   45   1HB   PHE   5          2HB       PHE   5  -6.761  -3.426   0.029
   46   2HB   PHE   5          1HB       PHE   5  -6.061  -2.070   0.911
   47    HD1  PHE   5           HD1      PHE   5  -6.890  -2.630   3.680
   48    HD2  PHE   5           HD2      PHE   5  -5.460  -5.299   0.633
   49    HE1  PHE   5           HE1      PHE   5  -6.073  -4.187   5.428
   50    HE2  PHE   5           HE2      PHE   5  -4.642  -6.856   2.382
   51    HZ   PHE   5           HZ       PHE   5  -4.948  -6.300   4.780
   52    H    ARG   6           H        ARG   6  -8.469   0.091   1.158
   53    HA   ARG   6           HA       ARG   6  -9.478  -0.059  -1.657
   54   1HB   ARG   6          2HB       ARG   6 -11.264   1.541  -0.958
   55   2HB   ARG   6          1HB       ARG   6 -11.381   0.000  -0.106
   56   1HG   ARG   6          2HG       ARG   6  -9.919   1.131   1.711
   57   2HG   ARG   6          1HG       ARG   6 -10.368   2.646   0.929
   58   1HD   ARG   6          2HD       ARG   6 -12.815   1.457   1.113
   59   2HD   ARG   6          1HD       ARG   6 -12.027   0.818   2.569
   60    HE   ARG   6           HE       ARG   6 -12.344   3.722   1.944
   61   1HH1  ARG   6          1HH2      ARG   6 -13.247   1.625   4.249
   62   2HH1  ARG   6          2HH2      ARG   6 -12.434   2.379   5.580
   63   1HH2  ARG   6          1HH1      ARG   6 -10.554   4.493   3.577
   64   2HH2  ARG   6          2HH1      ARG   6 -10.909   4.002   5.199
   65    H    VAL   7           H        VAL   7  -8.535   1.489  -2.933
   66    HA   VAL   7           HA       VAL   7  -6.658   3.405  -1.707
   67    HB   VAL   7           HB       VAL   7  -7.417   3.033  -4.616
   68   1HG1  VAL   7          1HG1      VAL   7  -5.183   3.852  -5.039
   69   2HG1  VAL   7          2HG1      VAL   7  -4.785   3.798  -3.321
   70   3HG1  VAL   7          3HG1      VAL   7  -5.958   4.972  -3.919
   71   1HG2  VAL   7          1HG2      VAL   7  -6.276   1.117  -2.793
   72   2HG2  VAL   7          2HG2      VAL   7  -5.055   1.588  -3.976
   73   3HG2  VAL   7          3HG2      VAL   7  -6.601   0.935  -4.517
   74    H    CYS   8           H        CYS   8  -7.498   5.324  -0.986
   75    HA   CYS   8           HA       CYS   8  -9.912   6.458  -2.292
   76   1HB   CYS   8          2HB       CYS   8  -8.369   6.884   0.259
   77   2HB   CYS   8          1HB       CYS   8  -9.538   8.091  -0.279
   78    H    TYR   9           H        TYR   9  -9.898   8.724  -3.019
   79    HA   TYR   9           HA       TYR   9  -7.179   9.564  -3.963
   80   1HB   TYR   9          2HB       TYR   9  -9.819   9.361  -5.110
   81   2HB   TYR   9          1HB       TYR   9  -9.263  11.032  -5.213
   82    HD1  TYR   9           HD1      TYR   9  -7.139   7.964  -5.205
   83    HD2  TYR   9           HD2      TYR   9  -8.718  11.212  -7.538
   84    HE1  TYR   9           HE1      TYR   9  -5.636   7.354  -7.077
   85    HE2  TYR   9           HE2      TYR   9  -7.213  10.598  -9.407
   86    HH   TYR   9           HH       TYR   9  -5.390   7.641  -9.405
   87    H    ARG  10           H        ARG  10  -6.489  10.790  -2.148
   88    HA   ARG  10           HA       ARG  10  -6.397  12.664  -0.708
   89   1HB   ARG  10          2HB       ARG  10  -6.540  13.526  -3.167
   90   2HB   ARG  10          1HB       ARG  10  -8.193  13.978  -2.745
   91   1HG   ARG  10          2HG       ARG  10  -6.771  15.892  -2.327
   92   2HG   ARG  10          1HG       ARG  10  -7.266  15.232  -0.767
   93   1HD   ARG  10          2HD       ARG  10  -4.789  15.783  -0.930
   94   2HD   ARG  10          1HD       ARG  10  -5.125  14.090  -0.513
   95    HE   ARG  10           HE       ARG  10  -4.426  13.443  -2.700
   96   1HH1  ARG  10          1HH2      ARG  10  -2.980  16.255  -2.077
   97   2HH1  ARG  10          2HH2      ARG  10  -2.974  16.887  -3.690
   98   1HH2  ARG  10          1HH1      ARG  10  -5.183  14.509  -4.913
   99   2HH2  ARG  10          2HH1      ARG  10  -4.222  15.899  -5.295
  100    H    GLY  11           H        GLY  11  -8.076  11.071   0.490
  101   1HA   GLY  11          2HA       GLY  11  -9.999  10.913   1.827
  102   2HA   GLY  11          1HA       GLY  11  -9.980  12.678   1.824
  103    H    ARG  12           H        ARG  12 -10.171  11.078  -1.239
  104    HA   ARG  12           HA       ARG  12 -13.121  11.155  -1.341
  105   1HB   ARG  12          2HB       ARG  12 -11.276  13.133  -2.687
  106   2HB   ARG  12          1HB       ARG  12 -12.890  12.810  -3.321
  107   1HG   ARG  12          2HG       ARG  12 -13.713  13.257  -0.909
  108   2HG   ARG  12          1HG       ARG  12 -12.127  13.983  -0.649
  109   1HD   ARG  12          2HD       ARG  12 -12.502  15.584  -2.450
  110   2HD   ARG  12          1HD       ARG  12 -14.039  14.800  -2.866
  111    HE   ARG  12           HE       ARG  12 -13.561  16.499  -0.511
  112   1HH1  ARG  12          1HH1      ARG  12 -14.842  14.118   0.627
  113   2HH1  ARG  12          2HH1      ARG  12 -16.530  14.424   0.393
  114   1HH2  ARG  12          1HH2      ARG  12 -16.024  16.900  -1.981
  115   2HH2  ARG  12          2HH2      ARG  12 -17.199  15.999  -1.085
  116    H    PHE  13           H        PHE  13 -13.912   9.984  -3.144
  117    HA   PHE  13           HA       PHE  13 -13.858   8.480  -4.955
  118   1HB   PHE  13          2HB       PHE  13 -11.665  10.382  -5.308
  119   2HB   PHE  13          1HB       PHE  13 -11.332   8.824  -6.064
  120    HD1  PHE  13           HD1      PHE  13 -13.994   7.892  -6.850
  121    HD2  PHE  13           HD2      PHE  13 -12.296  11.834  -7.049
  122    HE1  PHE  13           HE1      PHE  13 -15.533   8.462  -8.710
  123    HE2  PHE  13           HE2      PHE  13 -13.836  12.402  -8.909
  124    HZ   PHE  13           HZ       PHE  13 -15.455  10.717  -9.739
  125    H    CYS  14           H        CYS  14 -13.802   6.596  -3.686
  126    HA   CYS  14           HA       CYS  14 -11.083   5.454  -3.155
  127   1HB   CYS  14          2HB       CYS  14 -13.732   5.028  -1.741
  128   2HB   CYS  14          1HB       CYS  14 -12.205   4.270  -1.288
  129    H    TYR  15           H        TYR  15 -10.752   3.267  -3.677
  130    HA   TYR  15           HA       TYR  15 -12.922   1.969  -5.299
  131   1HB   TYR  15          2HB       TYR  15  -9.948   1.759  -5.813
  132   2HB   TYR  15          1HB       TYR  15 -11.268   1.364  -6.912
  133    HD1  TYR  15           HD1      TYR  15  -8.792   3.689  -6.387
  134    HD2  TYR  15           HD2      TYR  15 -13.027   3.508  -7.079
  135    HE1  TYR  15           HE1      TYR  15  -8.746   6.005  -7.273
  136    HE2  TYR  15           HE2      TYR  15 -12.981   5.823  -7.966
  137    HH   TYR  15           HH       TYR  15 -11.740   7.670  -8.215
  138    H    ARG  16           H        ARG  16 -13.409   0.797  -3.248
  139    HA   ARG  16           HA       ARG  16 -11.542  -0.782  -1.804
  140   1HB   ARG  16          2HB       ARG  16 -14.483  -1.248  -2.404
  141   2HB   ARG  16          1HB       ARG  16 -13.586  -1.973  -1.069
  142   1HG   ARG  16          2HG       ARG  16 -13.828  -0.122   0.191
  143   2HG   ARG  16          1HG       ARG  16 -13.217   0.903  -1.108
  144   1HD   ARG  16          2HD       ARG  16 -15.917  -0.096  -1.663
  145   2HD   ARG  16          1HD       ARG  16 -15.837   0.894  -0.192
  146    HE   ARG  16           HE       ARG  16 -14.311   2.356  -1.920
  147   1HH1  ARG  16          1HH2      ARG  16 -17.547   1.250  -1.746
  148   2HH1  ARG  16          2HH2      ARG  16 -18.102   2.220  -3.069
  149   1HH2  ARG  16          1HH1      ARG  16 -14.951   3.449  -3.835
  150   2HH2  ARG  16          2HH1      ARG  16 -16.632   3.465  -4.252
  151    H    LYS  17           H        LYS  17 -11.324  -3.182  -1.896
