*HEADER    ANTIMICROBIAL PEPTIDE                   21-NOV-03   1RKK              
*TITLE     POLYPHEMUSIN I NMR SOLUTION STRUCTURE                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: POLYPHEMUSIN I;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 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 TACHYPLEUS POLYPHEMUS                  
*SOURCE   6 (AMERICAN HORESHOE CRAB).                                            
*KEYWDS    POLYPHEMUSIN, BETA HAIRPIN, DISULFIDE BRIDGE, ANTI-                   
*KEYWDS   2 MICROBIAL PEPTIDE                                                    
*EXPDTA    NMR, 17 STRUCTURES                                                    
*AUTHOR    J.P.S.POWERS, A.ROZEK, R.E.W.HANCOCK                                  
*REVDAT   1   31-AUG-04 1RKK    0                                                

Polyphemusin I XPLOR NOE Distance restraints

assign ( resid   2 and name HN   ) (resid   1 and name HA   ) 2.3 0.3 0.3
assign ( resid   2 and name HN   ) (resid   1 and name HB*  ) 3.7 0.9 0.9
assign ( resid   2 and name HN   ) (resid   2 and name HB*  ) 3.1 0.8 0.8
assign ( resid   2 and name HN   ) (resid   2 and name HG1  ) 4.8 1.7 1.7
assign ( resid   2 and name HN   ) (resid   2 and name HG2  ) 4.8 1.7 1.7
assign ( resid   3 and name HN   ) (resid   2 and name HA   ) 2.1 0.2 0.2
assign ( resid   3 and name HN   ) (resid   2 and name HB*  ) 3.4 0.9 0.9
assign ( resid   3 and name HN   ) (resid   3 and name HB1  ) 3.7 1.3 1.3
assign ( resid   3 and name HN   ) (resid   3 and name HB2  ) 3.7 1.3 1.3
assign ( resid   3 and name HN   ) (resid   3 and name HD1  ) 4.1 1.0 1.0
assign ( resid   3 and name HN   ) (resid   2 and name HG*  ) 4.4 1.1 1.1
assign ( resid   3 and name HN   ) (resid   3 and name HZ2  ) 4.4 1.1 1.2
assign ( resid   3 and name HN   ) (resid   4 and name HN   ) 3.5 0.4 0.5
assign ( resid   3 and name HD1  ) (resid   3 and name HB1  ) 4.2 1.8 1.8
assign ( resid   3 and name HD1  ) (resid   3 and name HB2  ) 4.2 1.8 1.8
assign ( resid   3 and name HE1  ) (resid   3 and name HD1  ) 3.6 1.4 1.4
assign ( resid   3 and name HE1  ) (resid   3 and name HE3  ) 4.3 1.4 1.4
!assign ( resid   3 and name HE1  ) (resid   5 and name HB*  ) 6.4 2.7 2.8
!assign ( resid   3 and name HE1  ) (resid   5 and name HD*  ) 6.2 2.6 2.6
!assign ( resid   3 and name HE3  ) (resid   5 and name HB1  ) 5.1 2.1 2.1
!assign ( resid   3 and name HE3  ) (resid   5 and name HB2  ) 5.1 2.1 2.1
!assign ( resid   3 and name HZ2  ) (resid   1 and name HB*  ) 5.1 1.7 1.7
assign ( resid   3 and name HZ2  ) (resid   2 and name HB*  ) 4.7 1.5 1.5
!assign ( resid   3 and name HZ2  ) (resid   3 and name HB1  ) 4.3 1.7 2.0
!assign ( resid   3 and name HZ2  ) (resid   3 and name HB2  ) 4.3 1.7 2.0
!assign ( resid   3 and name HZ2  ) (resid   5 and name HB*  ) 5.0 1.6 1.6
assign ( resid   4 and name HA   ) (resid   5 and name HD*  ) 4.0 1.0 1.0
assign ( resid   4 and name HN   ) (resid   3 and name HA   ) 2.1 0.3 0.3
assign ( resid   4 and name HN   ) (resid   3 and name HB1  ) 4.0 1.4 1.4
assign ( resid   4 and name HN   ) (resid   3 and name HB2  ) 4.0 1.4 1.4
assign ( resid   4 and name HN   ) (resid   4 and name HA   ) 2.9 0.4 0.4
assign ( resid   4 and name HN   ) (resid   4 and name HB1  ) 3.8 1.5 1.5
assign ( resid   4 and name HN   ) (resid   4 and name HB2  ) 3.8 1.5 1.5
assign ( resid   5 and name HN   ) (resid   4 and name HA   ) 2.0 0.2 0.2
assign ( resid   5 and name HN   ) (resid   4 and name HN   ) 4.5 0.9 0.9
assign ( resid   5 and name HN   ) (resid   4 and name HB*  ) 3.1 0.9 0.9
assign ( resid   5 and name HN   ) (resid   5 and name HB1  ) 3.8 1.4 1.3
assign ( resid   5 and name HN   ) (resid   5 and name HB2  ) 3.8 1.4 1.3
assign ( resid   5 and name HN   ) (resid   5 and name HD*  ) 4.0 1.4 1.4
assign ( resid   5 and name HD*  ) (resid   5 and name HB1  ) 4.3 2.2 2.2
assign ( resid   5 and name HD*  ) (resid   5 and name HB2  ) 4.3 2.2 2.2
!assign ( resid   5 and name HD*  ) (resid   7 and name HG1* ) 5.2 2.5 2.4
!assign ( resid   5 and name HD*  ) (resid   7 and name HG2* ) 5.2 2.5 2.4
!assign ( resid   5 and name HE*  ) (resid   3 and name HB*  ) 5.7 2.3 2.2
!assign ( resid   5 and name HE*  ) (resid   7 and name HG1* ) 5.2 2.6 2.5
!assign ( resid   5 and name HE*  ) (resid   7 and name HG2* ) 5.2 2.6 2.5
assign ( resid   6 and name HN   ) (resid   5 and name HD*  ) 4.6 1.5 1.5
assign ( resid   6 and name HN   ) (resid   6 and name HB1  ) 3.4 1.2 1.2
assign ( resid   6 and name HN   ) (resid   6 and name HB2  ) 3.4 1.2 1.2
assign ( resid   6 and name HN   ) (resid   6 and name HG*  ) 3.8 0.9 1.0
assign ( resid   7 and name HB   ) (resid   7 and name HA   ) 2.9 0.4 0.4
assign ( resid   7 and name HN   ) (resid   6 and name HB*  ) 4.0 1.0 1.0
assign ( resid   7 and name HN   ) (resid   6 and name HG*  ) 3.7 0.9 0.9
assign ( resid   7 and name HN   ) (resid   7 and name HB   ) 2.6 0.4 0.4
assign ( resid   7 and name HN   ) (resid   7 and name HG1* ) 4.3 1.5 1.5
assign ( resid   7 and name HN   ) (resid   7 and name HG2* ) 4.3 1.5 1.5
assign ( resid   7 and name HN   ) (resid   8 and name HN   ) 3.5 0.4 0.5
assign ( resid   7 and name HN   ) (resid  13 and name HA   ) 3.5 0.5 0.4
assign ( resid   7 and name HN   ) (resid  13 and name HB*  ) 4.5 1.1 1.1
assign ( resid   7 and name HG1* ) (resid   7 and name HA   ) 3.7 1.2 1.2
assign ( resid   7 and name HG2* ) (resid   7 and name HA   ) 3.7 1.2 1.2
assign ( resid   8 and name HA   ) (resid  13 and name HA   ) 2.2 0.3 0.3
assign ( resid   8 and name HN   ) (resid   7 and name HA   ) 2.0 0.3 0.3
assign ( resid   8 and name HN   ) (resid   7 and name HG1* ) 4.2 1.3 1.2
assign ( resid   8 and name HN   ) (resid   7 and name HG2* ) 4.2 1.3 1.2
assign ( resid   8 and name HN   ) (resid   8 and name HA   ) 2.8 0.4 0.4
assign ( resid   8 and name HN   ) (resid   8 and name HB*  ) 3.7 0.9 0.9
assign ( resid   8 and name HN   ) (resid  13 and name HA   ) 3.8 0.5 0.5
assign ( resid   8 and name HN   ) (resid  16 and name HA   ) 4.8 1.1 1.2
assign ( resid   9 and name HN   ) (resid   8 and name HA   ) 2.0 0.2 0.2
assign ( resid   9 and name HN   ) (resid   8 and name HB1  ) 4.1 1.4 1.4
assign ( resid   9 and name HN   ) (resid   8 and name HB2  ) 4.1 1.4 1.4
assign ( resid   9 and name HN   ) (resid   9 and name HB*  ) 3.0 0.8 0.9
assign ( resid   9 and name HN   ) (resid   9 and name HD*  ) 4.6 1.5 1.5
assign ( resid   9 and name HN   ) (resid  11 and name HN   ) 3.4 0.4 0.4
assign ( resid   9 and name HN   ) (resid  12 and name HN   ) 2.8 0.4 0.4
assign ( resid   9 and name HN   ) (resid  12 and name HB*  ) 3.9 0.9 0.9
assign ( resid   9 and name HN   ) (resid  13 and name HA   ) 2.9 0.4 0.4
assign ( resid   9 and name HD*  ) (resid   9 and name HB*  ) 3.8 2.0 2.0
!assign ( resid   9 and name HD*  ) (resid  10 and name HB*  ) 4.9 1.9 1.9
assign ( resid  10 and name HA   ) (resid  10 and name HD*  ) 3.5 0.9 0.8
assign ( resid  10 and name HN   ) (resid   9 and name HB*  ) 3.5 0.9 0.8
assign ( resid  10 and name HN   ) (resid   9 and name HD*  ) 4.4 1.4 1.4
assign ( resid  10 and name HN   ) (resid  10 and name HA   ) 2.1 0.2 0.2
assign ( resid  10 and name HN   ) (resid  10 and name HB1  ) 4.3 1.3 1.4
assign ( resid  10 and name HN   ) (resid  10 and name HB2  ) 4.3 1.3 1.4
assign ( resid  10 and name HN   ) (resid  10 and name HG1  ) 4.0 1.4 1.3
assign ( resid  10 and name HN   ) (resid  10 and name HG2  ) 4.0 1.4 1.3
assign ( resid  10 and name HN   ) (resid  11 and name HN   ) 3.0 0.3 0.4
assign ( resid  10 and name HB1  ) (resid  10 and name HA   ) 3.5 1.3 1.3
assign ( resid  10 and name HB2  ) (resid  10 and name HA   ) 3.5 1.3 1.3
assign ( resid  10 and name HG*  ) (resid  10 and name HB1  ) 3.9 1.6 1.6
assign ( resid  10 and name HG1  ) (resid  10 and name HA   ) 4.2 1.3 1.3
assign ( resid  10 and name HG1  ) (resid  10 and name HB2  ) 2.8 0.4 0.4
assign ( resid  10 and name HG2  ) (resid  10 and name HA   ) 3.5 1.2 1.2
assign ( resid  10 and name HG2  ) (resid  10 and name HB*  ) 4.0 1.7 1.7
assign ( resid  11 and name HN   ) (resid  10 and name HA   ) 2.5 0.3 0.4
assign ( resid  11 and name HN   ) (resid  10 and name HB*  ) 3.6 0.9 0.9
assign ( resid  11 and name HN   ) (resid  11 and name HA*  ) 2.8 0.8 0.8
assign ( resid  11 and name HN   ) (resid  12 and name HN   ) 2.8 0.4 0.4
assign ( resid  12 and name HN   ) (resid  10 and name HA   ) 4.2 0.8 0.8
!assign ( resid  12 and name HN   ) (resid  10 and name HB1  ) 5.2 1.7 1.6
!assign ( resid  12 and name HN   ) (resid  10 and name HB2  ) 5.2 1.7 1.6
assign ( resid  12 and name HN   ) (resid  11 and name HA1  ) 3.9 1.3 1.3
assign ( resid  12 and name HN   ) (resid  11 and name HA2  ) 3.9 1.3 1.3
assign ( resid  12 and name HN   ) (resid  12 and name HB1  ) 3.4 1.2 1.2
assign ( resid  12 and name HN   ) (resid  12 and name HB2  ) 3.4 1.2 1.2
assign ( resid  12 and name HN   ) (resid  12 and name HD*  ) 4.7 1.5 1.5
!assign ( resid  12 and name HD*  ) (resid  12 and name HB1  ) 4.4 2.2 2.2
!assign ( resid  12 and name HD*  ) (resid  12 and name HB2  ) 4.4 2.2 2.2
assign ( resid  13 and name HA   ) (resid  13 and name HB*  ) 3.0 0.8 0.8
assign ( resid  13 and name HA   ) (resid  14 and name HD*  ) 4.3 1.4 1.4
assign ( resid  13 and name HN   ) (resid  11 and name HN   ) 4.5 0.9 0.9
assign ( resid  13 and name HN   ) (resid  12 and name HA   ) 2.0 0.3 0.3
assign ( resid  13 and name HN   ) (resid  12 and name HB1  ) 3.9 1.3 1.3
assign ( resid  13 and name HN   ) (resid  12 and name HB2  ) 3.9 1.3 1.3
assign ( resid  13 and name HN   ) (resid  12 and name HD*  ) 4.8 1.5 1.5
assign ( resid  13 and name HN   ) (resid  13 and name HA   ) 2.9 0.4 0.4
assign ( resid  13 and name HN   ) (resid  13 and name HB1  ) 3.7 1.6 1.5
assign ( resid  13 and name HN   ) (resid  13 and name HB2  ) 3.7 1.6 1.5
assign ( resid  14 and name HN   ) (resid   7 and name HA   ) 3.9 0.6 0.6
assign ( resid  14 and name HN   ) (resid   7 and name HB   ) 3.7 0.5 0.5
assign ( resid  14 and name HN   ) (resid   7 and name HN   ) 2.5 0.3 0.4
assign ( resid  14 and name HN   ) (resid   8 and name HA   ) 3.0 0.4 0.7
assign ( resid  14 and name HN   ) (resid  13 and name HA   ) 2.0 0.2 0.2
assign ( resid  14 and name HN   ) (resid  13 and name HN   ) 4.7 1.1 1.0
assign ( resid  14 and name HN   ) (resid  13 and name HB*  ) 3.3 0.8 0.8
assign ( resid  14 and name HN   ) (resid  14 and name HB*  ) 3.2 0.8 0.8
assign ( resid  14 and name HN   ) (resid  14 and name HD*  ) 3.9 1.4 1.4
assign ( resid  14 and name HN   ) (resid  15 and name HN   ) 4.3 0.8 0.9
!assign ( resid  14 and name HD*  ) (resid   7 and name HG1* ) 6.0 2.6 2.6
!assign ( resid  14 and name HD*  ) (resid   7 and name HG2* ) 6.0 2.6 2.6
assign ( resid  14 and name HD*  ) (resid  14 and name HB*  ) 3.5 1.7 1.8
!assign ( resid  14 and name HE*  ) (resid   7 and name HB   ) 5.2 1.7 1.7
!assign ( resid  14 and name HE*  ) (resid   7 and name HG1* ) 5.3 2.3 2.3
!assign ( resid  14 and name HE*  ) (resid   7 and name HG2* ) 5.3 2.3 2.3
!assign ( resid  14 and name HE*  ) (resid  12 and name HB1  ) 5.0 2.5 2.5
!assign ( resid  14 and name HE*  ) (resid  12 and name HB2  ) 5.0 2.5 2.5
assign ( resid  14 and name HE*  ) (resid  16 and name HB*  ) 4.6 1.9 1.8
!assign ( resid  14 and name HE*  ) (resid  16 and name HD*  ) 5.0 1.9 2.0
!assign ( resid  14 and name HE*  ) (resid  16 and name HG*  ) 5.2 2.0 1.9
assign ( resid  15 and name HN   ) (resid  14 and name HD*  ) 4.5 1.5 1.5
!assign ( resid  15 and name HN   ) (resid  15 and name HA   ) 2.1 0.2 0.4
assign ( resid  15 and name HN   ) (resid  15 and name HB*  ) 2.7 0.8 0.8
assign ( resid  15 and name HN   ) (resid  15 and name HD*  ) 3.6 0.9 0.9
assign ( resid  15 and name HN   ) (resid  15 and name HG1  ) 4.7 1.7 1.6
assign ( resid  15 and name HN   ) (resid  15 and name HG2  ) 4.7 1.7 1.6
assign ( resid  16 and name HN   ) (resid   4 and name HA   ) 3.2 0.4 0.4
assign ( resid  16 and name HN   ) (resid   4 and name HB1  ) 4.5 1.5 1.5
assign ( resid  16 and name HN   ) (resid   4 and name HB2  ) 4.5 1.5 1.5
assign ( resid  16 and name HN   ) (resid   5 and name HB*  ) 4.2 1.0 1.0
!assign ( resid  16 and name HN   ) (resid   7 and name HG*  ) 5.2 1.9 1.8
assign ( resid  16 and name HN   ) (resid  15 and name HA   ) 2.2 0.3 0.3
assign ( resid  16 and name HN   ) (resid  15 and name HN   ) 3.5 0.4 0.5
assign ( resid  16 and name HN   ) (resid  15 and name HB*  ) 3.8 0.9 0.9
assign ( resid  16 and name HN   ) (resid  16 and name HB1  ) 3.6 1.3 1.3
assign ( resid  16 and name HN   ) (resid  16 and name HB2  ) 3.6 1.3 1.3
assign ( resid  16 and name HN   ) (resid  16 and name HG*  ) 3.6 0.9 0.9
assign ( resid  16 and name HB*  ) (resid  16 and name HA   ) 3.4 0.9 0.9
assign ( resid  17 and name HN   ) (resid  16 and name HA   ) 2.0 0.2 0.2
assign ( resid  17 and name HN   ) (resid  16 and name HB1  ) 4.1 1.3 1.3
assign ( resid  17 and name HN   ) (resid  16 and name HB2  ) 4.1 1.3 1.3
assign ( resid  17 and name HN   ) (resid  16 and name HD*  ) 4.5 1.1 1.2
assign ( resid  17 and name HN   ) (resid  16 and name HG*  ) 4.0 1.0 1.0
assign ( resid  17 and name HN   ) (resid  17 and name HA   ) 2.8 0.4 0.4
assign ( resid  17 and name HN   ) (resid  17 and name HB1  ) 3.8 1.7 1.7
assign ( resid  17 and name HN   ) (resid  17 and name HB2  ) 3.8 1.7 1.7
assign ( resid  18 and name HN   ) (resid   3 and name HB*  ) 4.4 1.1 1.1
assign ( resid  18 and name HN   ) (resid  17 and name HA   ) 2.1 0.2 0.2
assign ( resid  18 and name HN   ) (resid  17 and name HN   ) 4.1 0.7 0.7
assign ( resid  18 and name HN   ) (resid  17 and name HB1  ) 4.0 1.4 1.3
assign ( resid  18 and name HN   ) (resid  17 and name HB2  ) 4.0 1.4 1.3
assign ( resid  18 and name HN   ) (resid  18 and name HB*  ) 3.6 0.9 0.9
!assign ( resid  19 and name HN*  ) (resid  18 and name HA   ) 3.0 0.8 0.9
!assign ( resid  19 and name HN*  ) (resid  18 and name HB*  ) 4.6 1.5 1.5




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1          1HT       ARG   1   0.756  -1.916   4.039
    2   2H    ARG   1          2HT       ARG   1  -0.307  -3.046   4.731
    3   3H    ARG   1          3HT       ARG   1  -0.577  -2.478   3.154
    4    HA   ARG   1           HA       ARG   1   0.942  -3.863   2.227
    5   1HB   ARG   1          2HB       ARG   1   2.526  -2.493   3.907
    6   2HB   ARG   1          1HB       ARG   1   2.585  -4.061   4.715
    7   1HG   ARG   1          2HG       ARG   1   3.490  -5.137   2.809
    8   2HG   ARG   1          1HG       ARG   1   3.057  -3.797   1.746
    9   1HD   ARG   1          2HD       ARG   1   5.179  -3.039   2.056
   10   2HD   ARG   1          1HD       ARG   1   4.687  -2.630   3.713
   11    HE   ARG   1           HE       ARG   1   5.262  -5.134   4.190
   12   1HH1  ARG   1          1HH1      ARG   1   7.593  -3.225   4.249
   13   2HH1  ARG   1          2HH1      ARG   1   8.733  -4.028   3.224
   14   1HH2  ARG   1          1HH2      ARG   1   6.377  -6.146   1.815