  152    HA   LYS  17           HA       LYS  17 -12.157  -4.676  -4.238
  153   1HB   LYS  17          2HB       LYS  17  -9.788  -4.843  -5.153
  154   2HB   LYS  17          1HB       LYS  17 -10.548  -3.263  -5.346
  155   1HG   LYS  17          2HG       LYS  17  -8.853  -2.327  -4.205
  156   2HG   LYS  17          1HG       LYS  17  -9.297  -3.285  -2.791
  157   1HD   LYS  17          2HD       LYS  17  -7.019  -3.837  -3.270
  158   2HD   LYS  17          1HD       LYS  17  -7.982  -5.203  -3.838
  159   1HE   LYS  17          2HE       LYS  17  -7.998  -3.970  -6.131
  160   2HE   LYS  17          1HE       LYS  17  -6.627  -3.055  -5.470
  161   1HZ   LYS  17          1HZ       LYS  17  -6.801  -6.015  -5.378
  162   2HZ   LYS  17          2HZ       LYS  17  -5.451  -5.045  -5.028
  163   3HZ   LYS  17          3HZ       LYS  17  -6.013  -5.178  -6.626
  164    H    CYS  18           H        CYS  18 -12.527  -6.526  -3.060
  165    HA   CYS  18           HA       CYS  18 -10.339  -7.503  -1.255
  166   1HB   CYS  18          2HB       CYS  18 -13.237  -7.232  -1.064
  167   2HB   CYS  18          1HB       CYS  18 -12.716  -8.880  -0.711
  168    H    ARG  19           H        ARG  19  -9.232  -9.205  -2.135
  169    HA   ARG  19           HA       ARG  19 -10.578 -11.521  -3.238
  170   1HB   ARG  19          2HB       ARG  19 -10.479  -9.426  -4.956
  171   2HB   ARG  19          1HB       ARG  19  -8.927 -10.183  -5.318
  172   1HG   ARG  19          2HG       ARG  19 -10.245 -12.395  -5.462
  173   2HG   ARG  19          1HG       ARG  19 -11.688 -11.383  -5.537
  174   1HD   ARG  19          2HD       ARG  19 -11.317 -11.167  -7.764
  175   2HD   ARG  19          1HD       ARG  19  -9.853 -10.244  -7.371
  176    HE   ARG  19           HE       ARG  19  -8.611 -12.157  -7.960
  177   1HH1  ARG  19          1HH2      ARG  19 -11.925 -12.927  -7.546
  178   2HH1  ARG  19          2HH2      ARG  19 -11.681 -14.641  -7.599
  179   1HH2  ARG  19          1HH1      ARG  19  -8.227 -14.411  -7.793
  180   2HH2  ARG  19          2HH1      ARG  19  -9.588 -15.480  -7.739
  Start of MODEL   13
    1   1H    ARG   1          1H        ARG   1  -0.557 -10.115   7.551
    2   2H    ARG   1          2H        ARG   1  -0.086 -10.158   5.919
    3   3H    ARG   1          3H        ARG   1   0.013 -11.560   6.873
    4    HA   ARG   1           HA       ARG   1  -1.951 -12.053   5.873
    5   1HB   ARG   1          2HB       ARG   1  -2.510 -10.113   8.131
    6   2HB   ARG   1          1HB       ARG   1  -3.782 -11.072   7.374
    7   1HG   ARG   1          2HG       ARG   1  -3.238 -12.729   8.804
    8   2HG   ARG   1          1HG       ARG   1  -1.742 -12.913   7.886
    9   1HD   ARG   1          2HD       ARG   1  -0.684 -11.166   9.350
   10   2HD   ARG   1          1HD       ARG   1  -2.161 -11.165  10.336
   11    HE   ARG   1           HE       ARG   1  -0.667 -13.709   9.845
   12   1HH1  ARG   1          1HH2      ARG   1  -3.232 -12.776  11.575
   13   2HH1  ARG   1          2HH2      ARG   1  -2.583 -13.088  13.151
   14   1HH2  ARG   1          1HH1      ARG   1   0.668 -13.505  12.018
   15   2HH2  ARG   1          2HH1      ARG   1  -0.374 -13.501  13.402
   16    H    ARG   2           H        ARG   2  -2.784 -11.433   3.920
   17    HA   ARG   2           HA       ARG   2  -3.236  -8.511   3.428
   18   1HB   ARG   2          2HB       ARG   2  -2.132 -10.784   1.928
   19   2HB   ARG   2          1HB       ARG   2  -3.294  -9.838   0.997
   20   1HG   ARG   2          2HG       ARG   2  -1.975  -7.777   1.911
   21   2HG   ARG   2          1HG       ARG   2  -0.697  -8.950   2.231
   22   1HD   ARG   2          2HD       ARG   2  -2.024  -8.523  -0.473
   23   2HD   ARG   2          1HD       ARG   2  -0.412  -7.939  -0.016
   24    HE   ARG   2           HE       ARG   2  -1.115 -10.850   0.057
   25   1HH1  ARG   2          1HH2      ARG   2   1.332  -8.577   0.408
   26   2HH1  ARG   2          2HH2      ARG   2   2.476  -9.393  -0.603
   27   1HH2  ARG   2          1HH1      ARG   2   0.202 -11.761  -1.719
   28   2HH2  ARG   2          2HH1      ARG   2   1.837 -11.197  -1.806
   29    H    TRP   3           H        TRP   3  -5.325  -7.851   3.026
   30    HA   TRP   3           HA       TRP   3  -7.348  -9.837   2.132
   31   1HB   TRP   3          2HB       TRP   3  -6.933  -9.158   4.817
   32   2HB   TRP   3          1HB       TRP   3  -8.325  -8.190   4.332
   33    HD1  TRP   3           HD1      TRP   3  -7.927 -11.173   6.029
   34    HE1  TRP   3           HE1      TRP   3  -9.699 -12.959   5.464
   35    HE3  TRP   3           HE3      TRP   3  -9.712  -9.285   1.632
   36    HZ2  TRP   3           HZ2      TRP   3 -11.619 -13.513   3.417
   37    HZ3  TRP   3           HZ3      TRP   3 -11.511 -10.460   0.397
   38    HH2  TRP   3           HH2      TRP   3 -12.466 -12.570   1.284
   39    H    CYS   4           H        CYS   4  -7.199  -8.408   0.200
   40    HA   CYS   4           HA       CYS   4  -8.043  -6.649  -1.143
   41   1HB   CYS   4          2HB       CYS   4  -9.866  -6.884   1.224
   42   2HB   CYS   4          1HB       CYS   4 -10.092  -5.521   0.128
   43    H    PHE   5           H        PHE   5  -7.543  -4.484  -1.456
   44    HA   PHE   5           HA       PHE   5  -6.544  -2.968   0.937
   45   1HB   PHE   5          2HB       PHE   5  -5.431  -3.453  -1.814
   46   2HB   PHE   5          1HB       PHE   5  -5.011  -1.966  -0.965
   47    HD1  PHE   5           HD1      PHE   5  -4.577  -5.588  -1.103
   48    HD2  PHE   5           HD2      PHE   5  -3.846  -2.059   1.233
   49    HE1  PHE   5           HE1      PHE   5  -2.903  -6.827   0.245
   50    HE2  PHE   5           HE2      PHE   5  -2.174  -3.297   2.582
   51    HZ   PHE   5           HZ       PHE   5  -1.703  -5.683   2.088
   52    H    ARG   6           H        ARG   6  -7.707  -1.116   1.244
   53    HA   ARG   6           HA       ARG   6  -9.455  -0.093  -0.909
   54   1HB   ARG   6          2HB       ARG   6  -9.772  -0.405   1.743
   55   2HB   ARG   6          1HB       ARG   6  -9.143   1.243   1.742
   56   1HG   ARG   6          2HG       ARG   6 -11.027   2.095   0.796
   57   2HG   ARG   6          1HG       ARG   6 -11.209   0.724  -0.299
   58   1HD   ARG   6          2HD       ARG   6 -12.822  -0.120   1.045
   59   2HD   ARG   6          1HD       ARG   6 -11.656  -0.207   2.381
   60    HE   ARG   6           HE       ARG   6 -13.243   2.252   1.735
   61   1HH1  ARG   6          1HH2      ARG   6 -13.329  -0.021   4.036
   62   2HH1  ARG   6          2HH2      ARG   6 -12.885   0.982   5.376
   63   1HH2  ARG   6          1HH1      ARG   6 -11.888   3.645   3.393
   64   2HH2  ARG   6          2HH1      ARG   6 -12.068   3.058   5.012
   65    H    VAL   7           H        VAL   7  -9.042   1.778  -2.051
   66    HA   VAL   7           HA       VAL   7  -6.773   3.515  -1.149
   67    HB   VAL   7           HB       VAL   7  -7.274   2.507  -3.967
   68   1HG1  VAL   7          1HG1      VAL   7  -4.877   3.912  -2.752
   69   2HG1  VAL   7          2HG1      VAL   7  -6.114   4.716  -3.718
   70   3HG1  VAL   7          3HG1      VAL   7  -5.095   3.475  -4.447
   71   1HG2  VAL   7          1HG2      VAL   7  -5.194   1.644  -1.930
   72   2HG2  VAL   7          2HG2      VAL   7  -5.316   1.061  -3.590
   73   3HG2  VAL   7          3HG2      VAL   7  -6.588   0.685  -2.428
   74    H    CYS   8           H        CYS   8  -7.224   5.681  -1.367
   75    HA   CYS   8           HA       CYS   8  -9.654   6.440  -2.960
   76   1HB   CYS   8          2HB       CYS   8  -8.633   7.721  -0.410
   77   2HB   CYS   8          1HB       CYS   8 -10.197   7.976  -1.182
   78    H    TYR   9           H        TYR   9  -9.294   8.045  -4.453
   79    HA   TYR   9           HA       TYR   9  -6.593   9.159  -4.742
   80   1HB   TYR   9          2HB       TYR   9  -8.501   8.382  -6.467
   81   2HB   TYR   9          1HB       TYR   9  -8.943  10.085  -6.340
   82    HD1  TYR   9           HD1      TYR   9  -6.868   7.777  -8.036
   83    HD2  TYR   9           HD2      TYR   9  -6.882  11.782  -6.475
   84    HE1  TYR   9           HE1      TYR   9  -5.007   8.379  -9.558
   85    HE2  TYR   9           HE2      TYR   9  -5.023  12.380  -7.997
   86    HH   TYR   9           HH       TYR   9  -3.367   9.953  -9.920
   87    H    ARG  10           H        ARG  10  -6.511  10.447  -2.769
   88    HA   ARG  10           HA       ARG  10  -6.670  12.511  -1.631
   89   1HB   ARG  10          2HB       ARG  10  -6.374  13.086  -4.188
   90   2HB   ARG  10          1HB       ARG  10  -8.058  13.599  -4.066
   91   1HG   ARG  10          2HG       ARG  10  -6.573  15.503  -3.638
   92   2HG   ARG  10          1HG       ARG  10  -7.447  15.079  -2.165
   93   1HD   ARG  10          2HD       ARG  10  -5.540  14.435  -1.078
   94   2HD   ARG  10          1HD       ARG  10  -4.860  13.674  -2.529
   95    HE   ARG  10           HE       ARG  10  -4.513  16.113  -3.337
   96   1HH1  ARG  10          1HH2      ARG  10  -5.597  17.366  -0.835
   97   2HH1  ARG  10          2HH2      ARG  10  -4.152  17.684   0.065
   98   1HH2  ARG  10          1HH1      ARG  10  -2.184  15.555  -1.838
   99   2HH2  ARG  10          2HH1      ARG  10  -2.219  16.658  -0.504
  100    H    GLY  11           H        GLY  11  -8.580  10.831  -0.831
  101   1HA   GLY  11          2HA       GLY  11 -10.832  10.585  -0.141
  102   2HA   GLY  11          1HA       GLY  11 -10.579  12.252   0.375
  103    H    ARG  12           H        ARG  12 -10.883  10.829  -2.900
  104    HA   ARG  12           HA       ARG  12 -13.150  12.736  -3.360
  105   1HB   ARG  12          2HB       ARG  12 -10.766  11.882  -4.959
  106   2HB   ARG  12          1HB       ARG  12 -12.228  12.356  -5.822
  107   1HG   ARG  12          2HG       ARG  12 -11.144  14.097  -3.624
  108   2HG   ARG  12          1HG       ARG  12 -10.462  14.191  -5.248
  109   1HD   ARG  12          2HD       ARG  12 -13.019  14.338  -5.963
  110   2HD   ARG  12          1HD       ARG  12 -13.206  14.944  -4.305
  111    HE   ARG  12           HE       ARG  12 -11.179  16.481  -4.991
  112   1HH1  ARG  12          1HH2      ARG  12 -14.187  17.010  -5.824
  113   2HH1  ARG  12          2HH2      ARG  12 -13.923  17.645  -7.413
  114   1HH2  ARG  12          1HH1      ARG  12 -10.622  16.595  -7.571
  115   2HH2  ARG  12          2HH1      ARG  12 -11.904  17.410  -8.403
  116    H    PHE  13           H        PHE  13 -12.080   9.487  -3.431
  117    HA   PHE  13           HA       PHE  13 -14.593   8.270  -3.693
  118   1HB   PHE  13          2HB       PHE  13 -13.666   9.497  -6.112
  119   2HB   PHE  13          1HB       PHE  13 -13.691   7.750  -6.348
  120    HD1  PHE  13           HD1      PHE  13 -15.611  10.479  -6.947
  121    HD2  PHE  13           HD2      PHE  13 -15.878   6.735  -4.860
  122    HE1  PHE  13           HE1      PHE  13 -18.081  10.535  -7.162
  123    HE2  PHE  13           HE2      PHE  13 -18.348   6.791  -5.074
  124    HZ   PHE  13           HZ       PHE  13 -19.451   8.691  -6.224
  125    H    CYS  14           H        CYS  14 -13.706   6.623  -2.447
  126    HA   CYS  14           HA       CYS  14 -11.161   5.357  -3.009
  127   1HB   CYS  14          2HB       CYS  14 -13.548   4.435  -1.377
  128   2HB   CYS  14          1HB       CYS  14 -11.899   3.823  -1.232
  129    H    TYR  15           H        TYR  15 -10.803   3.299  -3.957
  130    HA   TYR  15           HA       TYR  15 -13.135   1.990  -5.290
  131   1HB   TYR  15          2HB       TYR  15 -11.471   1.773  -7.288
  132   2HB   TYR  15          1HB       TYR  15 -12.256   3.330  -7.029
  133    HD1  TYR  15           HD1      TYR  15  -9.101   1.487  -6.945
  134    HD2  TYR  15           HD2      TYR  15 -11.024   5.195  -5.942
  135    HE1  TYR  15           HE1      TYR  15  -6.884   2.568  -6.686
  136    HE2  TYR  15           HE2      TYR  15  -8.807   6.275  -5.683
  137    HH   TYR  15           HH       TYR  15  -6.553   5.791  -5.371
  138    H    ARG  16           H        ARG  16 -12.769   0.420  -3.506
  139    HA   ARG  16           HA       ARG  16 -10.507  -0.951  -2.760
  140   1HB   ARG  16          2HB       ARG  16 -13.345  -1.785  -3.315
  141   2HB   ARG  16          1HB       ARG  16 -12.174  -2.986  -2.764
  142   1HG   ARG  16          2HG       ARG  16 -11.839  -1.905  -0.710
  143   2HG   ARG  16          1HG       ARG  16 -12.446  -0.364  -1.313
  144   1HD   ARG  16          2HD       ARG  16 -14.386  -2.613  -1.387
  145   2HD   ARG  16          1HD       ARG  16 -13.949  -2.013   0.225
  146    HE   ARG  16           HE       ARG  16 -14.695   0.214  -0.455
  147   1HH1  ARG  16          1HH1      ARG  16 -16.418  -2.296  -1.697
  148   2HH1  ARG  16          2HH1      ARG  16 -17.068  -1.450  -3.063
  149   1HH2  ARG  16          1HH2      ARG  16 -15.012   1.314  -2.663
  150   2HH2  ARG  16          2HH2      ARG  16 -16.271   0.595  -3.609
  151    H    LYS  17           H        LYS  17  -9.574  -3.040  -3.520
  152    HA   LYS  17           HA       LYS  17 -10.083  -3.874  -6.293
  153   1HB   LYS  17          2HB       LYS  17  -8.208  -1.816  -5.654
  154   2HB   LYS  17          1HB       LYS  17  -7.290  -3.238  -6.152
  155   1HG   LYS  17          2HG       LYS  17  -8.134  -3.209  -8.291
  156   2HG   LYS  17          1HG       LYS  17  -9.683  -2.534  -7.783
  157   1HD   LYS  17          2HD       LYS  17  -8.948  -0.373  -7.940
  158   2HD   LYS  17          1HD       LYS  17  -7.317  -0.781  -7.405
  159   1HE   LYS  17          2HE       LYS  17  -8.476  -1.323 -10.165
  160   2HE   LYS  17          1HE       LYS  17  -7.225  -0.129  -9.762
  161   1HZ   LYS  17          1HZ       LYS  17  -5.864  -1.864 -10.221
  162   2HZ   LYS  17          2HZ       LYS  17  -7.044  -3.038  -9.878
  163   3HZ   LYS  17          3HZ       LYS  17  -6.202  -2.280  -8.612
  164    H    CYS  18           H        CYS  18 -10.131  -6.051  -5.835
  165    HA   CYS  18           HA       CYS  18  -7.726  -7.490  -5.223
  166   1HB   CYS  18          2HB       CYS  18  -8.490  -8.220  -2.899
  167   2HB   CYS  18          1HB       CYS  18  -7.950  -6.546  -3.025
  168    H    ARG  19           H        ARG  19  -8.076  -9.509  -6.061
  169    HA   ARG  19           HA       ARG  19 -10.814 -10.697  -5.868
  170   1HB   ARG  19          2HB       ARG  19  -9.162 -10.007  -8.279
  171   2HB   ARG  19          1HB       ARG  19 -10.220 -11.415  -8.350
  172   1HG   ARG  19          2HG       ARG  19 -11.597  -9.162  -7.153
  173   2HG   ARG  19          1HG       ARG  19 -10.966  -8.736  -8.744
  174   1HD   ARG  19          2HD       ARG  19 -12.027 -11.337  -9.035
  175   2HD   ARG  19          1HD       ARG  19 -13.229 -10.421  -8.104
  176    HE   ARG  19           HE       ARG  19 -12.506  -8.619 -10.036
  177   1HH1  ARG  19          1HH1      ARG  19 -15.124 -10.212 -10.021
  178   2HH1  ARG  19          2HH1      ARG  19 -15.105 -10.885 -11.618
  179   1HH2  ARG  19          1HH2      ARG  19 -11.740 -10.229 -12.141
  180   2HH2  ARG  19          2HH2      ARG  19 -13.189 -10.895 -12.817
  Start of MODEL   14
    1   1H    ARG   1          1H        ARG   1   1.699 -10.227   3.835
    2   2H    ARG   1          2H        ARG   1   1.331  -9.516   2.336
    3   3H    ARG   1          3H        ARG   1   1.163 -11.193   2.548
    4    HA   ARG   1           HA       ARG   1  -0.756 -10.992   3.818
    5   1HB   ARG   1          2HB       ARG   1  -1.246  -8.911   5.013