   15   2HH2  ARG   1          2HH2      ARG   1   8.045  -5.682   1.845
   16    H    ARG   2           H        ARG   2  -0.171  -5.786   2.092
   17    HA   ARG   2           HA       ARG   2  -0.913  -7.948   2.700
   18   1HB   ARG   2          2HB       ARG   2   1.544  -7.444   3.929
   19   2HB   ARG   2          1HB       ARG   2   0.527  -8.043   5.239
   20   1HG   ARG   2          2HG       ARG   2   1.629  -9.927   4.131
   21   2HG   ARG   2          1HG       ARG   2  -0.108  -9.988   3.821
   22   1HD   ARG   2          2HD       ARG   2   0.185  -9.697   1.583
   23   2HD   ARG   2          1HD       ARG   2   1.374  -8.402   1.829
   24    HE   ARG   2           HE       ARG   2   3.066 -10.181   2.278
   25   1HH1  ARG   2          1HH1      ARG   2   0.213 -11.850   2.081
   26   2HH1  ARG   2          2HH1      ARG   2   0.724 -12.974   0.867
   27   1HH2  ARG   2          1HH2      ARG   2   3.673 -11.291   0.169
   28   2HH2  ARG   2          2HH2      ARG   2   2.682 -12.658  -0.216
   29    H    TRP   3           H        TRP   3  -2.773  -8.596   3.754
   30    HA   TRP   3           HA       TRP   3  -4.740  -8.251   5.053
   31   1HB   TRP   3          2HB       TRP   3  -2.604  -7.957   7.183
   32   2HB   TRP   3          1HB       TRP   3  -4.208  -8.676   7.362
   33    HD1  TRP   3           HD       TRP   3  -4.628 -10.883   5.654
   34    HE1  TRP   3           1HE      TRP   3  -2.994 -12.814   5.163
   35    HE3  TRP   3           3HE      TRP   3  -0.232  -8.703   7.072
   36    HZ2  TRP   3           2HZ      TRP   3  -0.197 -13.360   5.346
   37    HZ3  TRP   3           3HZ      TRP   3   1.901  -9.952   6.903
   38    HH2  TRP   3           HH       TRP   3   1.925 -12.278   6.043
   39    H    CYS   4           H        CYS   4  -5.493  -6.183   4.337
   40    HA   CYS   4           HA       CYS   4  -6.116  -3.902   4.670
   41   1HB   CYS   4          2HB       CYS   4  -5.428  -5.099   7.271
   42   2HB   CYS   4          1HB       CYS   4  -5.284  -3.342   7.246
   43    H    PHE   5           H        PHE   5  -5.060  -2.064   4.021
   44    HA   PHE   5           HA       PHE   5  -2.089  -2.025   4.184
   45   1HB   PHE   5          2HB       PHE   5  -4.024  -0.236   2.681
   46   2HB   PHE   5          1HB       PHE   5  -2.295  -0.411   2.382
   47    HD1  PHE   5           1HD      PHE   5  -1.421  -2.254   1.120
   48    HD2  PHE   5           2HD      PHE   5  -5.571  -2.149   2.223
   49    HE1  PHE   5           1HE      PHE   5  -1.875  -4.154  -0.407
   50    HE2  PHE   5           2HE      PHE   5  -6.025  -4.049   0.696
   51    HZ   PHE   5           HZ       PHE   5  -4.177  -5.051  -0.619
   52    H    ARG   6           H        ARG   6  -4.871   0.152   4.795
   53    HA   ARG   6           HA       ARG   6  -5.075   1.979   6.281
   54   1HB   ARG   6          2HB       ARG   6  -4.108  -0.114   7.635
   55   2HB   ARG   6          1HB       ARG   6  -2.703   0.944   7.782
   56   1HG   ARG   6          2HG       ARG   6  -3.979   2.651   8.858
   57   2HG   ARG   6          1HG       ARG   6  -5.505   1.872   8.439
   58   1HD   ARG   6          2HD       ARG   6  -5.376   0.993  10.550
   59   2HD   ARG   6          1HD       ARG   6  -4.204  -0.128   9.831
   60    HE   ARG   6           HE       ARG   6  -2.889   2.335  10.486
   61   1HH1  ARG   6          1HH1      ARG   6  -4.594   1.650  12.945
   62   2HH1  ARG   6          2HH1      ARG   6  -3.457   0.741  13.883
   63   1HH2  ARG   6          1HH2      ARG   6  -1.272   0.240  11.238
   64   2HH2  ARG   6          2HH2      ARG   6  -1.577  -0.057  12.917
   65    H    VAL   7           H        VAL   7  -4.415   3.821   5.176
   66    HA   VAL   7           HA       VAL   7  -1.630   4.729   5.603
   67    HB   VAL   7           HB       VAL   7  -2.903   4.102   2.931
   68   1HG1  VAL   7          1HG1      VAL   7  -1.178   6.325   3.616
   69   2HG1  VAL   7          2HG1      VAL   7  -1.907   5.926   2.060
   70   3HG1  VAL   7          3HG1      VAL   7  -0.352   5.226   2.512
   71   1HG2  VAL   7          1HG2      VAL   7  -1.641   2.277   3.860
   72   2HG2  VAL   7          2HG2      VAL   7  -0.323   3.349   4.331
   73   3HG2  VAL   7          3HG2      VAL   7  -0.623   3.016   2.625
   74    H    CYS   8           H        CYS   8  -2.015   6.747   6.439
   75    HA   CYS   8           HA       CYS   8  -4.414   8.278   5.656
   76   1HB   CYS   8          2HB       CYS   8  -2.211   8.453   7.683
   77   2HB   CYS   8          1HB       CYS   8  -3.128   9.913   7.316
   78    H    TYR   9           H        TYR   9  -4.386   9.674   3.955
   79    HA   TYR   9           HA       TYR   9  -1.768  10.573   2.853
   80   1HB   TYR   9          2HB       TYR   9  -4.195   9.634   1.799
   81   2HB   TYR   9          1HB       TYR   9  -4.179  11.357   1.420
   82    HD1  TYR   9           1HD      TYR   9  -2.033   8.292   1.275
   83    HD2  TYR   9           2HD      TYR   9  -2.904  12.159  -0.383
   84    HE1  TYR   9           1HE      TYR   9  -0.403   7.878  -0.547
   85    HE2  TYR   9           2HE      TYR   9  -1.274  11.744  -2.205
   86    HH   TYR   9           HH       TYR   9   1.050   9.511  -2.118
   87    H    ARG  10           H        ARG  10  -2.532  11.819   5.295
   88    HA   ARG  10           HA       ARG  10  -2.771  13.971   6.216
   89   1HB   ARG  10          2HB       ARG  10  -2.293  14.748   3.321
   90   2HB   ARG  10          1HB       ARG  10  -2.031  15.776   4.730
   91   1HG   ARG  10          2HG       ARG  10  -0.413  13.990   5.570
   92   2HG   ARG  10          1HG       ARG  10  -0.521  13.270   3.963
   93   1HD   ARG  10          2HD       ARG  10  -0.038  15.848   3.266
   94   2HD   ARG  10          1HD       ARG  10   0.831  15.774   4.814
   95    HE   ARG  10           HE       ARG  10   2.011  13.749   3.917
   96   1HH1  ARG  10          1HH1      ARG  10   1.235  16.411   1.998
   97   2HH1  ARG  10          2HH1      ARG  10   1.728  15.689   0.502
   98   1HH2  ARG  10          1HH2      ARG  10   2.263  12.555   1.885
   99   2HH2  ARG  10          2HH2      ARG  10   2.310  13.507   0.438
  100    H    GLY  11           H        GLY  11  -5.195  12.675   5.598
  101   1HA   GLY  11          2HA       GLY  11  -7.188  14.486   5.854
  102   2HA   GLY  11          1HA       GLY  11  -6.884  14.583   4.118
  103    H    PHE  12           H        PHE  12  -6.285  11.866   3.615
  104    HA   PHE  12           HA       PHE  12  -8.864  10.511   4.339
  105   1HB   PHE  12          2HB       PHE  12  -7.781  11.389   1.807
  106   2HB   PHE  12          1HB       PHE  12  -7.972   9.635   1.799
  107    HD1  PHE  12           1HD      PHE  12  -9.601  12.359   0.708
  108    HD2  PHE  12           2HD      PHE  12 -10.278   9.109   3.434
  109    HE1  PHE  12           1HE      PHE  12 -12.050  12.624   0.417
  110    HE2  PHE  12           2HE      PHE  12 -12.727   9.375   3.144
  111    HZ   PHE  12           HZ       PHE  12 -13.613  11.132   1.636
  112    H    CYS  13           H        CYS  13  -8.495   8.557   5.308
  113    HA   CYS  13           HA       CYS  13  -5.819   7.266   4.915
  114   1HB   CYS  13          2HB       CYS  13  -7.082   8.115   7.189
  115   2HB   CYS  13          1HB       CYS  13  -7.597   6.428   7.128
  116    H    TYR  14           H        TYR  14  -5.777   5.242   4.011
  117    HA   TYR  14           HA       TYR  14  -8.264   4.078   2.984
  118   1HB   TYR  14          2HB       TYR  14  -5.438   4.013   2.488
  119   2HB   TYR  14          1HB       TYR  14  -6.005   2.356   2.695
  120    HD1  TYR  14           1HD      TYR  14  -7.303   1.283   1.021
  121    HD2  TYR  14           2HD      TYR  14  -6.645   5.524   0.838
  122    HE1  TYR  14           1HE      TYR  14  -8.298   1.340  -1.250
  123    HE2  TYR  14           2HE      TYR  14  -7.642   5.581  -1.432
  124    HH   TYR  14           HH       TYR  14  -7.928   3.839  -3.356
  125    H    ARG  15           H        ARG  15  -8.708   1.699   3.378
  126    HA   ARG  15           HA       ARG  15  -7.623   0.331   5.662
  127   1HB   ARG  15          2HB       ARG  15  -9.616   0.672   7.137
  128   2HB   ARG  15          1HB       ARG  15  -8.705   2.151   6.846
  129   1HG   ARG  15          2HG       ARG  15 -11.062   1.437   5.104
  130   2HG   ARG  15          1HG       ARG  15 -11.295   2.244   6.650
  131   1HD   ARG  15          2HD       ARG  15  -9.467   3.913   5.789
  132   2HD   ARG  15          1HD       ARG  15  -9.902   3.277   4.190
  133    HE   ARG  15           HE       ARG  15 -11.876   4.501   6.081
  134   1HH1  ARG  15          1HH1      ARG  15 -12.131   2.626   3.438
  135   2HH1  ARG  15          2HH1      ARG  15 -12.832   3.809   2.385
  136   1HH2  ARG  15          1HH2      ARG  15 -12.194   6.470   4.515
  137   2HH2  ARG  15          2HH2      ARG  15 -12.868   5.986   2.994
  138    H    LYS  16           H        LYS  16  -7.771  -1.207   3.777
  139    HA   LYS  16           HA       LYS  16 -10.482  -2.489   3.677
  140   1HB   LYS  16          2HB       LYS  16  -8.976  -1.206   1.626
  141   2HB   LYS  16          1HB       LYS  16  -8.961  -2.936   1.280
  142   1HG   LYS  16          2HG       LYS  16 -11.572  -1.814   2.132
  143   2HG   LYS  16          1HG       LYS  16 -10.993  -1.299   0.547
  144   1HD   LYS  16          2HD       LYS  16 -11.249  -3.370  -0.364
  145   2HD   LYS  16          1HD       LYS  16 -10.689  -4.186   1.097
  146   1HE   LYS  16          2HE       LYS  16 -12.845  -3.952   2.155
  147   2HE   LYS  16          1HE       LYS  16 -13.420  -2.879   0.864
  148   1HZ   LYS  16          1HZ       LYS  16 -12.781  -4.784  -0.685
  149   2HZ   LYS  16          2HZ       LYS  16 -14.198  -4.971   0.235
  150   3HZ   LYS  16          3HZ       LYS  16 -12.767  -5.759   0.704
  151    H    CYS  17           H        CYS  17 -10.212  -4.413   4.748
  152    HA   CYS  17           HA       CYS  17  -7.608  -5.792   4.779
  153   1HB   CYS  17          2HB       CYS  17 -10.237  -5.914   6.153
  154   2HB   CYS  17          1HB       CYS  17  -9.388  -7.452   6.007
  155    H    ARG  18           H        ARG  18  -7.103  -7.590   3.542
  156    HA   ARG  18           HA       ARG  18  -9.065  -9.343   2.349
  157   1HB   ARG  18          2HB       ARG  18  -9.397  -7.211   1.069
  158   2HB   ARG  18          1HB       ARG  18  -7.721  -7.318   0.531
  159   1HG   ARG  18          2HG       ARG  18  -8.129  -9.310  -0.700
  160   2HG   ARG  18          1HG       ARG  18  -9.678  -9.577   0.098
  161   1HD   ARG  18          2HD       ARG  18 -10.491  -8.622  -1.841
  162   2HD   ARG  18          1HD       ARG  18 -10.118  -7.113  -0.983
  163    HE   ARG  18           HE       ARG  18  -7.830  -7.254  -2.096
  164   1HH1  ARG  18          1HH1      ARG  18  -9.317  -9.946  -3.207
  165   2HH1  ARG  18          2HH1      ARG  18  -9.276  -9.539  -4.890
  166   1HH2  ARG  18          1HH2      ARG  18  -8.316  -6.252  -4.343
  167   2HH2  ARG  18          2HH2      ARG  18  -8.709  -7.447  -5.534
  168   1HN   NH2  19          1H        ARG  18  -7.571 -11.031   3.006
  169   2HN   NH2  19          2H        ARG  18  -6.049 -11.237   2.284
  Start of MODEL    2
    1   1H    ARG   1          1HT       ARG   1   5.079   7.955   3.116
    2   2H    ARG   1          2HT       ARG   1   3.434   7.586   3.325
    3   3H    ARG   1          3HT       ARG   1   3.936   9.204   3.208
    4    HA   ARG   1           HA       ARG   1   2.977   8.596   1.112
    5   1HB   ARG   1          2HB       ARG   1   5.229   9.891   1.481
    6   2HB   ARG   1          1HB       ARG   1   5.962   8.462   0.755
    7   1HG   ARG   1          2HG       ARG   1   3.773   9.046  -0.892
    8   2HG   ARG   1          1HG       ARG   1   4.489  10.616  -0.525
    9   1HD   ARG   1          2HD       ARG   1   6.327   8.363  -1.267
   10   2HD   ARG   1          1HD       ARG   1   5.422   9.185  -2.554
   11    HE   ARG   1           HE       ARG   1   6.367  11.299  -1.106
   12   1HH1  ARG   1          1HH2      ARG   1   7.541  10.023  -3.734
   13   2HH1  ARG   1          2HH2      ARG   1   9.224  10.036  -3.326
   14   1HH2  ARG   1          1HH1      ARG   1   8.675  10.634   0.045
   15   2HH2  ARG   1          2HH1      ARG   1   9.866  10.381  -1.186
   16    H    ARG   2           H        ARG   2   2.092   6.491   0.882
   17    HA   ARG   2           HA       ARG   2   3.557   4.605  -0.715
   18   1HB   ARG   2          2HB       ARG   2   3.962   2.877   0.941
   19   2HB   ARG   2          1HB       ARG   2   4.704   4.372   1.510
   20   1HG   ARG   2          2HG       ARG   2   3.114   4.689   3.176
   21   2HG   ARG   2          1HG       ARG   2   1.879   3.769   2.317
   22   1HD   ARG   2          2HD       ARG   2   2.661   1.734   3.090
   23   2HD   ARG   2          1HD       ARG   2   4.339   2.304   3.197
   24    HE   ARG   2           HE       ARG   2   2.373   3.543   5.039
   25   1HH1  ARG   2          1HH1      ARG   2   5.532   3.281   4.986
   26   2HH1  ARG   2          2HH1      ARG   2   5.748   2.317   6.409
   27   1HH2  ARG   2          1HH2      ARG   2   2.396   1.466   6.660
   28   2HH2  ARG   2          2HH2      ARG   2   3.971   1.291   7.357
   29    H    TRP   3           H        TRP   3   2.319   2.555  -0.968
   30    HA   TRP   3           HA       TRP   3  -0.612   2.988  -0.477
   31   1HB   TRP   3          2HB       TRP   3  -0.710   1.531  -2.646
   32   2HB   TRP   3          1HB       TRP   3  -0.232   3.222  -2.800
   33    HD1  TRP   3           HD       TRP   3   1.035  -0.290  -3.252
   34    HE1  TRP   3           1HE      TRP   3   3.451  -0.230  -4.153
   35    HE3  TRP   3           3HE      TRP   3   2.050   4.685  -2.720
   36    HZ2  TRP   3           2HZ      TRP   3   5.539   1.680  -4.585
   37    HZ3  TRP   3           3HZ      TRP   3   4.256   5.598  -3.384
   38    HH2  TRP   3           HH       TRP   3   6.000   4.102  -4.317
   39    H    CYS   4           H        CYS   4  -0.589   1.690   1.474
   40    HA   CYS   4           HA       CYS   4  -0.963  -1.138   1.070
   41   1HB   CYS   4          2HB       CYS   4   1.587  -0.663   0.844
   42   2HB   CYS   4          1HB       CYS   4   1.547  -0.451   2.595
   43    H    PHE   5           H        PHE   5  -1.997  -2.003   2.856
   44    HA   PHE   5           HA       PHE   5  -3.247  -1.884   4.873
   45   1HB   PHE   5          2HB       PHE   5  -0.519  -0.855   5.723
   46   2HB   PHE   5          1HB       PHE   5  -1.712  -1.614   6.779
   47    HD1  PHE   5           1HD      PHE   5   1.264  -2.290   5.291
   48    HD2  PHE   5           2HD      PHE   5  -2.721  -3.886   5.430
   49    HE1  PHE   5           1HE      PHE   5   2.139  -4.528   4.675
   50    HE2  PHE   5           2HE      PHE   5  -1.847  -6.123   4.815