    6   2HB   ARG   1          1HB       ARG   1   0.424  -9.385   5.331
    7   1HG   ARG   1          2HG       ARG   1   0.742  -7.872   3.083
    8   2HG   ARG   1          1HG       ARG   1  -0.621  -7.053   3.846
    9   1HD   ARG   1          2HD       ARG   1   1.097  -7.531   5.982
   10   2HD   ARG   1          1HD       ARG   1   2.191  -7.088   4.656
   11    HE   ARG   1           HE       ARG   1   0.804  -5.040   4.328
   12   1HH1  ARG   1          1HH2      ARG   1   2.000  -4.948   7.109
   13   2HH1  ARG   1          2HH2      ARG   1   0.625  -4.499   8.062
   14   1HH2  ARG   1          1HH1      ARG   1  -1.676  -5.292   5.593
   15   2HH2  ARG   1          2HH1      ARG   1  -1.456  -4.694   7.203
   16    H    ARG   2           H        ARG   2  -2.471 -11.039   2.422
   17    HA   ARG   2           HA       ARG   2  -3.016  -8.671   0.704
   18   1HB   ARG   2          2HB       ARG   2  -1.711 -11.053  -0.146
   19   2HB   ARG   2          1HB       ARG   2  -3.334 -11.079  -0.838
   20   1HG   ARG   2          2HG       ARG   2  -3.021  -8.939  -1.876
   21   2HG   ARG   2          1HG       ARG   2  -1.523  -8.659  -0.988
   22   1HD   ARG   2          2HD       ARG   2  -0.287  -9.980  -2.402
   23   2HD   ARG   2          1HD       ARG   2  -1.615 -11.136  -2.640
   24    HE   ARG   2           HE       ARG   2  -2.219  -8.524  -3.766
   25   1HH1  ARG   2          1HH1      ARG   2  -2.577 -11.553  -4.669
   26   2HH1  ARG   2          2HH1      ARG   2  -1.779 -11.468  -6.205
   27   1HH2  ARG   2          1HH2      ARG   2  -0.327  -8.382  -5.575
   28   2HH2  ARG   2          2HH2      ARG   2  -0.506  -9.672  -6.717
   29    H    TRP   3           H        TRP   3  -5.057  -8.274   1.569
   30    HA   TRP   3           HA       TRP   3  -7.112 -10.389   1.166
   31   1HB   TRP   3          2HB       TRP   3  -6.017 -10.330   3.530
   32   2HB   TRP   3          1HB       TRP   3  -6.939  -8.842   3.750
   33    HD1  TRP   3           HD1      TRP   3  -9.681  -9.185   2.978
   34    HE1  TRP   3           HE1      TRP   3 -11.234 -11.109   3.708
   35    HE3  TRP   3           HE3      TRP   3  -6.197 -12.667   4.323
   36    HZ2  TRP   3           HZ2      TRP   3 -11.025 -13.774   4.728
   37    HZ3  TRP   3           HZ3      TRP   3  -6.900 -14.888   5.170
   38    HH2  TRP   3           HH2      TRP   3  -9.307 -15.446   5.373
   39    H    CYS   4           H        CYS   4  -7.674  -8.825  -0.583
   40    HA   CYS   4           HA       CYS   4  -9.043  -7.090  -1.432
   41   1HB   CYS   4          2HB       CYS   4 -10.003  -7.697   1.334
   42   2HB   CYS   4          1HB       CYS   4 -10.647  -6.258   0.546
   43    H    PHE   5           H        PHE   5  -8.490  -4.985  -1.830
   44    HA   PHE   5           HA       PHE   5  -7.200  -3.426   0.389
   45   1HB   PHE   5          2HB       PHE   5  -6.578  -3.714  -2.558
   46   2HB   PHE   5          1HB       PHE   5  -5.929  -2.386  -1.595
   47    HD1  PHE   5           HD1      PHE   5  -4.154  -2.731  -0.025
   48    HD2  PHE   5           HD2      PHE   5  -6.039  -6.084  -1.936
   49    HE1  PHE   5           HE1      PHE   5  -2.374  -4.225   0.841
   50    HE2  PHE   5           HE2      PHE   5  -4.259  -7.578  -1.070
   51    HZ   PHE   5           HZ       PHE   5  -2.427  -6.648   0.318
   52    H    ARG   6           H        ARG   6  -7.150  -0.949  -0.524
   53    HA   ARG   6           HA       ARG   6  -9.513  -0.139  -2.033
   54   1HB   ARG   6          2HB       ARG   6 -10.729   0.796  -0.134
   55   2HB   ARG   6          1HB       ARG   6 -10.417  -0.911   0.179
   56   1HG   ARG   6          2HG       ARG   6  -8.241  -0.040   1.340
   57   2HG   ARG   6          1HG       ARG   6  -9.097   1.502   1.397
   58   1HD   ARG   6          2HD       ARG   6 -10.796   0.652   2.795
   59   2HD   ARG   6          1HD       ARG   6 -10.427  -1.031   2.369
   60    HE   ARG   6           HE       ARG   6  -8.893  -0.964   4.157
   61   1HH1  ARG   6          1HH2      ARG   6  -9.915   2.115   4.200
   62   2HH1  ARG   6          2HH2      ARG   6  -8.380   2.866   4.484
   63   1HH2  ARG   6          1HH1      ARG   6  -6.555  -0.011   3.836
   64   2HH2  ARG   6          2HH1      ARG   6  -6.478   1.662   4.278
   65    H    VAL   7           H        VAL   7  -8.578   1.553  -3.114
   66    HA   VAL   7           HA       VAL   7  -6.661   3.325  -1.662
   67    HB   VAL   7           HB       VAL   7  -7.328   3.164  -4.615
   68   1HG1  VAL   7          1HG1      VAL   7  -5.011   4.278  -3.014
   69   2HG1  VAL   7          2HG1      VAL   7  -6.120   5.169  -4.056
   70   3HG1  VAL   7          3HG1      VAL   7  -4.955   4.049  -4.761
   71   1HG2  VAL   7          1HG2      VAL   7  -4.950   1.875  -4.366
   72   2HG2  VAL   7          2HG2      VAL   7  -6.502   1.038  -4.398
   73   3HG2  VAL   7          3HG2      VAL   7  -5.723   1.393  -2.856
   74    H    CYS   8           H        CYS   8  -7.175   5.461  -1.284
   75    HA   CYS   8           HA       CYS   8  -9.814   6.436  -2.329
   76   1HB   CYS   8          2HB       CYS   8  -8.353   6.667   0.289
   77   2HB   CYS   8          1HB       CYS   8  -9.526   7.905  -0.162
   78    H    TYR   9           H        TYR   9  -9.619   8.122  -3.735
   79    HA   TYR   9           HA       TYR   9  -7.056   9.618  -3.881
   80   1HB   TYR   9          2HB       TYR   9  -8.547   8.501  -5.780
   81   2HB   TYR   9          1HB       TYR   9  -9.413  10.035  -5.689
   82    HD1  TYR   9           HD1      TYR   9  -7.728  12.170  -5.500
   83    HD2  TYR   9           HD2      TYR   9  -6.795   8.391  -7.324
   84    HE1  TYR   9           HE1      TYR   9  -5.952  13.254  -6.844
   85    HE2  TYR   9           HE2      TYR   9  -5.020   9.478  -8.665
   86    HH   TYR   9           HH       TYR   9  -4.267  11.531  -9.395
   87    H    ARG  10           H        ARG  10  -7.141  11.172  -2.225
   88    HA   ARG  10           HA       ARG  10  -7.990  12.991  -0.954
   89   1HB   ARG  10          2HB       ARG  10  -7.141  13.885  -3.131
   90   2HB   ARG  10          1HB       ARG  10  -8.775  13.754  -3.784
   91   1HG   ARG  10          2HG       ARG  10  -9.422  15.163  -1.652
   92   2HG   ARG  10          1HG       ARG  10  -7.721  15.624  -1.686
   93   1HD   ARG  10          2HD       ARG  10  -7.922  16.558  -3.892
   94   2HD   ARG  10          1HD       ARG  10  -9.535  15.850  -4.109
   95    HE   ARG  10           HE       ARG  10  -9.419  17.511  -1.738
   96   1HH1  ARG  10          1HH1      ARG  10 -11.530  17.186  -4.032
   97   2HH1  ARG  10          2HH1      ARG  10 -11.587  18.819  -4.605
   98   1HH2  ARG  10          1HH2      ARG  10  -8.690  19.778  -2.959
   99   2HH2  ARG  10          2HH2      ARG  10  -9.980  20.287  -3.997
  100    H    GLY  11           H        GLY  11  -9.797  11.051  -0.585
  101   1HA   GLY  11          2HA       GLY  11 -12.097  10.513  -0.383
  102   2HA   GLY  11          1HA       GLY  11 -12.151  12.166   0.228
  103    H    ARG  12           H        ARG  12 -11.376  11.350  -3.127
  104    HA   ARG  12           HA       ARG  12 -13.868  12.784  -3.938
  105   1HB   ARG  12          2HB       ARG  12 -12.097  13.972  -4.842
  106   2HB   ARG  12          1HB       ARG  12 -11.057  12.553  -4.920
  107   1HG   ARG  12          2HG       ARG  12 -12.355  11.697  -6.828
  108   2HG   ARG  12          1HG       ARG  12 -13.403  13.113  -6.752
  109   1HD   ARG  12          2HD       ARG  12 -10.620  13.933  -6.816
  110   2HD   ARG  12          1HD       ARG  12 -11.001  12.897  -8.205
  111    HE   ARG  12           HE       ARG  12 -12.504  15.385  -7.493
  112   1HH1  ARG  12          1HH2      ARG  12 -10.629  14.819  -9.935
  113   2HH1  ARG  12          2HH2      ARG  12 -11.818  14.666 -11.185
  114   1HH2  ARG  12          1HH1      ARG  12 -14.478  14.343  -8.983
  115   2HH2  ARG  12          2HH1      ARG  12 -13.997  14.396 -10.647
  116    H    PHE  13           H        PHE  13 -12.471   9.725  -3.760
  117    HA   PHE  13           HA       PHE  13 -14.587   8.263  -4.866
  118   1HB   PHE  13          2HB       PHE  13 -12.993   9.649  -6.822
  119   2HB   PHE  13          1HB       PHE  13 -12.812   7.910  -7.054
  120    HD1  PHE  13           HD1      PHE  13 -14.565  10.460  -8.359
  121    HD2  PHE  13           HD2      PHE  13 -15.338   6.769  -6.303
  122    HE1  PHE  13           HE1      PHE  13 -16.816  10.356  -9.393
  123    HE2  PHE  13           HE2      PHE  13 -17.589   6.664  -7.337
  124    HZ   PHE  13           HZ       PHE  13 -18.329   8.457  -8.882
  125    H    CYS  14           H        CYS  14 -13.993   6.691  -3.368
  126    HA   CYS  14           HA       CYS  14 -11.229   5.665  -3.267
  127   1HB   CYS  14          2HB       CYS  14 -13.819   5.084  -1.807
  128   2HB   CYS  14          1HB       CYS  14 -12.319   4.221  -1.466
  129    H    TYR  15           H        TYR  15 -10.849   3.291  -3.468
  130    HA   TYR  15           HA       TYR  15 -12.750   1.972  -5.377
  131   1HB   TYR  15          2HB       TYR  15  -9.723   1.818  -5.420
  132   2HB   TYR  15          1HB       TYR  15 -10.839   1.268  -6.669
  133    HD1  TYR  15           HD1      TYR  15 -12.678   3.317  -7.195
  134    HD2  TYR  15           HD2      TYR  15  -8.563   3.736  -6.038
  135    HE1  TYR  15           HE1      TYR  15 -12.610   5.562  -8.246
  136    HE2  TYR  15           HE2      TYR  15  -8.495   5.981  -7.089
  137    HH   TYR  15           HH       TYR  15 -10.736   7.814  -7.649
  138    H    ARG  16           H        ARG  16 -13.550   0.846  -3.404
  139    HA   ARG  16           HA       ARG  16 -11.748  -0.832  -1.846
  140   1HB   ARG  16          2HB       ARG  16 -14.284   0.232  -1.599
  141   2HB   ARG  16          1HB       ARG  16 -14.620  -1.476  -1.886
  142   1HG   ARG  16          2HG       ARG  16 -12.414  -1.202  -0.041
  143   2HG   ARG  16          1HG       ARG  16 -13.805  -0.288   0.542
  144   1HD   ARG  16          2HD       ARG  16 -15.118  -2.503  -0.169
  145   2HD   ARG  16          1HD       ARG  16 -13.527  -3.237   0.116
  146    HE   ARG  16           HE       ARG  16 -13.867  -1.562   2.293
  147   1HH1  ARG  16          1HH1      ARG  16 -13.786  -4.466   2.745
  148   2HH1  ARG  16          2HH1      ARG  16 -15.364  -4.814   3.365
  149   1HH2  ARG  16          1HH2      ARG  16 -16.746  -1.831   2.262
  150   2HH2  ARG  16          2HH2      ARG  16 -17.040  -3.322   3.092
  151    H    LYS  17           H        LYS  17 -11.136  -2.917  -2.326
  152    HA   LYS  17           HA       LYS  17 -12.441  -4.237  -4.678
  153   1HB   LYS  17          2HB       LYS  17  -9.690  -4.441  -3.417
  154   2HB   LYS  17          1HB       LYS  17 -10.234  -5.475  -4.738
  155   1HG   LYS  17          2HG       LYS  17 -10.318  -2.458  -4.911
  156   2HG   LYS  17          1HG       LYS  17  -8.910  -3.394  -5.417
  157   1HD   LYS  17          2HD       LYS  17  -9.977  -4.269  -7.251
  158   2HD   LYS  17          1HD       LYS  17 -11.550  -4.294  -6.454
  159   1HE   LYS  17          2HE       LYS  17 -12.098  -2.239  -7.261
  160   2HE   LYS  17          1HE       LYS  17 -10.505  -1.572  -6.852
  161   1HZ   LYS  17          1HZ       LYS  17 -11.033  -1.832  -9.313
  162   2HZ   LYS  17          2HZ       LYS  17 -10.867  -3.505  -9.063
  163   3HZ   LYS  17          3HZ       LYS  17  -9.554  -2.465  -8.775
  164    H    CYS  18           H        CYS  18 -14.038  -5.513  -3.761
  165    HA   CYS  18           HA       CYS  18 -13.339  -7.943  -2.424
  166   1HB   CYS  18          2HB       CYS  18 -13.160  -5.732  -0.784
  167   2HB   CYS  18          1HB       CYS  18 -14.790  -6.314  -0.444
  168    H    ARG  19           H        ARG  19 -15.074  -9.320  -2.694
  169    HA   ARG  19           HA       ARG  19 -17.834  -8.210  -2.738
  170   1HB   ARG  19          2HB       ARG  19 -16.262  -9.354  -5.019
  171   2HB   ARG  19          1HB       ARG  19 -17.993  -9.682  -4.952
  172   1HG   ARG  19          2HG       ARG  19 -18.084  -7.055  -4.455
  173   2HG   ARG  19          1HG       ARG  19 -16.569  -7.091  -5.356
  174   1HD   ARG  19          2HD       ARG  19 -18.597  -8.737  -6.653
  175   2HD   ARG  19          1HD       ARG  19 -19.131  -7.053  -6.478
  176    HE   ARG  19           HE       ARG  19 -16.522  -6.774  -7.303
  177   1HH1  ARG  19          1HH1      ARG  19 -19.015  -6.291  -9.035
  178   2HH1  ARG  19          2HH1      ARG  19 -18.631  -7.251 -10.424
  179   1HH2  ARG  19          1HH2      ARG  19 -16.101  -9.014  -8.837
  180   2HH2  ARG  19          2HH2      ARG  19 -16.981  -8.793 -10.313
  Start of MODEL   15
    1   1H    ARG   1          1H        ARG   1  -0.711  -7.062   7.075
    2   2H    ARG   1          2H        ARG   1  -1.204  -7.323   8.680
    3   3H    ARG   1          3H        ARG   1  -2.000  -6.169   7.721
    4    HA   ARG   1           HA       ARG   1  -2.096  -9.126   7.461
    5   1HB   ARG   1          2HB       ARG   1  -3.496  -7.730   9.102
    6   2HB   ARG   1          1HB       ARG   1  -4.276  -7.038   7.679
    7   1HG   ARG   1          2HG       ARG   1  -5.689  -8.805   7.823
    8   2HG   ARG   1          1HG       ARG   1  -4.362  -9.734   7.128
    9   1HD   ARG   1          2HD       ARG   1  -5.039  -9.423  10.070
   10   2HD   ARG   1          1HD       ARG   1  -5.014 -10.919   9.116
   11    HE   ARG   1           HE       ARG   1  -2.538  -9.293   9.571
   12   1HH1  ARG   1          1HH1      ARG   1  -2.953 -11.810   7.732
   13   2HH1  ARG   1          2HH1      ARG   1  -2.157 -13.005   8.702
   14   1HH2  ARG   1          1HH2      ARG   1  -2.077 -11.024  11.547
   15   2HH2  ARG   1          2HH2      ARG   1  -1.661 -12.559  10.862
   16    H    ARG   2           H        ARG   2  -3.223  -9.899   5.556
   17    HA   ARG   2           HA       ARG   2  -3.151  -7.968   3.261
   18   1HB   ARG   2          2HB       ARG   2  -2.870 -10.991   3.305
   19   2HB   ARG   2          1HB       ARG   2  -2.621  -9.940   1.911
   20   1HG   ARG   2          2HG       ARG   2  -1.018  -8.941   4.050
   21   2HG   ARG   2          1HG       ARG   2  -0.730 -10.676   3.925
   22   1HD   ARG   2          2HD       ARG   2  -0.834  -9.638   1.264
   23   2HD   ARG   2          1HD       ARG   2   0.267  -8.615   2.209
   24    HE   ARG   2           HE       ARG   2   1.611 -10.560   2.691
   25   1HH1  ARG   2          1HH2      ARG   2   0.566 -10.881  -0.273
   26   2HH1  ARG   2          2HH2      ARG   2   0.302 -12.593  -0.288
   27   1HH2  ARG   2          1HH1      ARG   2   0.509 -12.922   3.159
   28   2HH2  ARG   2          2HH1      ARG   2   0.269 -13.748   1.656
   29    H    TRP   3           H        TRP   3  -5.225  -7.371   2.751
   30    HA   TRP   3           HA       TRP   3  -7.216  -9.334   2.004
   31   1HB   TRP   3          2HB       TRP   3  -6.946  -8.765   4.750
   32   2HB   TRP   3          1HB       TRP   3  -8.379  -7.877   4.231
   33    HD1  TRP   3           HD1      TRP   3  -7.039 -11.374   4.753
   34    HE1  TRP   3           HE1      TRP   3  -8.945 -13.077   4.415
   35    HE3  TRP   3           HE3      TRP   3 -10.658  -8.290   2.887
   36    HZ2  TRP   3           HZ2      TRP   3 -11.649 -13.124   3.478
   37    HZ3  TRP   3           HZ3      TRP   3 -12.887  -9.189   2.281
   38    HH2  TRP   3           HH2      TRP   3 -13.387 -11.600   2.574
   39    H    CYS   4           H        CYS   4  -7.342  -7.949   0.143