   51    HZ   PHE   5           HZ       PHE   5   0.583  -6.445   4.437
   52    H    ARG   6           H        ARG   6  -3.198  -0.178   7.016
   53    HA   ARG   6           HA       ARG   6  -4.744   2.031   6.311
   54   1HB   ARG   6          2HB       ARG   6  -2.847   1.420   8.573
   55   2HB   ARG   6          1HB       ARG   6  -3.728   2.947   8.539
   56   1HG   ARG   6          2HG       ARG   6  -5.857   1.789   8.484
   57   2HG   ARG   6          1HG       ARG   6  -5.050   0.230   8.311
   58   1HD   ARG   6          2HD       ARG   6  -5.183   0.107  10.585
   59   2HD   ARG   6          1HD       ARG   6  -3.873   1.304  10.597
   60    HE   ARG   6           HE       ARG   6  -6.563   2.435  10.246
   61   1HH1  ARG   6          1HH2      ARG   6  -5.990   0.879  12.923
   62   2HH1  ARG   6          2HH2      ARG   6  -5.623   2.222  13.955
   63   1HH2  ARG   6          1HH1      ARG   6  -5.241   4.468  11.340
   64   2HH2  ARG   6          2HH1      ARG   6  -5.199   4.254  13.058
   65    H    VAL   7           H        VAL   7  -4.255   3.786   5.057
   66    HA   VAL   7           HA       VAL   7  -1.488   4.919   5.214
   67    HB   VAL   7           HB       VAL   7  -3.167   4.210   2.795
   68   1HG1  VAL   7          1HG1      VAL   7  -2.288   6.383   2.309
   69   2HG1  VAL   7          2HG1      VAL   7  -1.212   5.233   1.515
   70   3HG1  VAL   7          3HG1      VAL   7  -0.730   5.988   3.035
   71   1HG2  VAL   7          1HG2      VAL   7  -0.843   3.088   4.175
   72   2HG2  VAL   7          2HG2      VAL   7  -0.533   3.375   2.462
   73   3HG2  VAL   7          3HG2      VAL   7  -1.882   2.352   2.954
   74    H    CYS   8           H        CYS   8  -2.050   6.814   6.317
   75    HA   CYS   8           HA       CYS   8  -4.451   8.345   5.539
   76   1HB   CYS   8          2HB       CYS   8  -2.269   8.547   7.616
   77   2HB   CYS   8          1HB       CYS   8  -3.409   9.870   7.374
   78    H    TYR   9           H        TYR   9  -4.259   9.555   3.690
   79    HA   TYR   9           HA       TYR   9  -1.644  10.668   2.879
   80   1HB   TYR   9          2HB       TYR   9  -4.134   9.866   1.686
   81   2HB   TYR   9          1HB       TYR   9  -3.803  11.540   1.238
   82    HD1  TYR   9           1HD      TYR   9  -2.438  11.929  -0.608
   83    HD2  TYR   9           2HD      TYR   9  -1.991   8.270   1.597
   84    HE1  TYR   9           1HE      TYR   9  -0.728  11.159  -2.231
   85    HE2  TYR   9           2HE      TYR   9  -0.282   7.500  -0.026
   86    HH   TYR   9           HH       TYR   9   1.268   9.495  -2.146
   87    H    ARG  10           H        ARG  10  -2.449  11.819   5.297
   88    HA   ARG  10           HA       ARG  10  -2.808  13.916   6.299
   89   1HB   ARG  10          2HB       ARG  10  -2.059  14.599   3.446
   90   2HB   ARG  10          1HB       ARG  10  -2.245  15.829   4.697
   91   1HG   ARG  10          2HG       ARG  10  -0.572  14.552   6.088
   92   2HG   ARG  10          1HG       ARG  10  -0.290  13.514   4.690
   93   1HD   ARG  10          2HD       ARG  10  -0.156  16.256   3.830
   94   2HD   ARG  10          1HD       ARG  10   0.919  16.030   5.225
   95    HE   ARG  10           HE       ARG  10   0.990  14.006   3.043
   96   1HH1  ARG  10          1HH2      ARG  10   2.678  15.439   5.538
   97   2HH1  ARG  10          2HH2      ARG  10   4.165  15.631   4.670
   98   1HH2  ARG  10          1HH1      ARG  10   2.805  14.732   1.610
   99   2HH2  ARG  10          2HH1      ARG  10   4.237  15.231   2.446
  100    H    GLY  11           H        GLY  11  -5.191  12.633   5.633
  101   1HA   GLY  11          2HA       GLY  11  -7.211  14.414   5.840
  102   2HA   GLY  11          1HA       GLY  11  -6.865  14.526   4.114
  103    H    PHE  12           H        PHE  12  -6.247  11.832   3.575
  104    HA   PHE  12           HA       PHE  12  -8.863  10.487   4.184
  105   1HB   PHE  12          2HB       PHE  12  -7.628  11.323   1.736
  106   2HB   PHE  12          1HB       PHE  12  -7.700   9.561   1.744
  107    HD1  PHE  12           1HD      PHE  12 -10.012  12.007   3.362
  108    HD2  PHE  12           2HD      PHE  12  -9.494   9.043   0.297
  109    HE1  PHE  12           1HE      PHE  12 -12.439  12.101   2.862
  110    HE2  PHE  12           2HE      PHE  12 -11.921   9.138  -0.204
  111    HZ   PHE  12           HZ       PHE  12 -13.393  10.667   1.079
  112    H    CYS  13           H        CYS  13  -8.594   8.577   5.257
  113    HA   CYS  13           HA       CYS  13  -5.923   7.223   5.114
  114   1HB   CYS  13          2HB       CYS  13  -8.143   7.207   7.186
  115   2HB   CYS  13          1HB       CYS  13  -6.646   6.285   7.320
  116    H    TYR  14           H        TYR  14  -5.871   5.198   4.203
  117    HA   TYR  14           HA       TYR  14  -8.400   3.618   4.054
  118   1HB   TYR  14          2HB       TYR  14  -8.086   3.316   1.657
  119   2HB   TYR  14          1HB       TYR  14  -8.083   5.045   2.009
  120    HD1  TYR  14           1HD      TYR  14  -5.948   6.315   2.062
  121    HD2  TYR  14           2HD      TYR  14  -6.100   2.187   0.887
  122    HE1  TYR  14           1HE      TYR  14  -3.686   6.515   1.066
  123    HE2  TYR  14           2HE      TYR  14  -3.838   2.386  -0.108
  124    HH   TYR  14           HH       TYR  14  -2.441   5.036  -0.977
  125    H    ARG  15           H        ARG  15  -7.877   1.334   3.240
  126    HA   ARG  15           HA       ARG  15  -5.092   0.510   3.984
  127   1HB   ARG  15          2HB       ARG  15  -6.405   0.044   5.904
  128   2HB   ARG  15          1HB       ARG  15  -7.783  -0.477   4.936
  129   1HG   ARG  15          2HG       ARG  15  -5.309  -2.018   4.471
  130   2HG   ARG  15          1HG       ARG  15  -5.986  -2.188   6.090
  131   1HD   ARG  15          2HD       ARG  15  -7.606  -3.550   5.288
  132   2HD   ARG  15          1HD       ARG  15  -8.122  -2.293   4.146
  133    HE   ARG  15           HE       ARG  15  -5.990  -3.129   2.818
  134   1HH1  ARG  15          1HH2      ARG  15  -6.865  -5.330   5.145
  135   2HH1  ARG  15          2HH2      ARG  15  -7.202  -6.637   4.060
  136   1HH2  ARG  15          1HH1      ARG  15  -6.988  -4.673   1.209
  137   2HH2  ARG  15          2HH1      ARG  15  -7.272  -6.265   1.831
  138    H    LYS  16           H        LYS  16  -4.240  -0.496   2.203
  139    HA   LYS  16           HA       LYS  16  -5.430  -2.769   0.944
  140   1HB   LYS  16          2HB       LYS  16  -6.390  -0.167   0.138
  141   2HB   LYS  16          1HB       LYS  16  -5.587  -0.949  -1.223
  142   1HG   LYS  16          2HG       LYS  16  -6.974  -3.055  -0.415
  143   2HG   LYS  16          1HG       LYS  16  -8.013  -1.824   0.302
  144   1HD   LYS  16          2HD       LYS  16  -7.456  -0.868  -2.272
  145   2HD   LYS  16          1HD       LYS  16  -7.742  -2.595  -2.488
  146   1HE   LYS  16          2HE       LYS  16  -9.699  -1.621  -0.640
  147   2HE   LYS  16          1HE       LYS  16  -9.692  -0.550  -2.056
  148   1HZ   LYS  16          1HZ       LYS  16 -11.040  -2.714  -2.201
  149   2HZ   LYS  16          2HZ       LYS  16  -9.534  -3.482  -2.369
  150   3HZ   LYS  16          3HZ       LYS  16 -10.027  -2.317  -3.502
  151    H    CYS  17           H        CYS  17  -3.735  -3.824  -0.007
  152    HA   CYS  17           HA       CYS  17  -1.404  -2.180  -0.948
  153   1HB   CYS  17          2HB       CYS  17  -1.416  -3.761   1.208
  154   2HB   CYS  17          1HB       CYS  17  -1.117  -5.005  -0.005
  155    H    ARG  18           H        ARG  18  -0.946  -2.475  -3.095
  156    HA   ARG  18           HA       ARG  18  -2.429  -4.400  -4.700
  157   1HB   ARG  18          2HB       ARG  18  -0.338  -2.282  -5.087
  158   2HB   ARG  18          1HB       ARG  18  -0.643  -3.420  -6.401
  159   1HG   ARG  18          2HG       ARG  18  -3.185  -2.805  -5.815
  160   2HG   ARG  18          1HG       ARG  18  -2.422  -1.312  -5.268
  161   1HD   ARG  18          2HD       ARG  18  -2.287  -2.538  -8.042
  162   2HD   ARG  18          1HD       ARG  18  -2.935  -0.950  -7.585
  163    HE   ARG  18           HE       ARG  18  -0.477  -0.564  -6.723
  164   1HH1  ARG  18          1HH1      ARG  18  -1.297  -0.248  -9.731
  165   2HH1  ARG  18          2HH1      ARG  18   0.094  -0.950 -10.485
  166   1HH2  ARG  18          1HH2      ARG  18   1.265  -2.418  -7.569
  167   2HH2  ARG  18          2HH2      ARG  18   1.544  -2.180  -9.262
  168   1HN   NH2  19          1H        ARG  18  -0.722  -5.564  -6.465
  169   2HN   NH2  19          2H        ARG  18   0.423  -6.554  -5.697
  Start of MODEL    3
    1   1H    ARG   1          1HT       ARG   1   5.930  -7.106   8.863
    2   2H    ARG   1          2HT       ARG   1   6.459  -5.718   9.685
    3   3H    ARG   1          3HT       ARG   1   6.547  -5.789   7.990
    4    HA   ARG   1           HA       ARG   1   4.184  -5.712   7.769
    5   1HB   ARG   1          2HB       ARG   1   4.379  -7.025  10.208
    6   2HB   ARG   1          1HB       ARG   1   3.660  -5.475  10.647
    7   1HG   ARG   1          2HG       ARG   1   1.881  -5.779   9.020
    8   2HG   ARG   1          1HG       ARG   1   2.636  -7.254   8.417
    9   1HD   ARG   1          2HD       ARG   1   0.878  -7.943   9.928
   10   2HD   ARG   1          1HD       ARG   1   2.406  -8.179  10.800
   11    HE   ARG   1           HE       ARG   1   1.988  -6.052  11.974
   12   1HH1  ARG   1          1HH2      ARG   1  -0.476  -7.827  12.377
   13   2HH1  ARG   1          2HH2      ARG   1  -1.750  -6.683  12.115
   14   1HH2  ARG   1          1HH1      ARG   1   0.311  -4.334  10.615
   15   2HH2  ARG   1          2HH1      ARG   1  -1.305  -4.705  11.117
   16    H    ARG   2           H        ARG   2   3.819  -3.607   7.203
   17    HA   ARG   2           HA       ARG   2   3.699  -1.444   9.089
   18   1HB   ARG   2          2HB       ARG   2   5.777  -0.300   8.538
   19   2HB   ARG   2          1HB       ARG   2   6.165  -1.941   9.047
   20   1HG   ARG   2          2HG       ARG   2   6.719  -2.626   6.895
   21   2HG   ARG   2          1HG       ARG   2   5.702  -1.403   6.133
   22   1HD   ARG   2          2HD       ARG   2   7.637  -0.243   5.820
   23   2HD   ARG   2          1HD       ARG   2   7.553   0.111   7.557
   24    HE   ARG   2           HE       ARG   2   8.965  -2.294   6.457
   25   1HH1  ARG   2          1HH2      ARG   2   8.078  -1.237   9.408
   26   2HH1  ARG   2          2HH2      ARG   2   9.669  -0.983  10.043
   27   1HH2  ARG   2          1HH1      ARG   2  11.238  -1.317   6.969
   28   2HH2  ARG   2          2HH1      ARG   2  11.458  -1.028   8.663
   29    H    TRP   3           H        TRP   3   2.890   0.457   8.079
   30    HA   TRP   3           HA       TRP   3   1.608   1.548   6.404
   31   1HB   TRP   3          2HB       TRP   3   3.915   0.663   4.658
   32   2HB   TRP   3          1HB       TRP   3   3.022   2.182   4.591
   33    HD1  TRP   3           HD       TRP   3   6.277   1.531   5.229
   34    HE1  TRP   3           1HE      TRP   3   7.295   2.800   7.229
   35    HE3  TRP   3           3HE      TRP   3   2.007   2.866   7.695
   36    HZ2  TRP   3           2HZ      TRP   3   6.416   4.195   9.564
   37    HZ3  TRP   3           3HZ      TRP   3   2.127   4.163   9.803
   38    HH2  TRP   3           HH       TRP   3   4.324   4.829  10.740
   39    H    CYS   4           H        CYS   4  -0.097  -0.123   6.325
   40    HA   CYS   4           HA       CYS   4  -0.461  -1.237   3.668
   41   1HB   CYS   4          2HB       CYS   4   1.261  -2.701   5.007
   42   2HB   CYS   4          1HB       CYS   4  -0.171  -3.294   5.847
   43    H    PHE   5           H        PHE   5  -2.631  -1.702   3.353
   44    HA   PHE   5           HA       PHE   5  -4.945  -1.757   3.842
   45   1HB   PHE   5          2HB       PHE   5  -3.660  -3.016   6.280
   46   2HB   PHE   5          1HB       PHE   5  -5.404  -3.002   6.020
   47    HD1  PHE   5           1HD      PHE   5  -2.585  -4.974   5.638
   48    HD2  PHE   5           2HD      PHE   5  -6.020  -3.652   3.422
   49    HE1  PHE   5           1HE      PHE   5  -2.382  -6.945   4.147
   50    HE2  PHE   5           2HE      PHE   5  -5.817  -5.624   1.931
   51    HZ   PHE   5           HZ       PHE   5  -3.997  -7.270   2.293
   52    H    ARG   6           H        ARG   6  -3.057   0.505   4.919
   53    HA   ARG   6           HA       ARG   6  -5.116   2.144   6.081
   54   1HB   ARG   6          2HB       ARG   6  -4.702   0.470   7.906
   55   2HB   ARG   6          1HB       ARG   6  -3.032   1.030   7.987
   56   1HG   ARG   6          2HG       ARG   6  -3.600   2.885   9.149
   57   2HG   ARG   6          1HG       ARG   6  -4.967   3.226   8.087
   58   1HD   ARG   6          2HD       ARG   6  -5.025   1.057  10.211
   59   2HD   ARG   6          1HD       ARG   6  -5.639   2.702  10.472
   60    HE   ARG   6           HE       ARG   6  -6.726   0.779   8.460
   61   1HH1  ARG   6          1HH2      ARG   6  -6.853   3.849   7.987
   62   2HH1  ARG   6          2HH2      ARG   6  -8.467   4.172   8.527
   63   1HH2  ARG   6          1HH1      ARG   6  -8.819   1.125  10.143
   64   2HH2  ARG   6          2HH1      ARG   6  -9.579   2.629   9.748
   65    H    VAL   7           H        VAL   7  -4.301   3.841   4.815
   66    HA   VAL   7           HA       VAL   7  -1.606   4.869   5.592
   67    HB   VAL   7           HB       VAL   7  -2.707   4.506   2.786
   68   1HG1  VAL   7          1HG1      VAL   7  -0.220   5.126   2.285
   69   2HG1  VAL   7          2HG1      VAL   7  -0.244   5.831   3.901
   70   3HG1  VAL   7          3HG1      VAL   7  -1.354   6.422   2.665
   71   1HG2  VAL   7          1HG2      VAL   7  -0.348   3.128   2.923
   72   2HG2  VAL   7          2HG2      VAL   7  -1.933   2.393   3.165
   73   3HG2  VAL   7          3HG2      VAL   7  -0.971   2.891   4.556
   74    H    CYS   8           H        CYS   8  -2.185   6.801   6.528
   75    HA   CYS   8           HA       CYS   8  -4.476   8.361   5.557
   76   1HB   CYS   8          2HB       CYS   8  -2.412   8.555   7.739
   77   2HB   CYS   8          1HB       CYS   8  -3.419   9.952   7.367
   78    H    TYR   9           H        TYR   9  -4.235   9.580   3.733
   79    HA   TYR   9           HA       TYR   9  -1.567  10.582   2.935
   80   1HB   TYR   9          2HB       TYR   9  -3.688   9.551   1.593
   81   2HB   TYR   9          1HB       TYR   9  -4.047  11.272   1.445
   82    HD1  TYR   9           1HD      TYR   9  -1.603  12.645   1.135
   83    HD2  TYR   9           2HD      TYR   9  -2.615   8.724  -0.299
   84    HE1  TYR   9           1HE      TYR   9   0.114  12.851  -0.641
   85    HE2  TYR   9           2HE      TYR   9  -0.897   8.931  -2.075