   40    HA   CYS   4           HA       CYS   4  -8.291  -6.177  -1.115
   41   1HB   CYS   4          2HB       CYS   4  -9.901  -6.694   1.163
   42   2HB   CYS   4          1HB       CYS   4  -9.792  -4.940   1.018
   43    H    PHE   5           H        PHE   5  -7.371  -4.226  -1.631
   44    HA   PHE   5           HA       PHE   5  -5.991  -2.716   0.564
   45   1HB   PHE   5          2HB       PHE   5  -5.396  -2.693  -2.408
   46   2HB   PHE   5          1HB       PHE   5  -4.351  -2.146  -1.097
   47    HD1  PHE   5           HD1      PHE   5  -5.704  -5.070  -2.870
   48    HD2  PHE   5           HD2      PHE   5  -3.189  -3.745   0.351
   49    HE1  PHE   5           HE1      PHE   5  -4.744  -7.349  -2.683
   50    HE2  PHE   5           HE2      PHE   5  -2.229  -6.025   0.539
   51    HZ   PHE   5           HZ       PHE   5  -3.008  -7.826  -0.978
   52    H    ARG   6           H        ARG   6  -8.005  -1.496   0.965
   53    HA   ARG   6           HA       ARG   6  -9.477  -0.054  -0.986
   54   1HB   ARG   6          2HB       ARG   6  -8.832   0.626   1.902
   55   2HB   ARG   6          1HB       ARG   6 -10.189   1.271   0.977
   56   1HG   ARG   6          2HG       ARG   6 -11.367  -0.703   1.063
   57   2HG   ARG   6          1HG       ARG   6  -9.907  -1.695   1.080
   58   1HD   ARG   6          2HD       ARG   6  -9.485  -0.833   3.445
   59   2HD   ARG   6          1HD       ARG   6 -11.132  -0.171   3.397
   60    HE   ARG   6           HE       ARG   6 -10.955  -2.975   2.562
   61   1HH1  ARG   6          1HH1      ARG   6  -9.910  -2.874   5.372
   62   2HH1  ARG   6          2HH1      ARG   6 -11.359  -3.050   6.303
   63   1HH2  ARG   6          1HH2      ARG   6 -13.467  -2.278   3.659
   64   2HH2  ARG   6          2HH2      ARG   6 -13.373  -2.712   5.333
   65    H    VAL   7           H        VAL   7  -8.934   1.708  -2.200
   66    HA   VAL   7           HA       VAL   7  -6.702   3.472  -1.252
   67    HB   VAL   7           HB       VAL   7  -7.176   2.617  -4.119
   68   1HG1  VAL   7          1HG1      VAL   7  -4.473   3.277  -3.190
   69   2HG1  VAL   7          2HG1      VAL   7  -5.610   4.612  -3.008
   70   3HG1  VAL   7          3HG1      VAL   7  -5.356   3.880  -4.593
   71   1HG2  VAL   7          1HG2      VAL   7  -4.978   1.226  -3.430
   72   2HG2  VAL   7          2HG2      VAL   7  -6.599   0.545  -3.292
   73   3HG2  VAL   7          3HG2      VAL   7  -5.802   1.219  -1.871
   74    H    CYS   8           H        CYS   8  -7.280   5.613  -1.320
   75    HA   CYS   8           HA       CYS   8  -9.582   6.393  -3.081
   76   1HB   CYS   8          2HB       CYS   8  -9.777   6.090  -0.424
   77   2HB   CYS   8          1HB       CYS   8  -9.129   7.730  -0.447
   78    H    TYR   9           H        TYR   9  -9.365   8.413  -4.087
   79    HA   TYR   9           HA       TYR   9  -6.664   9.648  -3.947
   80   1HB   TYR   9          2HB       TYR   9  -8.030   8.882  -6.049
   81   2HB   TYR   9          1HB       TYR   9  -8.906  10.395  -5.817
   82    HD1  TYR   9           HD1      TYR   9  -5.311   9.276  -5.636
   83    HD2  TYR   9           HD2      TYR   9  -8.124  12.169  -7.116
   84    HE1  TYR   9           HE1      TYR   9  -3.466  10.516  -6.726
   85    HE2  TYR   9           HE2      TYR   9  -6.275  13.407  -8.205
   86    HH   TYR   9           HH       TYR   9  -3.837  12.658  -9.093
   87    H    ARG  10           H        ARG  10  -6.864  10.871  -1.988
   88    HA   ARG  10           HA       ARG  10  -7.399  12.800  -0.740
   89   1HB   ARG  10          2HB       ARG  10  -7.864  13.394  -3.604
   90   2HB   ARG  10          1HB       ARG  10  -8.651  14.500  -2.478
   91   1HG   ARG  10          2HG       ARG  10  -5.700  13.808  -2.562
   92   2HG   ARG  10          1HG       ARG  10  -6.432  15.355  -2.984
   93   1HD   ARG  10          2HD       ARG  10  -7.358  14.704  -0.373
   94   2HD   ARG  10          1HD       ARG  10  -5.602  14.450  -0.388
   95    HE   ARG  10           HE       ARG  10  -6.970  17.006  -1.082
   96   1HH1  ARG  10          1HH2      ARG  10  -4.756  16.126   1.042
   97   2HH1  ARG  10          2HH2      ARG  10  -3.423  17.041   0.421
   98   1HH2  ARG  10          1HH1      ARG  10  -4.982  17.766  -2.590
   99   2HH2  ARG  10          2HH1      ARG  10  -3.551  17.970  -1.636
  100    H    GLY  11           H        GLY  11  -9.147  10.784  -0.309
  101   1HA   GLY  11          2HA       GLY  11 -11.407  10.218   0.140
  102   2HA   GLY  11          1HA       GLY  11 -11.373  11.812   0.891
  103    H    ARG  12           H        ARG  12 -11.123  11.103  -2.584
  104    HA   ARG  12           HA       ARG  12 -13.621  12.712  -2.972
  105   1HB   ARG  12          2HB       ARG  12 -11.040  12.350  -4.461
  106   2HB   ARG  12          1HB       ARG  12 -12.478  12.866  -5.342
  107   1HG   ARG  12          2HG       ARG  12 -11.632  14.233  -2.796
  108   2HG   ARG  12          1HG       ARG  12 -10.966  14.711  -4.357
  109   1HD   ARG  12          2HD       ARG  12 -13.741  14.511  -4.784
  110   2HD   ARG  12          1HD       ARG  12 -13.562  15.345  -3.228
  111    HE   ARG  12           HE       ARG  12 -11.647  16.368  -5.116
  112   1HH1  ARG  12          1HH1      ARG  12 -14.541  16.178  -6.361
  113   2HH1  ARG  12          2HH1      ARG  12 -15.049  17.819  -6.135
  114   1HH2  ARG  12          1HH2      ARG  12 -12.488  18.586  -3.928
  115   2HH2  ARG  12          2HH2      ARG  12 -13.887  19.181  -4.756
  116    H    PHE  13           H        PHE  13 -12.302   9.615  -3.233
  117    HA   PHE  13           HA       PHE  13 -14.637   8.311  -4.116
  118   1HB   PHE  13          2HB       PHE  13 -13.082   9.676  -6.185
  119   2HB   PHE  13          1HB       PHE  13 -13.315   7.964  -6.540
  120    HD1  PHE  13           HD1      PHE  13 -14.614  10.840  -7.541
  121    HD2  PHE  13           HD2      PHE  13 -15.921   7.393  -5.335
  122    HE1  PHE  13           HE1      PHE  13 -16.956  11.296  -8.215
  123    HE2  PHE  13           HE2      PHE  13 -18.264   7.850  -6.010
  124    HZ   PHE  13           HZ       PHE  13 -18.781   9.801  -7.450
  125    H    CYS  14           H        CYS  14 -13.923   6.628  -2.783
  126    HA   CYS  14           HA       CYS  14 -11.227   5.487  -3.092
  127   1HB   CYS  14          2HB       CYS  14 -13.571   4.425  -1.497
  128   2HB   CYS  14          1HB       CYS  14 -11.855   4.194  -1.176
  129    H    TYR  15           H        TYR  15 -10.824   3.345  -3.867
  130    HA   TYR  15           HA       TYR  15 -13.102   1.924  -5.173
  131   1HB   TYR  15          2HB       TYR  15 -11.407   1.627  -7.133
  132   2HB   TYR  15          1HB       TYR  15 -12.232   3.177  -6.978
  133    HD1  TYR  15           HD1      TYR  15 -11.047   5.057  -5.703
  134    HD2  TYR  15           HD2      TYR  15  -9.046   1.495  -7.029
  135    HE1  TYR  15           HE1      TYR  15  -8.859   6.203  -5.481
  136    HE2  TYR  15           HE2      TYR  15  -6.859   2.641  -6.806
  137    HH   TYR  15           HH       TYR  15  -6.227   5.426  -6.878
  138    H    ARG  16           H        ARG  16 -12.668   0.548  -3.219
  139    HA   ARG  16           HA       ARG  16 -10.337  -0.766  -2.499
  140   1HB   ARG  16          2HB       ARG  16 -13.113  -1.954  -2.831
  141   2HB   ARG  16          1HB       ARG  16 -11.853  -2.566  -1.757
  142   1HG   ARG  16          2HG       ARG  16 -11.847  -0.179  -0.745
  143   2HG   ARG  16          1HG       ARG  16 -13.403   0.012  -1.555
  144   1HD   ARG  16          2HD       ARG  16 -12.888  -2.408   0.175
  145   2HD   ARG  16          1HD       ARG  16 -13.417  -0.875   0.898
  146    HE   ARG  16           HE       ARG  16 -14.963  -1.758  -1.451