   86    HH   TYR   9           HH       TYR   9   1.536  11.067  -2.038
   87    H    ARG  10           H        ARG  10  -2.543  11.786   5.332
   88    HA   ARG  10           HA       ARG  10  -2.845  13.924   6.267
   89   1HB   ARG  10          2HB       ARG  10  -0.949  14.271   4.632
   90   2HB   ARG  10          1HB       ARG  10  -2.145  14.807   3.451
   91   1HG   ARG  10          2HG       ARG  10  -1.178  16.748   4.595
   92   2HG   ARG  10          1HG       ARG  10  -2.880  16.579   5.030
   93   1HD   ARG  10          2HD       ARG  10  -1.450  15.005   6.900
   94   2HD   ARG  10          1HD       ARG  10  -0.579  16.546   6.775
   95    HE   ARG  10           HE       ARG  10  -2.850  17.654   7.095
   96   1HH1  ARG  10          1HH1      ARG  10  -1.648  15.166   8.975
   97   2HH1  ARG  10          2HH1      ARG  10  -3.133  14.823   9.798
   98   1HH2  ARG  10          1HH2      ARG  10  -5.040  16.899   7.778
   99   2HH2  ARG  10          2HH2      ARG  10  -5.053  15.805   9.120
  100    H    GLY  11           H        GLY  11  -5.224  12.719   5.543
  101   1HA   GLY  11          2HA       GLY  11  -7.125  14.720   5.477
  102   2HA   GLY  11          1HA       GLY  11  -6.794  14.418   3.770
  103    H    PHE  12           H        PHE  12  -6.473  11.725   3.623
  104    HA   PHE  12           HA       PHE  12  -8.867  10.509   4.936
  105   1HB   PHE  12          2HB       PHE  12  -8.719  11.463   2.294
  106   2HB   PHE  12          1HB       PHE  12  -8.562   9.712   2.158
  107    HD1  PHE  12           1HD      PHE  12 -10.746  12.486   3.180
  108    HD2  PHE  12           2HD      PHE  12 -10.345   8.216   2.936
  109    HE1  PHE  12           1HE      PHE  12 -13.180  12.234   3.584
  110    HE2  PHE  12           2HE      PHE  12 -12.779   7.965   3.340
  111    HZ   PHE  12           HZ       PHE  12 -14.196   9.974   3.665
  112    H    CYS  13           H        CYS  13  -8.451   8.416   5.590
  113    HA   CYS  13           HA       CYS  13  -5.810   7.243   4.870
  114   1HB   CYS  13          2HB       CYS  13  -7.305   7.543   7.219
  115   2HB   CYS  13          1HB       CYS  13  -7.444   5.830   6.827
  116    H    TYR  14           H        TYR  14  -5.661   5.384   3.663
  117    HA   TYR  14           HA       TYR  14  -8.212   3.937   3.023
  118   1HB   TYR  14          2HB       TYR  14  -7.190   3.686   0.719
  119   2HB   TYR  14          1HB       TYR  14  -7.598   5.345   1.155
  120    HD1  TYR  14           1HD      TYR  14  -4.896   2.979   0.465
  121    HD2  TYR  14           2HD      TYR  14  -5.827   6.946   1.825
  122    HE1  TYR  14           1HE      TYR  14  -2.535   3.654   0.113
  123    HE2  TYR  14           2HE      TYR  14  -3.466   7.620   1.474
  124    HH   TYR  14           HH       TYR  14  -1.060   5.301   0.221
  125    H    ARG  15           H        ARG  15  -6.996   1.944   1.432
  126    HA   ARG  15           HA       ARG  15  -5.150   0.602   3.381
  127   1HB   ARG  15          2HB       ARG  15  -7.634  -0.307   1.939
  128   2HB   ARG  15          1HB       ARG  15  -6.432  -1.489   2.458
  129   1HG   ARG  15          2HG       ARG  15  -7.268  -1.410   4.543
  130   2HG   ARG  15          1HG       ARG  15  -6.861   0.304   4.632
  131   1HD   ARG  15          2HD       ARG  15  -9.272   0.008   5.028
  132   2HD   ARG  15          1HD       ARG  15  -9.032   0.823   3.469
  133    HE   ARG  15           HE       ARG  15  -9.212  -2.144   3.471
  134   1HH1  ARG  15          1HH2      ARG  15 -11.175   0.607   3.482
  135   2HH1  ARG  15          2HH2      ARG  15 -12.082   0.169   2.073
  136   1HH2  ARG  15          1HH1      ARG  15 -10.099  -2.577   1.327
  137   2HH2  ARG  15          2HH1      ARG  15 -11.473  -1.633   0.853
  138    H    LYS  16           H        LYS  16  -3.205   0.324   2.378
  139    HA   LYS  16           HA       LYS  16  -2.992  -1.034  -0.183
  140   1HB   LYS  16          2HB       LYS  16  -3.311   1.820  -0.103
  141   2HB   LYS  16          1HB       LYS  16  -1.684   1.451  -0.676
  142   1HG   LYS  16          2HG       LYS  16  -3.257  -0.403  -2.011
  143   2HG   LYS  16          1HG       LYS  16  -4.260   1.048  -2.009
  144   1HD   LYS  16          2HD       LYS  16  -2.987   1.929  -3.638
  145   2HD   LYS  16          1HD       LYS  16  -1.579   1.845  -2.579
  146   1HE   LYS  16          2HE       LYS  16  -2.405  -0.735  -3.800
  147   2HE   LYS  16          1HE       LYS  16  -1.729   0.470  -4.914
  148   1HZ   LYS  16          1HZ       LYS  16  -0.490  -0.142  -2.294
  149   2HZ   LYS  16          2HZ       LYS  16   0.190   0.701  -3.602
  150   3HZ   LYS  16          3HZ       LYS  16  -0.062  -0.976  -3.706
  151    H    CYS  17           H        CYS  17  -1.013  -2.040  -0.214
  152    HA   CYS  17           HA       CYS  17   0.924  -1.404   1.929
  153   1HB   CYS  17          2HB       CYS  17   0.000  -3.689   0.565
  154   2HB   CYS  17          1HB       CYS  17   1.677  -3.493   0.059
  155    H    ARG  18           H        ARG  18   2.201   0.358   1.368
  156    HA   ARG  18           HA       ARG  18   3.698   0.157  -1.220
  157   1HB   ARG  18          2HB       ARG  18   1.899   1.770  -1.484
  158   2HB   ARG  18          1HB       ARG  18   2.328   2.555   0.036
  159   1HG   ARG  18          2HG       ARG  18   4.686   2.465  -1.553
  160   2HG   ARG  18          1HG       ARG  18   3.383   3.057  -2.585
  161   1HD   ARG  18          2HD       ARG  18   3.436   4.210   0.149
  162   2HD   ARG  18          1HD       ARG  18   4.784   4.677  -0.907
  163    HE   ARG  18           HE       ARG  18   2.593   4.901  -2.565
  164   1HH1  ARG  18          1HH2      ARG  18   4.209   6.793  -0.372
  165   2HH1  ARG  18          2HH2      ARG  18   2.921   7.917  -0.096
  166   1HH2  ARG  18          1HH1      ARG  18   0.561   6.042  -1.810
  167   2HH2  ARG  18          2HH1      ARG  18   0.855   7.492  -0.910
  168   1HN   NH2  19          1H        ARG  18   5.798  -0.273  -0.401
  169   2HN   NH2  19          2H        ARG  18   6.560   0.643   0.808
  Start of MODEL    4
    1   1H    ARG   1          1HT       ARG   1 -13.385  -4.776  -3.366
    2   2H    ARG   1          2HT       ARG   1 -12.510  -5.972  -4.196
    3   3H    ARG   1          3HT       ARG   1 -12.492  -4.366  -4.747
    4    HA   ARG   1           HA       ARG   1 -10.479  -4.428  -3.662
    5   1HB   ARG   1          2HB       ARG   1 -12.812  -3.411  -2.182
    6   2HB   ARG   1          1HB       ARG   1 -11.391  -3.666  -1.169
    7   1HG   ARG   1          2HG       ARG   1 -11.452  -1.379  -2.156
    8   2HG   ARG   1          1HG       ARG   1 -10.032  -2.293  -2.664
    9   1HD   ARG   1          2HD       ARG   1 -10.790  -2.519  -4.847
   10   2HD   ARG   1          1HD       ARG   1 -12.498  -2.456  -4.366
   11    HE   ARG   1           HE       ARG   1 -10.866  -0.006  -3.966
   12   1HH1  ARG   1          1HH1      ARG   1 -13.910  -0.198  -3.865
   13   2HH1  ARG   1          2HH1      ARG   1 -14.339   0.514  -5.385
   14   1HH2  ARG   1          1HH2      ARG   1 -11.146   0.245  -6.712
   15   2HH2  ARG   1          2HH2      ARG   1 -12.773   0.765  -6.997
   16    H    ARG   2           H        ARG   2  -9.128  -5.312  -1.914
   17    HA   ARG   2           HA       ARG   2 -10.276  -7.577  -0.362
   18   1HB   ARG   2          2HB       ARG   2  -8.163  -7.694  -2.518
   19   2HB   ARG   2          1HB       ARG   2  -8.251  -8.926  -1.260
   20   1HG   ARG   2          2HG       ARG   2 -10.864  -8.805  -2.011
   21   2HG   ARG   2          1HG       ARG   2 -10.071  -8.426  -3.541
   22   1HD   ARG   2          2HD       ARG   2  -9.397 -10.577  -3.807
   23   2HD   ARG   2          1HD       ARG   2  -8.751 -10.639  -2.155
   24    HE   ARG   2           HE       ARG   2 -11.533 -11.299  -2.944
   25   1HH1  ARG   2          1HH2      ARG   2  -9.727 -10.047  -0.359
   26   2HH1  ARG   2          2HH2      ARG   2 -10.356 -11.147   0.822
   27   1HH2  ARG   2          1HH1      ARG   2 -12.110 -13.043  -1.492
   28   2HH2  ARG   2          2HH1      ARG   2 -11.706 -12.844   0.181
   29    H    TRP   3           H        TRP   3  -8.856  -8.241   1.381
   30    HA   TRP   3           HA       TRP   3  -7.399  -7.768   3.181
   31   1HB   TRP   3          2HB       TRP   3  -5.714  -6.573   0.967
   32   2HB   TRP   3          1HB       TRP   3  -5.147  -7.350   2.448
   33    HD1  TRP   3           HD       TRP   3  -5.915 -10.018   2.707
   34    HE1  TRP   3           1HE      TRP   3  -6.021 -11.836   0.883
   35    HE3  TRP   3           3HE      TRP   3  -5.993  -7.075  -1.464
   36    HZ2  TRP   3           2HZ      TRP   3  -6.135 -12.011  -1.957
   37    HZ3  TRP   3           3HZ      TRP   3  -6.098  -8.098  -3.721
   38    HH2  TRP   3           HH       TRP   3  -6.165 -10.564  -3.973
   39    H    CYS   4           H        CYS   4  -7.852  -6.191   4.639
   40    HA   CYS   4           HA       CYS   4  -8.546  -3.472   3.875
   41   1HB   CYS   4          2HB       CYS   4  -9.193  -5.010   5.936
   42   2HB   CYS   4          1HB       CYS   4  -7.750  -4.292   6.655
   43    H    PHE   5           H        PHE   5  -7.253  -1.657   3.896
   44    HA   PHE   5           HA       PHE   5  -4.373  -2.042   4.655
   45   1HB   PHE   5          2HB       PHE   5  -5.610  -0.269   2.524
   46   2HB   PHE   5          1HB       PHE   5  -3.885  -0.506   2.804
   47    HD1  PHE   5           1HD      PHE   5  -3.176  -3.107   2.911
   48    HD2  PHE   5           2HD      PHE   5  -6.586  -1.530   0.829
   49    HE1  PHE   5           1HE      PHE   5  -3.212  -5.110   1.450
   50    HE2  PHE   5           2HE      PHE   5  -6.622  -3.534  -0.631
   51    HZ   PHE   5           HZ       PHE   5  -4.934  -5.324  -0.322
   52    H    ARG   6           H        ARG   6  -3.339   0.255   5.028
   53    HA   ARG   6           HA       ARG   6  -5.216   2.208   6.235
   54   1HB   ARG   6          2HB       ARG   6  -4.838   0.586   8.008
   55   2HB   ARG   6          1HB       ARG   6  -3.095   0.646   7.741
   56   1HG   ARG   6          2HG       ARG   6  -3.542   3.267   8.151
   57   2HG   ARG   6          1HG       ARG   6  -4.870   2.607   9.107
   58   1HD   ARG   6          2HD       ARG   6  -2.564   1.031   9.690
   59   2HD   ARG   6          1HD       ARG   6  -2.093   2.738   9.814
   60    HE   ARG   6           HE       ARG   6  -4.036   1.381  11.524
   61   1HH1  ARG   6          1HH2      ARG   6  -2.062   3.785  11.964
   62   2HH1  ARG   6          2HH2      ARG   6  -3.206   5.024  12.359
   63   1HH2  ARG   6          1HH1      ARG   6  -5.946   3.222  11.232
   64   2HH2  ARG   6          2HH1      ARG   6  -5.405   4.705  11.944
   65    H    VAL   7           H        VAL   7  -4.399   3.785   4.780
   66    HA   VAL   7           HA       VAL   7  -1.581   4.642   5.312
   67    HB   VAL   7           HB       VAL   7  -2.991   4.264   2.651
   68   1HG1  VAL   7          1HG1      VAL   7  -0.128   5.080   2.823
   69   2HG1  VAL   7          2HG1      VAL   7  -1.338   6.327   3.130
   70   3HG1  VAL   7          3HG1      VAL   7  -1.334   5.460   1.593
   71   1HG2  VAL   7          1HG2      VAL   7  -1.904   2.290   2.574
   72   2HG2  VAL   7          2HG2      VAL   7  -1.403   2.548   4.245
   73   3HG2  VAL   7          3HG2      VAL   7  -0.368   3.082   2.921
   74    H    CYS   8           H        CYS   8  -2.101   6.541   6.419
   75    HA   CYS   8           HA       CYS   8  -4.319   8.262   5.640
   76   1HB   CYS   8          2HB       CYS   8  -2.040   8.311   7.597
   77   2HB   CYS   8          1HB       CYS   8  -2.958   9.789   7.313
   78    H    TYR   9           H        TYR   9  -4.269   9.771   4.041
   79    HA   TYR   9           HA       TYR   9  -1.620  10.569   2.905
   80   1HB   TYR   9          2HB       TYR   9  -3.407   9.442   1.518
   81   2HB   TYR   9          1HB       TYR   9  -4.423  10.859   1.783
   82    HD1  TYR   9           1HD      TYR   9  -0.785  10.352   0.993
   83    HD2  TYR   9           2HD      TYR   9  -4.490  12.233  -0.090
   84    HE1  TYR   9           1HE      TYR   9   0.355  11.519  -0.874
   85    HE2  TYR   9           2HE      TYR   9  -3.351  13.402  -1.958
   86    HH   TYR   9           HH       TYR   9  -0.872  14.131  -2.427
   87    H    ARG  10           H        ARG  10  -2.724  11.776   5.369
   88    HA   ARG  10           HA       ARG  10  -2.866  13.946   6.272
   89   1HB   ARG  10          2HB       ARG  10  -1.098  14.181   4.381
   90   2HB   ARG  10          1HB       ARG  10  -2.396  14.947   3.463
   91   1HG   ARG  10          2HG       ARG  10  -0.975  16.583   4.733
   92   2HG   ARG  10          1HG       ARG  10  -2.682  16.644   5.176
   93   1HD   ARG  10          2HD       ARG  10  -1.057  14.728   6.752
   94   2HD   ARG  10          1HD       ARG  10  -0.681  16.443   7.015
   95    HE   ARG  10           HE       ARG  10  -3.158  15.129   7.772
   96   1HH1  ARG  10          1HH2      ARG  10  -1.497  17.845   8.387
   97   2HH1  ARG  10          2HH2      ARG  10  -2.819  18.958   8.272
   98   1HH2  ARG  10          1HH1      ARG  10  -4.987  16.646   6.866
   99   2HH2  ARG  10          2HH1      ARG  10  -4.796  18.279   7.411
  100    H    GLY  11           H        GLY  11  -5.271  12.681   5.573
  101   1HA   GLY  11          2HA       GLY  11  -7.232  14.573   5.708
  102   2HA   GLY  11          1HA       GLY  11  -6.899  14.527   3.975
  103    H    PHE  12           H        PHE  12  -6.457  11.865   3.497
  104    HA   PHE  12           HA       PHE  12  -8.968  10.527   4.458
  105   1HB   PHE  12          2HB       PHE  12  -7.968  11.241   1.778
  106   2HB   PHE  12          1HB       PHE  12  -8.521   9.572   1.912
  107    HD1  PHE  12           1HD      PHE  12  -9.589  12.964   3.132
  108    HD2  PHE  12           2HD      PHE  12 -10.764   9.196   1.437
  109    HE1  PHE  12           1HE      PHE  12 -11.945  13.735   3.051
  110    HE2  PHE  12           2HE      PHE  12 -13.118   9.967   1.356
  111    HZ   PHE  12           HZ       PHE  12 -13.709  12.237   2.163
  112    H    CYS  13           H        CYS  13  -8.404   8.685   5.545
  113    HA   CYS  13           HA       CYS  13  -5.807   7.362   4.907
  114   1HB   CYS  13          2HB       CYS  13  -6.912   8.158   7.251
  115   2HB   CYS  13          1HB       CYS  13  -7.524   6.505   7.178
  116    H    TYR  14           H        TYR  14  -5.788   5.373   3.930
  117    HA   TYR  14           HA       TYR  14  -8.087   4.238   2.705
  118   1HB   TYR  14          2HB       TYR  14  -5.270   3.792   2.941
  119   2HB   TYR  14          1HB       TYR  14  -6.088   2.251   3.200
  120    HD1  TYR  14           1HD      TYR  14  -8.268   2.008   1.540
  121    HD2  TYR  14           2HD      TYR  14  -4.678   4.225   0.735
  122    HE1  TYR  14           1HE      TYR  14  -8.699   1.821  -0.895
  123    HE2  TYR  14           2HE      TYR  14  -5.110   4.039  -1.700
  124    HH   TYR  14           HH       TYR  14  -6.328   2.698  -3.252
  125    H    ARG  15           H        ARG  15  -9.792   3.310   3.765
  126    HA   ARG  15           HA       ARG  15  -9.210   1.448   6.029
  127   1HB   ARG  15          2HB       ARG  15 -10.388   4.066   6.139
  128   2HB   ARG  15          1HB       ARG  15 -11.617   2.877   6.569
  129   1HG   ARG  15          2HG       ARG  15 -10.689   2.793   8.621
  130   2HG   ARG  15          1HG       ARG  15  -9.296   2.007   7.877
  131   1HD   ARG  15          2HD       ARG  15  -8.159   4.112   7.580
  132   2HD   ARG  15          1HD       ARG  15  -9.614   5.022   8.030
  133    HE   ARG  15           HE       ARG  15  -7.979   3.375   9.903
  134   1HH1  ARG  15          1HH1      ARG  15  -9.082   6.419   9.619
  135   2HH1  ARG  15          2HH1      ARG  15  -9.990   6.473  11.092
  136   1HH2  ARG  15          1HH2      ARG  15  -9.789   3.057  11.650
  137   2HH2  ARG  15          2HH2      ARG  15 -10.390   4.570  12.243
  138    H    LYS  16           H        LYS  16  -9.668  -0.034   4.086
  139    HA   LYS  16           HA       LYS  16 -12.604  -0.580   3.972
  140   1HB   LYS  16          2HB       LYS  16 -10.650  -0.068   1.734
  141   2HB   LYS  16          1HB       LYS  16 -12.067  -1.082   1.456
  142   1HG   LYS  16          2HG       LYS  16 -13.014   0.950   0.950
  143   2HG   LYS  16          1HG       LYS  16 -13.271   0.977   2.695
  144   1HD   LYS  16          2HD       LYS  16 -11.815   2.681   2.987
  145   2HD   LYS  16          1HD       LYS  16 -10.610   1.932   1.938
  146   1HE   LYS  16          2HE       LYS  16 -11.133   3.745   0.599
  147   2HE   LYS  16          1HE       LYS  16 -12.441   2.667   0.072
  148   1HZ   LYS  16          1HZ       LYS  16 -13.511   4.626   0.758
  149   2HZ   LYS  16          2HZ       LYS  16 -12.538   4.785   2.141
  150   3HZ   LYS  16          3HZ       LYS  16 -13.707   3.555   2.058
  151    H    CYS  17           H        CYS  17 -12.503  -2.510   5.108
  152    HA   CYS  17           HA       CYS  17 -10.379  -4.481   4.537
  153   1HB   CYS  17          2HB       CYS  17 -12.816  -4.736   6.318
  154   2HB   CYS  17          1HB       CYS  17 -11.283  -5.595   6.462
  155    H    ARG  18           H        ARG  18 -10.670  -6.270   3.238
  156    HA   ARG  18           HA       ARG  18 -13.384  -7.236   2.584
  157   1HB   ARG  18          2HB       ARG  18 -11.542  -5.758   0.715
  158   2HB   ARG  18          1HB       ARG  18 -12.667  -6.957   0.077
  159   1HG   ARG  18          2HG       ARG  18 -14.330  -5.571   1.714
  160   2HG   ARG  18          1HG       ARG  18 -13.215  -4.288   1.244
  161   1HD   ARG  18          2HD       ARG  18 -13.572  -5.162  -1.185
  162   2HD   ARG  18          1HD       ARG  18 -15.014  -5.953  -0.517
  163    HE   ARG  18           HE       ARG  18 -15.207  -3.406   0.497
  164   1HH1  ARG  18          1HH1      ARG  18 -15.753  -5.006  -2.413
  165   2HH1  ARG  18          2HH1      ARG  18 -16.041  -3.575  -3.345
  166   1HH2  ARG  18          1HH2      ARG  18 -15.113  -1.411  -0.800
  167   2HH2  ARG  18          2HH2      ARG  18 -15.679  -1.541  -2.432
  168   1HN   NH2  19          1H        ARG  18 -13.293  -9.441   1.786
  169   2HN   NH2  19          2H        ARG  18 -11.841 -10.313   1.673
  Start of MODEL    5
    1   1H    ARG   1          1HT       ARG   1   2.462   8.163  -1.844
    2   2H    ARG   1          2HT       ARG   1   2.749   8.992  -3.298
    3   3H    ARG   1          3HT       ARG   1   4.052   8.390  -2.388
    4    HA   ARG   1           HA       ARG   1   2.112   6.896  -4.045
    5   1HB   ARG   1          2HB       ARG   1   5.043   7.452  -3.826
    6   2HB   ARG   1          1HB       ARG   1   4.552   5.897  -4.496
    7   1HG   ARG   1          2HG       ARG   1   2.900   7.390  -5.925
    8   2HG   ARG   1          1HG       ARG   1   4.076   8.656  -5.568
    9   1HD   ARG   1          2HD       ARG   1   5.813   6.771  -6.314
   10   2HD   ARG   1          1HD       ARG   1   4.406   6.183  -7.222
   11    HE   ARG   1           HE       ARG   1   5.878   8.594  -7.821
   12   1HH1  ARG   1          1HH1      ARG   1   3.808   6.791  -9.393
   13   2HH1  ARG   1          2HH1      ARG   1   2.664   8.011  -9.838
   14   1HH2  ARG   1          1HH2      ARG   1   3.934  10.376  -7.642
   15   2HH2  ARG   1          2HH2      ARG   1   2.735  10.042  -8.847
   16    H    ARG   2           H        ARG   2   1.062   5.852  -2.166
   17    HA   ARG   2           HA       ARG   2   2.350   3.375  -1.396
   18   1HB   ARG   2          2HB       ARG   2   3.596   5.001  -0.013
   19   2HB   ARG   2          1HB       ARG   2   2.076   5.578   0.671
   20   1HG   ARG   2          2HG       ARG   2   1.839   3.757   2.025
   21   2HG   ARG   2          1HG       ARG   2   2.501   2.652   0.818
   22   1HD   ARG   2          2HD       ARG   2   4.612   4.407   1.613
   23   2HD   ARG   2          1HD       ARG   2   3.846   3.772   3.083
   24    HE   ARG   2           HE       ARG   2   4.806   1.699   2.512
   25   1HH1  ARG   2          1HH1      ARG   2   6.279   3.200   0.219
   26   2HH1  ARG   2          2HH1      ARG   2   5.893   2.164  -1.114
   27   1HH2  ARG   2          1HH2      ARG   2   3.360   0.499   0.569
   28   2HH2  ARG   2          2HH2      ARG   2   4.240   0.635  -0.916
   29    H    TRP   3           H        TRP   3   0.511   2.160  -1.598
   30    HA   TRP   3           HA       TRP   3  -1.918   3.042  -0.071
   31   1HB   TRP   3          2HB       TRP   3  -2.072   1.511  -2.661
   32   2HB   TRP   3          1HB       TRP   3  -3.268   2.589  -1.940
   33    HD1  TRP   3           HD       TRP   3  -3.202   5.077  -2.624
   34    HE1  TRP   3           1HE      TRP   3  -1.656   6.500  -4.120
   35    HE3  TRP   3           3HE      TRP   3   0.540   1.712  -3.475
   36    HZ2  TRP   3           2HZ      TRP   3   0.842   6.239  -5.490
   37    HZ3  TRP   3           3HZ      TRP   3   2.488   2.322  -4.879
   38    HH2  TRP   3           HH       TRP   3   2.643   4.581  -5.889
   39    H    CYS   4           H        CYS   4  -1.588   1.580   1.650
   40    HA   CYS   4           HA       CYS   4  -2.208  -1.241   1.067
   41   1HB   CYS   4          2HB       CYS   4   0.479  -0.194   1.876
   42   2HB   CYS   4          1HB       CYS   4  -0.042  -1.745   2.532
   43    H    PHE   5           H        PHE   5  -3.733  -1.655   2.599
   44    HA   PHE   5           HA       PHE   5  -4.841  -1.683   4.686
   45   1HB   PHE   5          2HB       PHE   5  -1.900  -1.470   5.282
   46   2HB   PHE   5          1HB       PHE   5  -3.058  -1.426   6.611
   47    HD1  PHE   5           1HD      PHE   5  -3.829  -3.271   3.532
   48    HD2  PHE   5           2HD      PHE   5  -2.249  -3.572   7.515
   49    HE1  PHE   5           1HE      PHE   5  -4.046  -5.738   3.432
   50    HE2  PHE   5           2HE      PHE   5  -2.465  -6.040   7.414
   51    HZ   PHE   5           HZ       PHE   5  -3.364  -7.124   5.372
   52    H    ARG   6           H        ARG   6  -4.434  -0.179   6.996
   53    HA   ARG   6           HA       ARG   6  -5.688   2.268   6.525
   54   1HB   ARG   6          2HB       ARG   6  -5.461   1.302   8.727
   55   2HB   ARG   6          1HB       ARG   6  -3.701   1.396   8.642
   56   1HG   ARG   6          2HG       ARG   6  -3.661   3.645   9.094
   57   2HG   ARG   6          1HG       ARG   6  -5.184   3.944   8.256
   58   1HD   ARG   6          2HD       ARG   6  -6.282   2.621  10.209
   59   2HD   ARG   6          1HD       ARG   6  -4.758   2.928  11.066
   60    HE   ARG   6           HE       ARG   6  -6.740   4.956  10.327
   61   1HH1  ARG   6          1HH2      ARG   6  -3.408   4.267  10.909
   62   2HH1  ARG   6          2HH2      ARG   6  -3.047   5.857  11.491
   63   1HH2  ARG   6          1HH1      ARG   6  -6.297   7.012  11.154
   64   2HH2  ARG   6          2HH1      ARG   6  -4.680   7.409  11.630
   65    H    VAL   7           H        VAL   7  -4.888   3.644   4.924
   66    HA   VAL   7           HA       VAL   7  -2.049   4.568   5.240
   67    HB   VAL   7           HB       VAL   7  -2.552   3.209   3.203
   68   1HG1  VAL   7          1HG1      VAL   7  -4.235   5.507   2.228
   69   2HG1  VAL   7          2HG1      VAL   7  -4.969   4.182   3.133
   70   3HG1  VAL   7          3HG1      VAL   7  -4.146   3.859   1.608
   71   1HG2  VAL   7          1HG2      VAL   7  -1.465   5.911   3.287
   72   2HG2  VAL   7          2HG2      VAL   7  -2.089   5.515   1.686
   73   3HG2  VAL   7          3HG2      VAL   7  -0.860   4.493   2.430
   74    H    CYS   8           H        CYS   8  -2.450   6.434   6.467
   75    HA   CYS   8           HA       CYS   8  -4.613   8.289   5.699
   76   1HB   CYS   8          2HB       CYS   8  -2.546   8.075   7.880
   77   2HB   CYS   8          1HB       CYS   8  -3.483   9.556   7.676
   78    H    TYR   9           H        TYR   9  -4.239   9.664   4.022
   79    HA   TYR   9           HA       TYR   9  -1.526  10.932   3.821
   80   1HB   TYR   9          2HB       TYR   9  -2.923   9.207   2.022
   81   2HB   TYR   9          1HB       TYR   9  -2.860  10.809   1.288
   82    HD1  TYR   9           1HD      TYR   9  -0.714  11.891   0.790
   83    HD2  TYR   9           2HD      TYR   9  -0.890   7.947   2.479
   84    HE1  TYR   9           1HE      TYR   9   1.674  11.543   0.221
   85    HE2  TYR   9           2HE      TYR   9   1.499   7.597   1.911
   86    HH   TYR   9           HH       TYR   9   3.600   9.682   1.445
   87    H    ARG  10           H        ARG  10  -2.088  12.938   4.714
   88    HA   ARG  10           HA       ARG  10  -2.978  15.115   4.707
   89   1HB   ARG  10          2HB       ARG  10  -4.183  14.330   2.045
   90   2HB   ARG  10          1HB       ARG  10  -3.660  15.931   2.567
   91   1HG   ARG  10          2HG       ARG  10  -1.310  14.853   2.812
   92   2HG   ARG  10          1HG       ARG  10  -1.957  13.560   1.802
   93   1HD   ARG  10          2HD       ARG  10  -2.725  15.511   0.226
   94   2HD   ARG  10          1HD       ARG  10  -1.499  16.453   1.097
   95    HE   ARG  10           HE       ARG  10  -0.693  13.788   0.070
   96   1HH1  ARG  10          1HH1      ARG  10  -1.204  16.733  -1.358
   97   2HH1  ARG  10          2HH1      ARG  10   0.440  17.014  -1.826
   98   1HH2  ARG  10          1HH2      ARG  10   1.695  14.351   0.005
   99   2HH2  ARG  10          2HH2      ARG  10   2.081  15.665  -1.054
  100    H    GLY  11           H        GLY  11  -4.504  12.924   5.903
  101   1HA   GLY  11          2HA       GLY  11  -6.600  13.039   7.060
  102   2HA   GLY  11          1HA       GLY  11  -7.156  14.227   5.882
  103    H    PHE  12           H        PHE  12  -5.867  12.067   3.900
  104    HA   PHE  12           HA       PHE  12  -8.468  10.690   3.485
  105   1HB   PHE  12          2HB       PHE  12  -5.951  11.137   1.865
  106   2HB   PHE  12          1HB       PHE  12  -7.246  10.076   1.308
  107    HD1  PHE  12           1HD      PHE  12  -6.810  13.509   2.767
  108    HD2  PHE  12           2HD      PHE  12  -8.919  11.009  -0.017
  109    HE1  PHE  12           1HE      PHE  12  -8.079  15.481   1.958
  110    HE2  PHE  12           2HE      PHE  12 -10.188  12.980  -0.826
  111    HZ   PHE  12           HZ       PHE  12  -9.767  15.216   0.162
  112    H    CYS  13           H        CYS  13  -8.286   9.108   5.193
  113    HA   CYS  13           HA       CYS  13  -6.004   7.220   5.105
  114   1HB   CYS  13          2HB       CYS  13  -8.454   7.446   6.881
  115   2HB   CYS  13          1HB       CYS  13  -7.097   6.354   7.159
  116    H    TYR  14           H        TYR  14  -6.121   5.313   4.032
  117    HA   TYR  14           HA       TYR  14  -8.832   4.213   3.367
  118   1HB   TYR  14          2HB       TYR  14  -6.831   5.326   1.665
  119   2HB   TYR  14          1HB       TYR  14  -6.885   3.590   1.352
  120    HD1  TYR  14           1HD      TYR  14  -8.070   3.377  -0.675
  121    HD2  TYR  14           2HD      TYR  14  -9.625   5.883   2.447
  122    HE1  TYR  14           1HE      TYR  14 -10.172   3.668  -1.957
  123    HE2  TYR  14           2HE      TYR  14 -11.728   6.176   1.164
  124    HH   TYR  14           HH       TYR  14 -12.990   4.986  -0.588
  125    H    ARG  15           H        ARG  15  -8.586   1.827   2.656
  126    HA   ARG  15           HA       ARG  15  -6.323   0.482   4.084
  127   1HB   ARG  15          2HB       ARG  15  -9.239   0.440   4.583
  128   2HB   ARG  15          1HB       ARG  15  -8.472  -1.149   4.561
  129   1HG   ARG  15          2HG       ARG  15  -7.809  -0.752   6.679
  130   2HG   ARG  15          1HG       ARG  15  -6.708   0.460   6.021
  131   1HD   ARG  15          2HD       ARG  15  -7.880   1.973   7.256
  132   2HD   ARG  15          1HD       ARG  15  -9.183   1.763   6.069
  133    HE   ARG  15           HE       ARG  15  -9.134  -0.342   8.091
  134   1HH1  ARG  15          1HH1      ARG  15 -11.025   1.930   6.575
  135   2HH1  ARG  15          2HH1      ARG  15 -12.012   2.308   7.946
  136   1HH2  ARG  15          1HH2      ARG  15 -10.050   0.523  10.182
  137   2HH2  ARG  15          2HH2      ARG  15 -11.461   1.511   9.988
  138    H    LYS  16           H        LYS  16  -5.403  -0.069   2.014
  139    HA   LYS  16           HA       LYS  16  -6.531  -2.466   0.787
  140   1HB   LYS  16          2HB       LYS  16  -7.960  -0.820  -0.253
  141   2HB   LYS  16          1HB       LYS  16  -6.583   0.222  -0.615
  142   1HG   LYS  16          2HG       LYS  16  -5.802  -1.175  -2.320
  143   2HG   LYS  16          1HG       LYS  16  -6.651  -2.586  -1.685
  144   1HD   LYS  16          2HD       LYS  16  -8.783  -1.044  -2.181
  145   2HD   LYS  16          1HD       LYS  16  -7.683  -0.355  -3.376
  146   1HE   LYS  16          2HE       LYS  16  -8.789  -2.142  -4.519
  147   2HE   LYS  16          1HE       LYS  16  -7.207  -2.812  -4.070
  148   1HZ   LYS  16          1HZ       LYS  16  -8.328  -3.484  -1.915
  149   2HZ   LYS  16          2HZ       LYS  16  -8.760  -4.373  -3.297
  150   3HZ   LYS  16          3HZ       LYS  16  -9.804  -3.177  -2.693
  151    H    CYS  17           H        CYS  17  -4.794  -3.642   0.080
  152    HA   CYS  17           HA       CYS  17  -2.328  -2.166  -0.776
  153   1HB   CYS  17          2HB       CYS  17  -2.268  -3.041   1.587
  154   2HB   CYS  17          1HB       CYS  17  -2.468  -4.667   0.936
  155    H    ARG  18           H        ARG  18  -1.119  -3.236  -2.420
  156    HA   ARG  18           HA       ARG  18  -2.364  -5.713  -3.564