  147   1HH1  ARG  16          1HH1      ARG  16 -15.524  -0.044   1.179
  148   2HH1  ARG  16          2HH1      ARG  16 -16.795  -1.009   1.852
  149   1HH2  ARG  16          1HH2      ARG  16 -16.219  -3.708  -0.247
  150   2HH2  ARG  16          2HH2      ARG  16 -17.189  -3.083   1.045
  151    H    LYS  17           H        LYS  17  -9.673  -3.069  -3.050
  152    HA   LYS  17           HA       LYS  17 -10.260  -3.844  -5.871
  153   1HB   LYS  17          2HB       LYS  17  -8.246  -2.335  -5.712
  154   2HB   LYS  17          1HB       LYS  17  -7.481  -3.552  -4.690
  155   1HG   LYS  17          2HG       LYS  17  -7.013  -4.900  -6.452
  156   2HG   LYS  17          1HG       LYS  17  -8.603  -4.652  -7.172
  157   1HD   LYS  17          2HD       LYS  17  -7.297  -2.174  -7.406
  158   2HD   LYS  17          1HD       LYS  17  -6.084  -3.380  -7.835
  159   1HE   LYS  17          2HE       LYS  17  -8.259  -4.368  -9.165
  160   2HE   LYS  17          1HE       LYS  17  -8.558  -2.621  -9.270
  161   1HZ   LYS  17          1HZ       LYS  17  -5.841  -3.661  -9.710
  162   2HZ   LYS  17          2HZ       LYS  17  -6.558  -2.240 -10.306
  163   3HZ   LYS  17          3HZ       LYS  17  -6.971  -3.746 -10.973
  164    H    CYS  18           H        CYS  18 -11.066  -5.885  -5.536
  165    HA   CYS  18           HA       CYS  18  -9.375  -7.803  -3.988
  166   1HB   CYS  18          2HB       CYS  18 -12.019  -6.742  -3.357
  167   2HB   CYS  18          1HB       CYS  18 -12.037  -8.501  -3.476
  168    H    ARG  19           H        ARG  19  -9.327  -9.859  -4.930
  169    HA   ARG  19           HA       ARG  19 -11.347 -10.646  -6.928
  170   1HB   ARG  19          2HB       ARG  19  -9.037  -9.187  -7.647
  171   2HB   ARG  19          1HB       ARG  19  -8.721 -10.854  -8.134
  172   1HG   ARG  19          2HG       ARG  19 -10.749 -10.937  -9.436
  173   2HG   ARG  19          1HG       ARG  19 -11.282  -9.379  -8.801
  174   1HD   ARG  19          2HD       ARG  19  -9.656  -8.183 -10.035
  175   2HD   ARG  19          1HD       ARG  19  -8.675  -9.636 -10.313
  176    HE   ARG  19           HE       ARG  19 -10.914 -10.415 -11.540
  177   1HH1  ARG  19          1HH1      ARG  19 -11.854  -7.510 -11.437
  178   2HH1  ARG  19          2HH1      ARG  19 -11.379  -6.952 -13.005
  179   1HH2  ARG  19          1HH2      ARG  19  -9.242  -9.619 -13.599
  180   2HH2  ARG  19          2HH2      ARG  19  -9.899  -8.145 -14.230
  Start of MODEL   16
    1   1H    ARG   1          1H        ARG   1  -7.449  -9.170  -1.426
    2   2H    ARG   1          2H        ARG   1  -6.432  -9.624  -2.709
    3   3H    ARG   1          3H        ARG   1  -5.813  -8.721  -1.410
    4    HA   ARG   1           HA       ARG   1  -6.950 -11.440  -1.054
    5   1HB   ARG   1          2HB       ARG   1  -4.592 -10.559  -2.436
    6   2HB   ARG   1          1HB       ARG   1  -4.100 -11.380  -0.954
    7   1HG   ARG   1          2HG       ARG   1  -6.128 -12.540  -2.878
    8   2HG   ARG   1          1HG       ARG   1  -4.403 -12.893  -2.975
    9   1HD   ARG   1          2HD       ARG   1  -4.839 -13.369  -0.328
   10   2HD   ARG   1          1HD       ARG   1  -6.407 -13.844  -1.008
   11    HE   ARG   1           HE       ARG   1  -4.711 -15.027  -2.765
   12   1HH1  ARG   1          1HH1      ARG   1  -5.788 -15.708   0.302
   13   2HH1  ARG   1          2HH1      ARG   1  -4.555 -16.862   0.688
   14   1HH2  ARG   1          1HH2      ARG   1  -2.645 -16.156  -2.119
   15   2HH2  ARG   1          2HH2      ARG   1  -2.776 -17.115  -0.682
   16    H    ARG   2           H        ARG   2  -7.271 -11.676   1.121
   17    HA   ARG   2           HA       ARG   2  -6.893 -11.504   3.453
   18   1HB   ARG   2          2HB       ARG   2  -4.395 -11.401   2.125
   19   2HB   ARG   2          1HB       ARG   2  -4.350 -10.136   3.352
   20   1HG   ARG   2          2HG       ARG   2  -3.578 -12.381   4.185
   21   2HG   ARG   2          1HG       ARG   2  -4.937 -11.715   5.091
   22   1HD   ARG   2          2HD       ARG   2  -6.250 -13.475   4.531
   23   2HD   ARG   2          1HD       ARG   2  -5.860 -13.281   2.810
   24    HE   ARG   2           HE       ARG   2  -3.716 -14.517   3.297
   25   1HH1  ARG   2          1HH2      ARG   2  -5.900 -16.494   3.530
   26   2HH1  ARG   2          2HH2      ARG   2  -5.620 -17.197   5.087
   27   1HH2  ARG   2          1HH1      ARG   2  -3.544 -14.636   6.165
   28   2HH2  ARG   2          2HH1      ARG   2  -4.287 -16.146   6.579
   29    H    TRP   3           H        TRP   3  -7.818  -9.953   4.740
   30    HA   TRP   3           HA       TRP   3  -8.689  -7.827   5.336
   31   1HB   TRP   3          2HB       TRP   3  -5.818  -7.150   4.616
   32   2HB   TRP   3          1HB       TRP   3  -6.850  -6.253   5.730
   33    HD1  TRP   3           HD1      TRP   3  -4.237  -8.743   5.783
   34    HE1  TRP   3           HE1      TRP   3  -4.255 -10.105   7.974
   35    HE3  TRP   3           HE3      TRP   3  -8.851  -7.479   7.571
   36    HZ2  TRP   3           HZ2      TRP   3  -5.997 -10.593  10.190
   37    HZ3  TRP   3           HZ3      TRP   3  -9.663  -8.406   9.721
   38    HH2  TRP   3           HH2      TRP   3  -8.244  -9.960  11.032
   39    H    CYS   4           H        CYS   4 -10.156  -7.388   3.600
   40    HA   CYS   4           HA       CYS   4  -9.700  -6.668   0.972
   41   1HB   CYS   4          2HB       CYS   4 -11.594  -5.346   2.943
   42   2HB   CYS   4          1HB       CYS   4 -11.791  -5.375   1.191
   43    H    PHE   5           H        PHE   5  -8.407  -5.129   0.060
   44    HA   PHE   5           HA       PHE   5  -7.403  -2.879   1.694
   45   1HB   PHE   5          2HB       PHE   5  -6.862  -3.741  -1.167
   46   2HB   PHE   5          1HB       PHE   5  -5.906  -2.587  -0.237
   47    HD1  PHE   5           HD1      PHE   5  -5.612  -3.733   2.373
   48    HD2  PHE   5           HD2      PHE   5  -5.654  -5.723  -1.434
   49    HE1  PHE   5           HE1      PHE   5  -4.290  -5.599   3.333
   50    HE2  PHE   5           HE2      PHE   5  -4.332  -7.589  -0.473
   51    HZ   PHE   5           HZ       PHE   5  -3.651  -7.527   1.910
   52    H    ARG   6           H        ARG   6  -7.279  -0.698   0.372
   53    HA   ARG   6           HA       ARG   6  -9.464  -0.169  -1.493
   54   1HB   ARG   6          2HB       ARG   6 -10.578   1.401   0.213
   55   2HB   ARG   6          1HB       ARG   6 -10.801  -0.328   0.481
   56   1HG   ARG   6          2HG       ARG   6  -8.358   0.524   1.745
   57   2HG   ARG   6          1HG       ARG   6  -9.684   1.561   2.274
   58   1HD   ARG   6          2HD       ARG   6 -10.226  -1.377   2.167
   59   2HD   ARG   6          1HD       ARG   6  -9.195  -0.781   3.482
   60    HE   ARG   6           HE       ARG   6 -11.547   0.885   3.095
   61   1HH1  ARG   6          1HH2      ARG   6  -9.845  -1.011   5.250
   62   2HH1  ARG   6          2HH2      ARG   6 -11.215  -1.506   6.186
   63   1HH2  ARG   6          1HH1      ARG   6 -13.535  -0.173   3.981
   64   2HH2  ARG   6          2HH1      ARG   6 -13.305  -1.030   5.467
   65    H    VAL   7           H        VAL   7  -8.788   1.536  -2.724
   66    HA   VAL   7           HA       VAL   7  -6.729   3.383  -1.563
   67    HB   VAL   7           HB       VAL   7  -7.314   2.674  -4.456
   68   1HG1  VAL   7          1HG1      VAL   7  -4.971   4.044  -3.099
   69   2HG1  VAL   7          2HG1      VAL   7  -6.153   4.811  -4.160
   70   3HG1  VAL   7          3HG1      VAL   7  -5.036   3.610  -4.808
   71   1HG2  VAL   7          1HG2      VAL   7  -4.818   1.645  -3.460
   72   2HG2  VAL   7          2HG2      VAL   7  -6.174   0.755  -4.151
   73   3HG2  VAL   7          3HG2      VAL   7  -6.126   1.085  -2.420
   74    H    CYS   8           H        CYS   8  -7.388   5.480  -1.316
   75    HA   CYS   8           HA       CYS   8  -9.586   6.503  -3.075
   76   1HB   CYS   8          2HB       CYS   8 -10.179   5.689  -0.665
   77   2HB   CYS   8          1HB       CYS   8  -9.374   7.169  -0.143
   78    H    TYR   9           H        TYR   9  -9.381   8.708  -3.610
   79    HA   TYR   9           HA       TYR   9  -6.801   9.989  -2.784
   80   1HB   TYR   9          2HB       TYR   9  -7.876   9.369  -5.263
   81   2HB   TYR   9          1HB       TYR   9  -8.256  11.084  -5.087
   82    HD1  TYR   9           HD1      TYR   9  -5.343   9.129  -3.765
   83    HD2  TYR   9           HD2      TYR   9  -6.677  12.227  -6.428
   84    HE1  TYR   9           HE1      TYR   9  -2.990   9.708  -4.272
   85    HE2  TYR   9           HE2      TYR   9  -4.322  12.804  -6.933
   86    HH   TYR   9           HH       TYR   9  -1.629  11.093  -5.343
   87    H    ARG  10           H        ARG  10  -7.566  11.089  -0.909
   88    HA   ARG  10           HA       ARG  10  -8.548  12.893   0.250
   89   1HB   ARG  10          2HB       ARG  10  -7.565  13.968  -1.849
   90   2HB   ARG  10          1HB       ARG  10  -9.190  13.904  -2.530
   91   1HG   ARG  10          2HG       ARG  10  -8.879  16.088  -1.525
   92   2HG   ARG  10          1HG       ARG  10 -10.011  15.176  -0.524
   93   1HD   ARG  10          2HD       ARG  10  -8.620  15.767   1.196
   94   2HD   ARG  10          1HD       ARG  10  -7.572  14.475   0.575
   95    HE   ARG  10           HE       ARG  10  -7.157  16.879  -0.945
   96   1HH1  ARG  10          1HH1      ARG  10  -6.800  15.761   2.283
   97   2HH1  ARG  10          2HH1      ARG  10  -5.247  16.492   2.513
   98   1HH2  ARG  10          1HH2      ARG  10  -5.036  17.688  -0.735
   99   2HH2  ARG  10          2HH2      ARG  10  -4.249  17.584   0.803
  100    H    GLY  11           H        GLY  11 -10.175  10.748   0.187
  101   1HA   GLY  11          2HA       GLY  11 -12.420   9.993   0.055
  102   2HA   GLY  11          1HA       GLY  11 -12.698  11.545   0.841
  103    H    ARG  12           H        ARG  12 -11.466  11.358  -2.448
  104    HA   ARG  12           HA       ARG  12 -13.935  12.733  -3.375
  105   1HB   ARG  12          2HB       ARG  12 -11.102  12.389  -4.319
  106   2HB   ARG  12          1HB       ARG  12 -12.342  12.899  -5.466
  107   1HG   ARG  12          2HG       ARG  12 -11.992  14.272  -2.804
  108   2HG   ARG  12          1HG       ARG  12 -11.071  14.760  -4.226
  109   1HD   ARG  12          2HD       ARG  12 -13.686  14.564  -5.180
  110   2HD   ARG  12          1HD       ARG  12 -13.865  15.305  -3.577
  111    HE   ARG  12           HE       ARG  12 -12.426  17.114  -4.285
  112   1HH1  ARG  12          1HH2      ARG  12 -10.568  15.567  -6.045
  113   2HH1  ARG  12          2HH2      ARG  12 -11.011  16.124  -7.624
  114   1HH2  ARG  12          1HH1      ARG  12 -14.039  17.463  -6.594
  115   2HH2  ARG  12          2HH1      ARG  12 -12.975  17.197  -7.935
  116    H    PHE  13           H        PHE  13 -12.505   9.664  -3.370
  117    HA   PHE  13           HA       PHE  13 -14.593   8.271  -4.628
  118   1HB   PHE  13          2HB       PHE  13 -12.797   9.722  -6.427
  119   2HB   PHE  13          1HB       PHE  13 -12.898   8.005  -6.816
  120    HD1  PHE  13           HD1      PHE  13 -15.676   7.404  -5.915
  121    HD2  PHE  13           HD2      PHE  13 -14.108  10.738  -8.123
  122    HE1  PHE  13           HE1      PHE  13 -17.901   7.765  -6.948
  123    HE2  PHE  13           HE2      PHE  13 -16.334  11.100  -9.156
  124    HZ   PHE  13           HZ       PHE  13 -18.230   9.614  -8.569
  125    H    CYS  14           H        CYS  14 -13.983   6.662  -3.141
  126    HA   CYS  14           HA       CYS  14 -11.233   5.637  -3.052
  127   1HB   CYS  14          2HB       CYS  14 -13.769   4.536  -1.811
  128   2HB   CYS  14          1HB       CYS  14 -12.114   4.285  -1.256
  129    H    TYR  15           H        TYR  15 -10.826   3.274  -3.392
  130    HA   TYR  15           HA       TYR  15 -12.608   2.102  -5.503
  131   1HB   TYR  15          2HB       TYR  15  -9.593   1.866  -5.390
  132   2HB   TYR  15          1HB       TYR  15 -10.655   1.533  -6.758
  133    HD1  TYR  15           HD1      TYR  15  -8.432   3.880  -5.427
  134    HD2  TYR  15           HD2      TYR  15 -12.241   3.627  -7.397
  135    HE1  TYR  15           HE1      TYR  15  -8.197   6.230  -6.184
  136    HE2  TYR  15           HE2      TYR  15 -12.006   5.977  -8.153
  137    HH   TYR  15           HH       TYR  15 -10.833   7.903  -7.827
  138    H    ARG  16           H        ARG  16 -13.524   0.860  -3.651
  139    HA   ARG  16           HA       ARG  16 -12.056  -0.808  -1.900
  140   1HB   ARG  16          2HB       ARG  16 -14.796  -0.701  -3.080
  141   2HB   ARG  16          1HB       ARG  16 -14.335  -2.190  -2.255
  142   1HG   ARG  16          2HG       ARG  16 -14.670  -1.203  -0.263
  143   2HG   ARG  16          1HG       ARG  16 -13.465   0.022  -0.661
  144   1HD   ARG  16          2HD       ARG  16 -15.218   1.484  -0.580
  145   2HD   ARG  16          1HD       ARG  16 -15.656   0.817  -2.166
  146    HE   ARG  16           HE       ARG  16 -16.849   0.006   0.432
  147   1HH1  ARG  16          1HH1      ARG  16 -18.492   0.982  -1.874
  148   2HH1  ARG  16          2HH1      ARG  16 -19.093  -0.497  -2.545
  149   1HH2  ARG  16          1HH2      ARG  16 -16.776  -2.491  -0.906
  150   2HH2  ARG  16          2HH2      ARG  16 -18.121  -2.464  -1.997
  151    H    LYS  17           H        LYS  17 -11.175  -2.873  -2.129
  152    HA   LYS  17           HA       LYS  17 -11.596  -4.356  -4.673
  153   1HB   LYS  17          2HB       LYS  17  -9.656  -2.701  -4.825
  154   2HB   LYS  17          1HB       LYS  17  -8.845  -3.676  -3.599
  155   1HG   LYS  17          2HG       LYS  17  -8.227  -4.274  -5.973
  156   2HG   LYS  17          1HG       LYS  17  -8.866  -5.620  -5.029
  157   1HD   LYS  17          2HD       LYS  17 -10.725  -5.801  -6.319
  158   2HD   LYS  17          1HD       LYS  17 -10.929  -4.052  -6.430
  159   1HE   LYS  17          2HE       LYS  17 -10.368  -4.581  -8.644
  160   2HE   LYS  17          1HE       LYS  17  -8.764  -4.232  -7.970
  161   1HZ   LYS  17          1HZ       LYS  17  -9.993  -6.816  -8.591
  162   2HZ   LYS  17          2HZ       LYS  17  -8.976  -6.736  -7.232
  163   3HZ   LYS  17          3HZ       LYS  17  -8.381  -6.319  -8.769
  164    H    CYS  18           H        CYS  18 -12.421  -6.183  -3.674
  165    HA   CYS  18           HA       CYS  18 -10.561  -7.817  -2.083
  166   1HB   CYS  18          2HB       CYS  18 -11.652  -6.178  -0.503
  167   2HB   CYS  18          1HB       CYS  18 -13.208  -6.898  -0.918
  168    H    ARG  19           H        ARG  19 -10.837  -9.509  -3.579
  169    HA   ARG  19           HA       ARG  19 -13.241 -11.120  -3.349
  170   1HB   ARG  19          2HB       ARG  19 -13.257  -8.967  -5.176
  171   2HB   ARG  19          1HB       ARG  19 -13.045 -10.420  -6.154
  172   1HG   ARG  19          2HG       ARG  19 -14.969 -11.174  -4.298
  173   2HG   ARG  19          1HG       ARG  19 -15.399  -9.505  -4.680
  174   1HD   ARG  19          2HD       ARG  19 -15.418 -10.026  -7.081
  175   2HD   ARG  19          1HD       ARG  19 -14.919 -11.694  -6.735
  176    HE   ARG  19           HE       ARG  19 -17.573 -10.529  -6.140
  177   1HH1  ARG  19          1HH1      ARG  19 -15.889 -13.280  -6.976
  178   2HH1  ARG  19          2HH1      ARG  19 -16.790 -14.365  -5.970
  179   1HH2  ARG  19          1HH2      ARG  19 -18.492 -11.838  -4.315
  180   2HH2  ARG  19          2HH2      ARG  19 -18.264 -13.549  -4.463