  157   1HB   ARG  18          2HB       ARG  18  -3.124  -3.872  -4.890
  158   2HB   ARG  18          1HB       ARG  18  -1.529  -3.119  -4.880
  159   1HG   ARG  18          2HG       ARG  18  -0.660  -5.139  -6.122
  160   2HG   ARG  18          1HG       ARG  18  -2.331  -5.681  -6.283
  161   1HD   ARG  18          2HD       ARG  18  -2.883  -3.518  -7.421
  162   2HD   ARG  18          1HD       ARG  18  -1.162  -3.091  -7.361
  163    HE   ARG  18           HE       ARG  18  -0.838  -4.589  -9.150
  164   1HH1  ARG  18          1HH2      ARG  18  -3.959  -4.994  -7.843
  165   2HH1  ARG  18          2HH2      ARG  18  -4.239  -6.530  -8.593
  166   1HH2  ARG  18          1HH1      ARG  18  -1.033  -6.777  -9.894
  167   2HH2  ARG  18          2HH1      ARG  18  -2.582  -7.540  -9.753
  168   1HN   NH2  19          1H        ARG  18  -0.772  -7.002  -4.885
  169   2HN   NH2  19          2H        ARG  18   0.891  -6.860  -4.575
  Start of MODEL    6
    1   1H    ARG   1          1HT       ARG   1  -0.396  -3.472  -3.017
    2   2H    ARG   1          2HT       ARG   1   0.477  -2.838  -1.704
    3   3H    ARG   1          3HT       ARG   1  -0.222  -1.794  -2.848
    4    HA   ARG   1           HA       ARG   1  -1.374  -2.322  -0.518
    5   1HB   ARG   1          2HB       ARG   1  -2.095  -1.425  -3.219
    6   2HB   ARG   1          1HB       ARG   1  -3.484  -1.982  -2.285
    7   1HG   ARG   1          2HG       ARG   1  -3.423   0.184  -1.520
    8   2HG   ARG   1          1HG       ARG   1  -2.269  -0.518  -0.385
    9   1HD   ARG   1          2HD       ARG   1  -0.392   0.185  -1.787
   10   2HD   ARG   1          1HD       ARG   1  -1.512   0.799  -3.019
   11    HE   ARG   1           HE       ARG   1  -2.159   1.939  -0.461
   12   1HH1  ARG   1          1HH1      ARG   1  -1.229   2.815  -3.475
   13   2HH1  ARG   1          2HH1      ARG   1  -0.188   4.119  -3.011
   14   1HH2  ARG   1          1HH2      ARG   1  -0.215   3.292   0.357
   15   2HH2  ARG   1          2HH2      ARG   1   0.387   4.388  -0.841
   16    H    ARG   2           H        ARG   2  -1.241  -4.601   0.075
   17    HA   ARG   2           HA       ARG   2  -3.435  -6.237  -1.136
   18   1HB   ARG   2          2HB       ARG   2  -0.505  -6.771  -0.888
   19   2HB   ARG   2          1HB       ARG   2  -1.601  -8.132  -0.649
   20   1HG   ARG   2          2HG       ARG   2  -2.711  -7.501  -2.833
   21   2HG   ARG   2          1HG       ARG   2  -1.404  -6.344  -3.086
   22   1HD   ARG   2          2HD       ARG   2  -0.893  -9.285  -2.546
   23   2HD   ARG   2          1HD       ARG   2  -1.028  -8.611  -4.182
   24    HE   ARG   2           HE       ARG   2   1.019  -7.738  -2.178
   25   1HH1  ARG   2          1HH1      ARG   2  -0.118  -6.279  -4.810
   26   2HH1  ARG   2          2HH1      ARG   2   1.274  -6.477  -5.822
   27   1HH2  ARG   2          1HH2      ARG   2   2.800  -8.778  -3.724
   28   2HH2  ARG   2          2HH2      ARG   2   2.926  -7.892  -5.207
   29    H    TRP   3           H        TRP   3  -4.789  -6.866   0.495
   30    HA   TRP   3           HA       TRP   3  -5.537  -7.497   2.648
   31   1HB   TRP   3          2HB       TRP   3  -2.625  -8.175   3.121
   32   2HB   TRP   3          1HB       TRP   3  -4.043  -8.964   3.808
   33    HD1  TRP   3           HD       TRP   3  -1.592 -10.050   1.700
   34    HE1  TRP   3           1HE      TRP   3  -2.409 -11.486  -0.278
   35    HE3  TRP   3           3HE      TRP   3  -6.536  -8.773   1.666
   36    HZ2  TRP   3           2HZ      TRP   3  -4.838 -12.024  -1.688
   37    HZ3  TRP   3           3HZ      TRP   3  -8.078  -9.760  -0.004
   38    HH2  TRP   3           HH       TRP   3  -7.236 -11.383  -1.679
   39    H    CYS   4           H        CYS   4  -6.079  -5.808   3.974
   40    HA   CYS   4           HA       CYS   4  -5.827  -3.984   5.491
   41   1HB   CYS   4          2HB       CYS   4  -3.161  -5.407   5.808
   42   2HB   CYS   4          1HB       CYS   4  -3.806  -4.208   6.930
   43    H    PHE   5           H        PHE   5  -5.655  -2.009   4.506
   44    HA   PHE   5           HA       PHE   5  -3.304  -1.387   2.807
   45   1HB   PHE   5          2HB       PHE   5  -5.823   0.171   3.476
   46   2HB   PHE   5          1HB       PHE   5  -4.685   0.549   2.183
   47    HD1  PHE   5           1HD      PHE   5  -7.566  -1.394   3.137
   48    HD2  PHE   5           2HD      PHE   5  -4.301  -1.197   0.353
   49    HE1  PHE   5           1HE      PHE   5  -8.762  -2.953   1.624
   50    HE2  PHE   5           2HE      PHE   5  -5.497  -2.756  -1.160
   51    HZ   PHE   5           HZ       PHE   5  -7.728  -3.634  -0.525
   52    H    ARG   6           H        ARG   6  -5.093   0.571   5.214
   53    HA   ARG   6           HA       ARG   6  -4.284   1.983   6.931
   54   1HB   ARG   6          2HB       ARG   6  -3.045  -0.377   7.192
   55   2HB   ARG   6          1HB       ARG   6  -1.635   0.603   6.787
   56   1HG   ARG   6          2HG       ARG   6  -2.450   2.234   8.597
   57   2HG   ARG   6          1HG       ARG   6  -3.529   0.938   9.117
   58   1HD   ARG   6          2HD       ARG   6  -0.991  -0.271   8.782
   59   2HD   ARG   6          1HD       ARG   6  -0.708   1.243   9.663
   60    HE   ARG   6           HE       ARG   6  -2.863  -0.648  10.519
   61   1HH1  ARG   6          1HH2      ARG   6  -1.763   2.160  11.607
   62   2HH1  ARG   6          2HH2      ARG   6  -1.075   1.601  13.094
   63   1HH2  ARG   6          1HH1      ARG   6  -1.256  -1.751  12.226
   64   2HH2  ARG   6          2HH1      ARG   6  -0.788  -0.613  13.446
   65    H    VAL   7           H        VAL   7  -4.261   3.724   5.254
   66    HA   VAL   7           HA       VAL   7  -1.504   4.763   4.860
   67    HB   VAL   7           HB       VAL   7  -3.533   4.336   2.641
   68   1HG1  VAL   7          1HG1      VAL   7  -1.641   6.299   2.778
   69   2HG1  VAL   7          2HG1      VAL   7  -2.190   5.568   1.268
   70   3HG1  VAL   7          3HG1      VAL   7  -0.711   4.994   2.040
   71   1HG2  VAL   7          1HG2      VAL   7  -2.519   2.226   3.307
   72   2HG2  VAL   7          2HG2      VAL   7  -0.913   2.955   3.300
   73   3HG2  VAL   7          3HG2      VAL   7  -1.792   2.742   1.787
   74    H    CYS   8           H        CYS   8  -1.768   6.714   5.911
   75    HA   CYS   8           HA       CYS   8  -4.302   8.237   5.533
   76   1HB   CYS   8          2HB       CYS   8  -2.031   8.174   7.495
   77   2HB   CYS   8          1HB       CYS   8  -2.989   9.648   7.358
   78    H    TYR   9           H        TYR   9  -4.248   9.604   3.794
   79    HA   TYR   9           HA       TYR   9  -1.669  10.775   2.902
   80   1HB   TYR   9          2HB       TYR   9  -4.274  10.058   1.793
   81   2HB   TYR   9          1HB       TYR   9  -3.767  11.670   1.285
   82    HD1  TYR   9           1HD      TYR   9  -2.156   8.318   1.847
   83    HD2  TYR   9           2HD      TYR   9  -2.556  11.760  -0.692
   84    HE1  TYR   9           1HE      TYR   9  -0.566   7.312   0.232
   85    HE2  TYR   9           2HE      TYR   9  -0.967  10.753  -2.307
   86    HH   TYR   9           HH       TYR   9  -0.203   7.645  -2.439
   87    H    ARG  10           H        ARG  10  -2.394  11.830   5.375
   88    HA   ARG  10           HA       ARG  10  -2.944  13.841   6.480
   89   1HB   ARG  10          2HB       ARG  10  -1.737  14.486   3.813
   90   2HB   ARG  10          1HB       ARG  10  -2.325  15.815   4.812
   91   1HG   ARG  10          2HG       ARG  10  -0.485  13.683   5.908
   92   2HG   ARG  10          1HG       ARG  10   0.132  15.146   5.139
   93   1HD   ARG  10          2HD       ARG  10  -1.845  15.200   7.443
   94   2HD   ARG  10          1HD       ARG  10  -0.088  15.333   7.656
   95    HE   ARG  10           HE       ARG  10  -1.828  17.374   6.458
   96   1HH1  ARG  10          1HH1      ARG  10   0.936  17.132   8.138
   97   2HH1  ARG  10          2HH1      ARG  10   1.921  18.115   7.107
   98   1HH2  ARG  10          1HH2      ARG  10  -0.389  18.185   4.522
   99   2HH2  ARG  10          2HH2      ARG  10   1.171  18.712   5.060
  100    H    GLY  11           H        GLY  11  -5.254  12.619   5.491
  101   1HA   GLY  11          2HA       GLY  11  -7.224  14.544   5.550
  102   2HA   GLY  11          1HA       GLY  11  -6.781  14.481   3.843
  103    H    PHE  12           H        PHE  12  -6.279  11.774   3.499
  104    HA   PHE  12           HA       PHE  12  -8.907  10.507   4.207
  105   1HB   PHE  12          2HB       PHE  12  -8.483  11.394   1.812
  106   2HB   PHE  12          1HB       PHE  12  -7.347  10.054   1.658
  107    HD1  PHE  12           1HD      PHE  12 -10.649  10.292   3.412
  108    HD2  PHE  12           2HD      PHE  12  -8.353   8.438   0.291
  109    HE1  PHE  12           1HE      PHE  12 -12.532   8.746   2.945
  110    HE2  PHE  12           2HE      PHE  12 -10.236   6.893  -0.177
  111    HZ   PHE  12           HZ       PHE  12 -12.325   7.047   1.149
  112    H    CYS  13           H        CYS  13  -8.616   8.631   5.339
  113    HA   CYS  13           HA       CYS  13  -5.969   7.234   5.118
  114   1HB   CYS  13          2HB       CYS  13  -8.035   7.466   7.326
  115   2HB   CYS  13          1HB       CYS  13  -6.638   6.393   7.416
  116    H    TYR  14           H        TYR  14  -5.962   5.017   4.764
  117    HA   TYR  14           HA       TYR  14  -8.593   3.814   3.988
  118   1HB   TYR  14          2HB       TYR  14  -6.170   4.168   2.638
  119   2HB   TYR  14          1HB       TYR  14  -6.171   2.463   3.090
  120    HD1  TYR  14           1HD      TYR  14  -8.075   0.993   2.422
  121    HD2  TYR  14           2HD      TYR  14  -7.687   5.026   0.994
  122    HE1  TYR  14           1HE      TYR  14  -9.700   0.506   0.611
  123    HE2  TYR  14           2HE      TYR  14  -9.312   4.539  -0.818
  124    HH   TYR  14           HH       TYR  14 -10.020   2.001  -2.021
  125    H    ARG  15           H        ARG  15  -9.120   1.757   4.806
  126    HA   ARG  15           HA       ARG  15  -7.199   0.197   6.373
  127   1HB   ARG  15          2HB       ARG  15  -8.248   0.551   8.506
  128   2HB   ARG  15          1HB       ARG  15  -7.993   2.151   7.810
  129   1HG   ARG  15          2HG       ARG  15 -10.590   0.621   7.524
  130   2HG   ARG  15          1HG       ARG  15 -10.291   1.779   8.818
  131   1HD   ARG  15          2HD       ARG  15 -11.044   3.366   7.373
  132   2HD   ARG  15          1HD       ARG  15  -9.514   3.146   6.502
  133    HE   ARG  15           HE       ARG  15 -11.247   1.044   5.716
  134   1HH1  ARG  15          1HH1      ARG  15 -12.639   3.957   5.997
  135   2HH1  ARG  15          2HH1      ARG  15 -12.778   4.313   4.307
  136   1HH2  ARG  15          1HH2      ARG  15 -10.707   1.711   3.320
  137   2HH2  ARG  15          2HH2      ARG  15 -11.683   3.042   2.791
  138    H    LYS  16           H        LYS  16  -7.862  -1.943   6.398
  139    HA   LYS  16           HA       LYS  16 -10.503  -2.942   6.515
  140   1HB   LYS  16          2HB       LYS  16  -9.831  -1.635   4.055
  141   2HB   LYS  16          1HB       LYS  16 -10.030  -3.356   3.722
  142   1HG   LYS  16          2HG       LYS  16 -12.162  -3.014   5.310
  143   2HG   LYS  16          1HG       LYS  16 -12.032  -1.368   4.689
  144   1HD   LYS  16          2HD       LYS  16 -11.687  -3.345   2.576
  145   2HD   LYS  16          1HD       LYS  16 -13.241  -3.524   3.391
  146   1HE   LYS  16          2HE       LYS  16 -12.846  -0.733   3.045
  147   2HE   LYS  16          1HE       LYS  16 -12.451  -1.503   1.495
  148   1HZ   LYS  16          1HZ       LYS  16 -14.906  -1.030   1.988
  149   2HZ   LYS  16          2HZ       LYS  16 -14.811  -2.343   3.062
  150   3HZ   LYS  16          3HZ       LYS  16 -14.500  -2.570   1.407
  151    H    CYS  17           H        CYS  17 -10.212  -5.082   6.994
  152    HA   CYS  17           HA       CYS  17  -7.982  -6.566   5.658
  153   1HB   CYS  17          2HB       CYS  17  -8.622  -6.338   8.614
  154   2HB   CYS  17          1HB       CYS  17  -7.498  -7.523   7.951
  155    H    ARG  18           H        ARG  18  -8.454  -8.773   5.313
  156    HA   ARG  18           HA       ARG  18 -10.911  -9.938   6.492
  157   1HB   ARG  18          2HB       ARG  18 -11.804 -10.408   4.211
  158   2HB   ARG  18          1HB       ARG  18 -11.668  -8.677   4.523
  159   1HG   ARG  18          2HG       ARG  18  -9.183  -9.700   3.448
  160   2HG   ARG  18          1HG       ARG  18 -10.526 -10.102   2.378
  161   1HD   ARG  18          2HD       ARG  18 -11.194  -7.550   2.890
  162   2HD   ARG  18          1HD       ARG  18  -9.437  -7.423   3.115
  163    HE   ARG  18           HE       ARG  18  -9.604  -8.885   0.811
  164   1HH1  ARG  18          1HH1      ARG  18 -10.424  -5.749   1.881
  165   2HH1  ARG  18          2HH1      ARG  18 -10.888  -5.173   0.315
  166   1HH2  ARG  18          1HH2      ARG  18 -10.506  -8.259  -1.223
  167   2HH2  ARG  18          2HH2      ARG  18 -10.935  -6.596  -1.443
  168   1HN   NH2  19          1H        ARG  18  -8.390 -10.902   7.077
  169   2HN   NH2  19          2H        ARG  18  -8.064 -12.331   6.221
  Start of MODEL    7
    1   1H    ARG   1          1HT       ARG   1  -9.553 -10.655   7.901
    2   2H    ARG   1          2HT       ARG   1  -9.993 -10.277   9.498
    3   3H    ARG   1          3HT       ARG   1  -8.756 -11.402   9.199
    4    HA   ARG   1           HA       ARG   1  -8.502  -8.619   8.233
    5   1HB   ARG   1          2HB       ARG   1  -9.177  -8.887  10.718
    6   2HB   ARG   1          1HB       ARG   1  -7.584  -9.614  10.934
    7   1HG   ARG   1          2HG       ARG   1  -6.546  -7.574   9.963
    8   2HG   ARG   1          1HG       ARG   1  -8.147  -6.843   9.836
    9   1HD   ARG   1          2HD       ARG   1  -8.309  -7.420  12.404
   10   2HD   ARG   1          1HD       ARG   1  -6.537  -7.444  12.303
   11    HE   ARG   1           HE       ARG   1  -6.837  -5.140  11.138
   12   1HH1  ARG   1          1HH1      ARG   1  -6.842  -4.867  14.075
   13   2HH1  ARG   1          2HH1      ARG   1  -8.328  -4.035  14.386
   14   1HH2  ARG   1          1HH2      ARG   1  -9.689  -4.748  11.277
   15   2HH2  ARG   1          2HH2      ARG   1  -9.939  -3.967  12.802
   16    H    ARG   2           H        ARG   2  -6.823  -8.879   6.802
   17    HA   ARG   2           HA       ARG   2  -4.257  -9.894   7.681
   18   1HB   ARG   2          2HB       ARG   2  -4.236 -11.919   6.292
   19   2HB   ARG   2          1HB       ARG   2  -5.589 -11.989   7.421
   20   1HG   ARG   2          2HG       ARG   2  -5.907 -10.890   4.627
   21   2HG   ARG   2          1HG       ARG   2  -6.091 -12.609   4.976
   22   1HD   ARG   2          2HD       ARG   2  -7.661 -11.569   6.937
   23   2HD   ARG   2          1HD       ARG   2  -7.885 -10.349   5.667
   24    HE   ARG   2           HE       ARG   2  -8.338 -12.369   4.128
   25   1HH1  ARG   2          1HH1      ARG   2 -10.491 -11.563   6.240
   26   2HH1  ARG   2          2HH1      ARG   2 -11.003 -13.136   6.756
   27   1HH2  ARG   2          1HH2      ARG   2  -8.292 -14.771   5.342
   28   2HH2  ARG   2          2HH2      ARG   2  -9.758 -14.952   6.247
   29    H    TRP   3           H        TRP   3  -2.638  -9.253   6.215
   30    HA   TRP   3           HA       TRP   3  -1.709  -8.060   4.396
   31   1HB   TRP   3          2HB       TRP   3  -4.170  -8.993   2.909
   32   2HB   TRP   3          1HB       TRP   3  -2.543  -8.756   2.274
   33    HD1  TRP   3           HD       TRP   3  -4.252 -11.531   2.193
   34    HE1  TRP   3           1HE      TRP   3  -3.152 -13.648   3.167
   35    HE3  TRP   3           3HE      TRP   3  -0.712  -9.392   5.197
   36    HZ2  TRP   3           2HZ      TRP   3  -1.052 -14.344   4.975
   37    HZ3  TRP   3           3HZ      TRP   3   0.823 -10.807   6.530
   38    HH2  TRP   3           HH       TRP   3   0.657 -13.278   6.425
   39    H    CYS   4           H        CYS   4  -2.149  -5.975   5.404
   40    HA   CYS   4           HA       CYS   4  -3.675  -4.157   3.802
   41   1HB   CYS   4          2HB       CYS   4  -5.190  -5.773   5.536
   42   2HB   CYS   4          1HB       CYS   4  -5.105  -4.203   6.333
   43    H    PHE   5           H        PHE   5  -2.900  -2.126   4.259
   44    HA   PHE   5           HA       PHE   5  -1.754  -1.622   6.982
   45   1HB   PHE   5          2HB       PHE   5  -0.496  -0.760   4.366
   46   2HB   PHE   5          1HB       PHE   5   0.239  -0.756   5.970
   47    HD1  PHE   5           1HD      PHE   5  -0.105  -3.243   7.165
   48    HD2  PHE   5           2HD      PHE   5   0.320  -2.427   2.969
   49    HE1  PHE   5           1HE      PHE   5   0.712  -5.556   6.797
   50    HE2  PHE   5           2HE      PHE   5   1.138  -4.739   2.602
   51    HZ   PHE   5           HZ       PHE   5   1.334  -6.304   4.516
   52    H    ARG   6           H        ARG   6  -3.037   0.020   7.757
   53    HA   ARG   6           HA       ARG   6  -4.637   1.803   6.267
   54   1HB   ARG   6          2HB       ARG   6  -4.661   1.302   8.740
   55   2HB   ARG   6          1HB       ARG   6  -3.236   2.328   8.907
   56   1HG   ARG   6          2HG       ARG   6  -4.520   4.174   8.924
   57   2HG   ARG   6          1HG       ARG   6  -5.237   3.723   7.377
   58   1HD   ARG   6          2HD       ARG   6  -6.503   1.972   9.065
   59   2HD   ARG   6          1HD       ARG   6  -6.326   3.402  10.103
   60    HE   ARG   6           HE       ARG   6  -7.139   4.376   7.599
   61   1HH1  ARG   6          1HH2      ARG   6  -8.340   3.104  10.497
   62   2HH1  ARG   6          2HH2      ARG   6  -9.988   3.024   9.969
   63   1HH2  ARG   6          1HH1      ARG   6  -9.259   3.897   6.693
   64   2HH2  ARG   6          2HH1      ARG   6 -10.508   3.473   7.816
   65    H    VAL   7           H        VAL   7  -4.205   3.730   5.208
   66    HA   VAL   7           HA       VAL   7  -1.467   4.910   5.499
   67    HB   VAL   7           HB       VAL   7  -2.991   4.042   3.039
   68   1HG1  VAL   7          1HG1      VAL   7  -2.380   6.166   2.301
   69   2HG1  VAL   7          2HG1      VAL   7  -0.941   5.235   1.882
   70   3HG1  VAL   7          3HG1      VAL   7  -0.955   6.227   3.339
   71   1HG2  VAL   7          1HG2      VAL   7  -0.178   3.622   4.091
   72   2HG2  VAL   7          2HG2      VAL   7  -0.729   3.073   2.508
   73   3HG2  VAL   7          3HG2      VAL   7  -1.455   2.412   3.973
   74    H    CYS   8           H        CYS   8  -2.039   6.839   6.491
   75    HA   CYS   8           HA       CYS   8  -4.476   8.294   5.716
   76   1HB   CYS   8          2HB       CYS   8  -2.272   8.531   7.731
   77   2HB   CYS   8          1HB       CYS   8  -3.224   9.971   7.372
   78    H    TYR   9           H        TYR   9  -4.462   9.529   3.887
   79    HA   TYR   9           HA       TYR   9  -1.911  10.568   2.803
   80   1HB   TYR   9          2HB       TYR   9  -4.421   9.665   1.828
   81   2HB   TYR   9          1HB       TYR   9  -4.288  11.367   1.381
   82    HD1  TYR   9           1HD      TYR   9  -1.302  11.586   1.146
   83    HD2  TYR   9           2HD      TYR   9  -4.030   8.578  -0.252
   84    HE1  TYR   9           1HE      TYR   9   0.285  10.987  -0.663
   85    HE2  TYR   9           2HE      TYR   9  -2.444   7.980  -2.063
   86    HH   TYR   9           HH       TYR   9   0.743   8.875  -2.082
   87    H    ARG  10           H        ARG  10  -2.372  11.850   5.188
   88    HA   ARG  10           HA       ARG  10  -2.696  13.974   6.155
   89   1HB   ARG  10          2HB       ARG  10  -1.952  14.349   3.279
   90   2HB   ARG  10          1HB       ARG  10  -2.418  15.776   4.205
   91   1HG   ARG  10          2HG       ARG  10  -0.359  13.801   5.209
   92   2HG   ARG  10          1HG       ARG  10   0.075  15.197   4.221
   93   1HD   ARG  10          2HD       ARG  10  -1.415  15.325   6.871
   94   2HD   ARG  10          1HD       ARG  10   0.290  15.752   6.621
   95    HE   ARG  10           HE       ARG  10  -0.616  17.439   4.899
   96   1HH1  ARG  10          1HH1      ARG  10  -1.675  16.975   8.058
   97   2HH1  ARG  10          2HH1      ARG  10  -3.026  18.053   7.947
   98   1HH2  ARG  10          1HH2      ARG  10  -2.698  18.536   4.529
   99   2HH2  ARG  10          2HH2      ARG  10  -3.606  18.937   5.948
  100    H    GLY  11           H        GLY  11  -5.124  12.653   5.661
  101   1HA   GLY  11          2HA       GLY  11  -7.159  14.344   6.029
  102   2HA   GLY  11          1HA       GLY  11  -6.893  14.603   4.303
  103    H    PHE  12           H        PHE  12  -6.180  11.910   3.638
  104    HA   PHE  12           HA       PHE  12  -8.785  10.505   4.145
  105   1HB   PHE  12          2HB       PHE  12  -7.772  11.571   1.788
  106   2HB   PHE  12          1HB       PHE  12  -7.351   9.862   1.668
  107    HD1  PHE  12           1HD      PHE  12  -9.648   8.773   3.348
  108    HD2  PHE  12           2HD      PHE  12  -9.535  11.651   0.162
  109    HE1  PHE  12           1HE      PHE  12 -11.999   8.232   2.776
  110    HE2  PHE  12           2HE      PHE  12 -11.887  11.109  -0.410
  111    HZ   PHE  12           HZ       PHE  12 -13.119   9.400   0.896
  112    H    CYS  13           H        CYS  13  -8.486   8.560   5.158
  113    HA   CYS  13           HA       CYS  13  -5.802   7.243   4.921
  114   1HB   CYS  13          2HB       CYS  13  -7.079   8.201   7.135
  115   2HB   CYS  13          1HB       CYS  13  -7.649   6.532   7.125
  116    H    TYR  14           H        TYR  14  -5.760   5.168   4.148
  117    HA   TYR  14           HA       TYR  14  -8.266   3.564   4.098
  118   1HB   TYR  14          2HB       TYR  14  -8.172   3.304   1.707
  119   2HB   TYR  14          1HB       TYR  14  -8.037   5.032   2.029
  120    HD1  TYR  14           1HD      TYR  14  -6.245   2.005   0.944
  121    HD2  TYR  14           2HD      TYR  14  -5.917   6.215   1.735
  122    HE1  TYR  14           1HE      TYR  14  -4.068   2.059  -0.241
  123    HE2  TYR  14           2HE      TYR  14  -3.738   6.267   0.550
  124    HH   TYR  14           HH       TYR  14  -2.189   3.306  -0.577
  125    H    ARG  15           H        ARG  15  -7.412   1.448   2.580
  126    HA   ARG  15           HA       ARG  15  -4.686   0.639   3.276
  127   1HB   ARG  15          2HB       ARG  15  -5.311  -1.011   4.909
  128   2HB   ARG  15          1HB       ARG  15  -6.118   0.484   5.382
  129   1HG   ARG  15          2HG       ARG  15  -7.447  -1.636   3.677
  130   2HG   ARG  15          1HG       ARG  15  -7.582  -1.589   5.435
  131   1HD   ARG  15          2HD       ARG  15  -9.351  -0.194   5.108
  132   2HD   ARG  15          1HD       ARG  15  -8.154   1.035   4.653
  133    HE   ARG  15           HE       ARG  15  -8.441  -0.474   2.351
  134   1HH1  ARG  15          1HH1      ARG  15 -11.214  -0.557   3.964
  135   2HH1  ARG  15          2HH1      ARG  15 -12.106   0.560   2.986
  136   1HH2  ARG  15          1HH2      ARG  15  -9.307   1.727   1.302
  137   2HH2  ARG  15          2HH2      ARG  15 -11.026   1.854   1.478
  138    H    LYS  16           H        LYS  16  -4.054  -1.080   1.961
  139    HA   LYS  16           HA       LYS  16  -5.962  -1.940  -0.123
  140   1HB   LYS  16          2HB       LYS  16  -3.685  -1.211  -0.682
  141   2HB   LYS  16          1HB       LYS  16  -3.011  -2.452   0.376
  142   1HG   LYS  16          2HG       LYS  16  -4.244  -4.165  -1.048
  143   2HG   LYS  16          1HG       LYS  16  -4.569  -2.857  -2.186
  144   1HD   LYS  16          2HD       LYS  16  -2.098  -2.421  -2.295
  145   2HD   LYS  16          1HD       LYS  16  -1.847  -3.857  -1.301
  146   1HE   LYS  16          2HE       LYS  16  -2.721  -5.306  -2.991
  147   2HE   LYS  16          1HE       LYS  16  -3.390  -3.943  -3.912
  148   1HZ   LYS  16          1HZ       LYS  16  -1.052  -4.943  -4.514
  149   2HZ   LYS  16          2HZ       LYS  16  -0.531  -3.922  -3.258
  150   3HZ   LYS  16          3HZ       LYS  16  -1.336  -3.273  -4.607
  151    H    CYS  17           H        CYS  17  -7.172  -3.759   0.199
  152    HA   CYS  17           HA       CYS  17  -5.984  -5.979   1.836
  153   1HB   CYS  17          2HB       CYS  17  -8.447  -4.430   2.054
  154   2HB   CYS  17          1HB       CYS  17  -8.773  -6.161   1.961
  155    H    ARG  18           H        ARG  18  -6.381  -8.098   1.043
  156    HA   ARG  18           HA       ARG  18  -8.138  -8.578  -1.245
  157   1HB   ARG  18          2HB       ARG  18  -5.496  -7.612  -1.648
  158   2HB   ARG  18          1HB       ARG  18  -5.493  -9.313  -2.116
  159   1HG   ARG  18          2HG       ARG  18  -6.753  -8.915  -3.951
  160   2HG   ARG  18          1HG       ARG  18  -7.877  -7.895  -3.051
  161   1HD   ARG  18          2HD       ARG  18  -5.179  -6.732  -3.527
  162   2HD   ARG  18          1HD       ARG  18  -6.228  -6.893  -4.949
  163    HE   ARG  18           HE       ARG  18  -7.066  -5.490  -2.436
  164   1HH1  ARG  18          1HH1      ARG  18  -9.135  -6.408  -4.494
  165   2HH1  ARG  18          2HH1      ARG  18  -9.357  -4.953  -5.409
  166   1HH2  ARG  18          1HH2      ARG  18  -6.487  -3.435  -4.192
  167   2HH2  ARG  18          2HH2      ARG  18  -7.859  -3.270  -5.237
  168   1HN   NH2  19          1H        ARG  18  -7.590 -10.985  -2.086
  169   2HN   NH2  19          2H        ARG  18  -7.187 -12.097  -0.869
  Start of MODEL    8
    1   1H    ARG   1          1HT       ARG   1  -9.230   1.785  20.091
    2   2H    ARG   1          2HT       ARG   1  -9.942   1.027  18.747
    3   3H    ARG   1          3HT       ARG   1 -10.063   2.711  18.941
    4    HA   ARG   1           HA       ARG   1  -8.399   2.433  17.318
    5   1HB   ARG   1          2HB       ARG   1  -8.057   3.675  19.719
    6   2HB   ARG   1          1HB       ARG   1  -6.658   2.601  19.714
    7   1HG   ARG   1          2HG       ARG   1  -6.536   3.534  17.173
    8   2HG   ARG   1          1HG       ARG   1  -7.261   4.928  17.975
    9   1HD   ARG   1          2HD       ARG   1  -5.037   5.422  18.384
   10   2HD   ARG   1          1HD       ARG   1  -5.311   4.344  19.768
   11    HE   ARG   1           HE       ARG   1  -4.400   2.489  18.391
   12   1HH1  ARG   1          1HH1      ARG   1  -2.850   5.377  18.335
   13   2HH1  ARG   1          2HH1      ARG   1  -2.039   5.156  16.821
   14   1HH2  ARG   1          1HH2      ARG   1  -3.859   2.333  15.956
   15   2HH2  ARG   1          2HH2      ARG   1  -2.610   3.433  15.474
   16    H    ARG   2           H        ARG   2  -8.553   0.080  16.742
   17    HA   ARG   2           HA       ARG   2  -6.052  -1.323  17.467
   18   1HB   ARG   2          2HB       ARG   2  -8.832  -2.098  18.283
   19   2HB   ARG   2          1HB       ARG   2  -7.677  -3.378  17.908
   20   1HG   ARG   2          2HG       ARG   2  -6.208  -1.633  19.493
   21   2HG   ARG   2          1HG       ARG   2  -7.804  -1.625  20.244
   22   1HD   ARG   2          2HD       ARG   2  -7.603  -4.263  19.889
   23   2HD   ARG   2          1HD       ARG   2  -5.868  -3.888  19.947
   24    HE   ARG   2           HE       ARG   2  -6.778  -2.448  22.062
   25   1HH1  ARG   2          1HH2      ARG   2  -9.215  -4.203  22.141
   26   2HH1  ARG   2          2HH2      ARG   2  -8.720  -5.456  23.229
   27   1HH2  ARG   2          1HH1      ARG   2  -5.345  -4.699  22.986
   28   2HH2  ARG   2          2HH1      ARG   2  -6.529  -5.738  23.707
   29    H    TRP   3           H        TRP   3  -5.300  -2.377  15.665
   30    HA   TRP   3           HA       TRP   3  -5.250  -2.954  13.354
   31   1HB   TRP   3          2HB       TRP   3  -7.753  -4.420  14.224
   32   2HB   TRP   3          1HB       TRP   3  -6.538  -4.956  13.061
   33    HD1  TRP   3           HD       TRP   3  -3.933  -5.080  14.231
   34    HE1  TRP   3           1HE      TRP   3  -3.318  -6.168  16.486
   35    HE3  TRP   3           3HE      TRP   3  -8.523  -5.132  16.469
   36    HZ2  TRP   3           2HZ      TRP   3  -4.601  -6.950  18.913
   37    HZ3  TRP   3           3HZ      TRP   3  -8.798  -6.056  18.752
   38    HH2  TRP   3           HH       TRP   3  -6.844  -6.966  19.978
   39    H    CYS   4           H        CYS   4  -5.848  -0.807  12.504
   40    HA   CYS   4           HA       CYS   4  -8.285  -0.886  10.892
   41   1HB   CYS   4          2HB       CYS   4  -9.077  -0.251  13.182
   42   2HB   CYS   4          1HB       CYS   4  -8.018   1.158  13.121
   43    H    PHE   5           H        PHE   5  -8.320   0.805   9.338
   44    HA   PHE   5           HA       PHE   5  -7.400   2.514   7.972
   45   1HB   PHE   5          2HB       PHE   5  -5.348   2.940  10.147
   46   2HB   PHE   5          1HB       PHE   5  -6.036   4.127   9.043
   47    HD1  PHE   5           1HD      PHE   5  -8.753   4.206   9.172
   48    HD2  PHE   5           2HD      PHE   5  -6.113   3.013  12.343
   49    HE1  PHE   5           1HE      PHE   5 -10.512   4.742  10.837
   50    HE2  PHE   5           2HE      PHE   5  -7.872   3.549  14.008
   51    HZ   PHE   5           HZ       PHE   5 -10.070   4.413  13.255
   52    H    ARG   6           H        ARG   6  -5.202   2.992   6.853
   53    HA   ARG   6           HA       ARG   6  -3.220   0.801   7.079
   54   1HB   ARG   6          2HB       ARG   6  -5.098  -0.021   5.653
   55   2HB   ARG   6          1HB       ARG   6  -4.827   1.337   4.560
   56   1HG   ARG   6          2HG       ARG   6  -2.967   0.398   3.647
   57   2HG   ARG   6          1HG       ARG   6  -2.409  -0.235   5.197
   58   1HD   ARG   6          2HD       ARG   6  -4.602  -1.795   4.831
   59   2HD   ARG   6          1HD       ARG   6  -4.121  -1.530   3.144
   60    HE   ARG   6           HE       ARG   6  -1.803  -2.101   4.754
   61   1HH1  ARG   6          1HH2      ARG   6  -4.344  -3.375   2.836
   62   2HH1  ARG   6          2HH2      ARG   6  -3.746  -5.000   2.870
   63   1HH2  ARG   6          1HH1      ARG   6  -1.121  -4.271   5.015
   64   2HH2  ARG   6          2HH1      ARG   6  -1.922  -5.508   4.103
   65    H    VAL   7           H        VAL   7  -4.303   3.732   5.359
   66    HA   VAL   7           HA       VAL   7  -1.542   4.759   5.395
   67    HB   VAL   7           HB       VAL   7  -3.067   4.071   2.869
   68   1HG1  VAL   7          1HG1      VAL   7  -0.328   5.311   2.918
   69   2HG1  VAL   7          2HG1      VAL   7  -1.757   6.340   2.997
   70   3HG1  VAL   7          3HG1      VAL   7  -1.510   5.280   1.610
   71   1HG2  VAL   7          1HG2      VAL   7  -1.918   2.141   3.611
   72   2HG2  VAL   7          2HG2      VAL   7  -0.539   3.078   4.186
   73   3HG2  VAL   7          3HG2      VAL   7  -0.804   2.873   2.455
   74    H    CYS   8           H        CYS   8  -2.052   6.723   6.324
   75    HA   CYS   8           HA       CYS   8  -4.487   8.183   5.495
   76   1HB   CYS   8          2HB       CYS   8  -2.294   9.009   7.415
   77   2HB   CYS   8          1HB       CYS   8  -3.967   9.565   7.393
   78    H    TYR   9           H        TYR   9  -4.423   9.691   3.885
   79    HA   TYR   9           HA       TYR   9  -1.763  10.653   2.931
   80   1HB   TYR   9          2HB       TYR   9  -4.331   9.913   1.785
   81   2HB   TYR   9          1HB       TYR   9  -3.827  11.509   1.228
   82    HD1  TYR   9           1HD      TYR   9  -1.664   8.639   2.223
   83    HD2  TYR   9           2HD      TYR   9  -3.105  11.095  -0.994
   84    HE1  TYR   9           1HE      TYR   9  -0.025   7.589   0.687
   85    HE2  TYR   9           2HE      TYR   9  -1.466  10.044  -2.529
   86    HH   TYR   9           HH       TYR   9   0.510   8.812  -2.543
   87    H    ARG  10           H        ARG  10  -2.430  11.888   5.294
   88    HA   ARG  10           HA       ARG  10  -2.783  14.008   6.252
   89   1HB   ARG  10          2HB       ARG  10  -2.282  14.680   3.336
   90   2HB   ARG  10          1HB       ARG  10  -2.289  15.875   4.634
   91   1HG   ARG  10          2HG       ARG  10  -0.545  14.359   5.789
   92   2HG   ARG  10          1HG       ARG  10  -0.365  13.586   4.213
   93   1HD   ARG  10          2HD       ARG  10   0.348  15.641   3.185
   94   2HD   ARG  10          1HD       ARG  10  -0.111  16.585   4.617
   95    HE   ARG  10           HE       ARG  10   1.628  14.953   5.784
   96   1HH1  ARG  10          1HH2      ARG  10   2.042  17.391   3.576
   97   2HH1  ARG  10          2HH2      ARG  10   3.643  16.944   3.088
   98   1HH2  ARG  10          1HH1      ARG  10   3.589  13.905   4.756
   99   2HH2  ARG  10          2HH1      ARG  10   4.519  14.970   3.757
  100    H    GLY  11           H        GLY  11  -5.165  12.612   5.669
  101   1HA   GLY  11          2HA       GLY  11  -7.253  14.244   6.027
  102   2HA   GLY  11          1HA       GLY  11  -6.956  14.542   4.313
  103    H    PHE  12           H        PHE  12  -6.236  11.961   3.482
  104    HA   PHE  12           HA       PHE  12  -8.801  10.469   3.939
  105   1HB   PHE  12          2HB       PHE  12  -7.220  11.272   1.580
  106   2HB   PHE  12          1HB       PHE  12  -7.775   9.599   1.542
  107    HD1  PHE  12           1HD      PHE  12 -10.324   9.690   2.954
  108    HD2  PHE  12           2HD      PHE  12  -8.643  12.496   0.170
  109    HE1  PHE  12           1HE      PHE  12 -12.604  10.458   2.352
  110    HE2  PHE  12           2HE      PHE  12 -10.923  13.264  -0.432
  111    HZ   PHE  12           HZ       PHE  12 -12.904  12.245   0.660
  112    H    CYS  13           H        CYS  13  -8.339   8.749   5.275
  113    HA   CYS  13           HA       CYS  13  -5.854   7.166   4.694
  114   1HB   CYS  13          2HB       CYS  13  -5.901   8.557   6.821
  115   2HB   CYS  13          1HB       CYS  13  -7.233   7.539   7.367
  116    H    TYR  14           H        TYR  14  -6.080   4.909   4.760
  117    HA   TYR  14           HA       TYR  14  -8.480   3.723   3.911
  118   1HB   TYR  14          2HB       TYR  14  -5.866   2.952   4.783
  119   2HB   TYR  14          1HB       TYR  14  -7.034   1.868   5.538
  120    HD1  TYR  14           1HD      TYR  14  -8.617   0.558   4.142
  121    HD2  TYR  14           2HD      TYR  14  -5.499   2.947   2.404
  122    HE1  TYR  14           1HE      TYR  14  -8.903  -0.638   1.988
  123    HE2  TYR  14           2HE      TYR  14  -5.786   1.752   0.248
  124    HH   TYR  14           HH       TYR  14  -6.747  -0.010  -0.760
  125    H    ARG  15           H        ARG  15 -10.060   2.404   5.079
  126    HA   ARG  15           HA       ARG  15 -10.217   2.883   8.024
  127   1HB   ARG  15          2HB       ARG  15 -12.236   3.576   5.878
  128   2HB   ARG  15          1HB       ARG  15 -12.680   3.445   7.580
  129   1HG   ARG  15          2HG       ARG  15 -11.528   5.346   8.171
  130   2HG   ARG  15          1HG       ARG  15 -10.299   5.115   6.927
  131   1HD   ARG  15          2HD       ARG  15 -11.985   5.757   5.190
  132   2HD   ARG  15          1HD       ARG  15 -13.138   6.109   6.493
  133    HE   ARG  15           HE       ARG  15 -10.526   7.528   6.139
  134   1HH1  ARG  15          1HH1      ARG  15 -13.001   9.002   5.459
  135   2HH1  ARG  15          2HH1      ARG  15 -13.368   9.836   6.933
  136   1HH2  ARG  15          1HH2      ARG  15 -11.305   7.846   8.883
  137   2HH2  ARG  15          2HH2      ARG  15 -12.408   9.181   8.871
  138    H    LYS  16           H        LYS  16  -9.663   0.543   8.061
  139    HA   LYS  16           HA       LYS  16 -12.063  -1.159   7.496
  140   1HB   LYS  16          2HB       LYS  16  -9.996  -1.222   5.881
  141   2HB   LYS  16          1HB       LYS  16  -9.232  -2.138   7.181
  142   1HG   LYS  16          2HG       LYS  16 -11.384  -3.580   7.150
  143   2HG   LYS  16          1HG       LYS  16 -11.681  -2.847   5.574
  144   1HD   LYS  16          2HD       LYS  16  -9.001  -4.069   6.190
  145   2HD   LYS  16          1HD       LYS  16 -10.347  -5.090   5.680
  146   1HE   LYS  16          2HE       LYS  16 -10.233  -2.781   3.960
  147   2HE   LYS  16          1HE       LYS  16  -8.639  -3.560   4.008
  148   1HZ   LYS  16          1HZ       LYS  16 -11.224  -4.672   3.180
  149   2HZ   LYS  16          2HZ       LYS  16 -10.103  -5.712   3.922
  150   3HZ   LYS  16          3HZ       LYS  16  -9.688  -4.892   2.493
  151    H    CYS  17           H        CYS  17 -12.744  -1.735   9.528
  152    HA   CYS  17           HA       CYS  17 -11.191  -3.423  11.233
  153   1HB   CYS  17          2HB       CYS  17 -10.895  -1.671  13.082
  154   2HB   CYS  17          1HB       CYS  17  -9.840  -1.500  11.681
  155    H    ARG  18           H        ARG  18 -12.543  -4.324  12.813
  156    HA   ARG  18           HA       ARG  18 -15.322  -3.212  12.943
  157   1HB   ARG  18          2HB       ARG  18 -14.123  -5.979  13.231
  158   2HB   ARG  18          1HB       ARG  18 -15.803  -5.627  13.639
  159   1HG   ARG  18          2HG       ARG  18 -16.055  -4.661  11.304
  160   2HG   ARG  18          1HG       ARG  18 -14.467  -5.335  10.939
  161   1HD   ARG  18          2HD       ARG  18 -15.387  -7.593  11.727
  162   2HD   ARG  18          1HD       ARG  18 -16.992  -6.837  11.679
  163    HE   ARG  18           HE       ARG  18 -16.013  -6.137   9.241
  164   1HH1  ARG  18          1HH2      ARG  18 -14.081  -8.449   9.510
  165   2HH1  ARG  18          2HH2      ARG  18 -14.959  -9.727   8.738
  166   1HH2  ARG  18          1HH1      ARG  18 -18.002  -8.068   8.868
  167   2HH2  ARG  18          2HH1      ARG  18 -17.181  -9.510   8.374
  168   1HN   NH2  19          1H        ARG  18 -16.194  -2.759  15.033
  169   2HN   NH2  19          2H        ARG  18 -15.327  -2.948  16.480
  Start of MODEL    9
    1   1H    ARG   1          1HT       ARG   1  -4.005  -8.830  16.013
    2   2H    ARG   1          2HT       ARG   1  -5.009  -9.801  15.044
    3   3H    ARG   1          3HT       ARG   1  -5.572  -8.308  15.628
    4    HA   ARG   1           HA       ARG   1  -4.512  -7.111  14.040
    5   1HB   ARG   1          2HB       ARG   1  -2.238  -7.828  13.282
    6   2HB   ARG   1          1HB       ARG   1  -2.357  -7.717  15.039
    7   1HG   ARG   1          2HG       ARG   1  -3.167 -10.321  14.499
    8   2HG   ARG   1          1HG       ARG   1  -1.846 -10.055  13.361
    9   1HD   ARG   1          2HD       ARG   1  -1.332  -9.039  16.095
   10   2HD   ARG   1          1HD       ARG   1  -1.454 -10.804  15.958
   11    HE   ARG   1           HE       ARG   1   0.619  -9.136  14.732
   12   1HH1  ARG   1          1HH1      ARG   1   1.118 -11.850  15.882
   13   2HH1  ARG   1          2HH1      ARG   1   1.313 -12.820  14.461
   14   1HH2  ARG   1          1HH2      ARG   1  -0.120 -10.478  12.343
   15   2HH2  ARG   1          2HH2      ARG   1   0.611 -12.044  12.457
   16    H    ARG   2           H        ARG   2  -5.882  -7.340  12.299
   17    HA   ARG   2           HA       ARG   2  -5.957  -9.951  10.850
   18   1HB   ARG   2          2HB       ARG   2  -7.782  -7.691  11.414
   19   2HB   ARG   2          1HB       ARG   2  -7.914  -8.361   9.787
   20   1HG   ARG   2          2HG       ARG   2  -9.434  -9.611  11.156
   21   2HG   ARG   2          1HG       ARG   2  -8.044 -10.659  10.872
   22   1HD   ARG   2          2HD       ARG   2  -7.675 -10.802  13.100
   23   2HD   ARG   2          1HD       ARG   2  -7.551  -9.035  13.209
   24    HE   ARG   2           HE       ARG   2 -10.020  -8.958  13.430
   25   1HH1  ARG   2          1HH2      ARG   2  -8.445 -11.163  15.223
   26   2HH1  ARG   2          2HH2      ARG   2  -9.747 -12.294  15.389
   27   1HH2  ARG   2          1HH1      ARG   2 -11.721 -10.784  12.972
   28   2HH2  ARG   2          2HH1      ARG   2 -11.601 -12.080  14.115
   29    H    TRP   3           H        TRP   3  -5.713  -9.959   8.539
   30    HA   TRP   3           HA       TRP   3  -3.643  -8.343   7.463
   31   1HB   TRP   3          2HB       TRP   3  -4.530  -9.321   5.280
   32   2HB   TRP   3          1HB       TRP   3  -4.176 -10.501   6.542
   33    HD1  TRP   3           HD       TRP   3  -7.075  -8.833   4.711
   34    HE1  TRP   3           1HE      TRP   3  -9.234 -10.159   5.184
   35    HE3  TRP   3           3HE      TRP   3  -5.356 -12.081   8.259
   36    HZ2  TRP   3           2HZ      TRP   3 -10.115 -12.313   6.848
   37    HZ3  TRP   3           3HZ      TRP   3  -6.875 -13.758   9.268
   38    HH2  TRP   3           HH       TRP   3  -9.250 -13.879   8.568
   39    H    CYS   4           H        CYS   4  -4.456  -6.158   8.116
   40    HA   CYS   4           HA       CYS   4  -6.405  -5.068   6.106
   41   1HB   CYS   4          2HB       CYS   4  -6.449  -5.145   8.964
   42   2HB   CYS   4          1HB       CYS   4  -6.231  -3.464   8.477
   43    H    PHE   5           H        PHE   5  -5.618  -3.374   4.907
   44    HA   PHE   5           HA       PHE   5  -2.859  -2.439   5.425
   45   1HB   PHE   5          2HB       PHE   5  -4.816  -1.750   3.211
   46   2HB   PHE   5          1HB       PHE   5  -3.065  -1.547   3.176
   47    HD1  PHE   5           1HD      PHE   5  -1.575  -3.443   2.871
   48    HD2  PHE   5           2HD      PHE   5  -5.831  -3.990   3.094
   49    HE1  PHE   5           1HE      PHE   5  -1.322  -5.761   2.027
   50    HE2  PHE   5           2HE      PHE   5  -5.577  -6.308   2.250
   51    HZ   PHE   5           HZ       PHE   5  -3.322  -7.194   1.717
   52    H    ARG   6           H        ARG   6  -2.405  -0.077   5.377
   53    HA   ARG   6           HA       ARG   6  -4.668   1.727   6.017
   54   1HB   ARG   6          2HB       ARG   6  -3.385   0.356   8.018
   55   2HB   ARG   6          1HB       ARG   6  -2.441   1.845   7.955
   56   1HG   ARG   6          2HG       ARG   6  -4.467   3.185   8.208
   57   2HG   ARG   6          1HG       ARG   6  -5.463   1.729   8.171
   58   1HD   ARG   6          2HD       ARG   6  -5.265   2.051  10.478
   59   2HD   ARG   6          1HD       ARG   6  -3.857   1.011  10.185
   60    HE   ARG   6           HE       ARG   6  -2.588   3.244   9.855
   61   1HH1  ARG   6          1HH1      ARG   6  -2.825   2.577  12.721
   62   2HH1  ARG   6          2HH1      ARG   6  -3.547   4.001  13.392
   63   1HH2  ARG   6          1HH2      ARG   6  -4.627   5.218  10.330
   64   2HH2  ARG   6          2HH2      ARG   6  -4.567   5.496  12.040
   65    H    VAL   7           H        VAL   7  -4.222   3.770   5.232
   66    HA   VAL   7           HA       VAL   7  -1.429   4.706   4.975
   67    HB   VAL   7           HB       VAL   7  -3.275   4.157   2.629
   68   1HG1  VAL   7          1HG1      VAL   7  -0.475   5.278   2.480
   69   2HG1  VAL   7          2HG1      VAL   7  -1.884   6.333   2.584
   70   3HG1  VAL   7          3HG1      VAL   7  -1.705   5.232   1.218
   71   1HG2  VAL   7          1HG2      VAL   7  -1.268   2.763   1.919
   72   2HG2  VAL   7          2HG2      VAL   7  -2.143   2.153   3.323
   73   3HG2  VAL   7          3HG2      VAL   7  -0.619   3.016   3.540
   74    H    CYS   8           H        CYS   8  -1.867   6.611   6.109
   75    HA   CYS   8           HA       CYS   8  -4.288   8.192   5.457
   76   1HB   CYS   8          2HB       CYS   8  -2.064   8.303   7.502
   77   2HB   CYS   8          1HB       CYS   8  -3.230   9.616   7.342
   78    H    TYR   9           H        TYR   9  -4.173   9.693   3.842
   79    HA   TYR   9           HA       TYR   9  -1.500  10.740   3.026
   80   1HB   TYR   9          2HB       TYR   9  -4.082  10.091   1.769
   81   2HB   TYR   9          1HB       TYR   9  -3.391  11.616   1.212
   82    HD1  TYR   9           1HD      TYR   9  -0.608  11.349   1.070
   83    HD2  TYR   9           2HD      TYR   9  -3.558   8.305   0.376
   84    HE1  TYR   9           1HE      TYR   9   1.008  10.105  -0.341
   85    HE2  TYR   9           2HE      TYR   9  -1.942   7.061  -1.036
   86    HH   TYR   9           HH       TYR   9   0.076   7.518  -2.356
   87    H    ARG  10           H        ARG  10  -2.496  11.818   5.439
   88    HA   ARG  10           HA       ARG  10  -3.043  13.870   6.460
   89   1HB   ARG  10          2HB       ARG  10  -1.879  14.666   3.775
   90   2HB   ARG  10          1HB       ARG  10  -2.184  15.819   5.076
   91   1HG   ARG  10          2HG       ARG  10  -0.760  14.357   6.576
   92   2HG   ARG  10          1HG       ARG  10  -0.312  13.439   5.136
   93   1HD   ARG  10          2HD       ARG  10   0.293  15.812   4.153
   94   2HD   ARG  10          1HD       ARG  10   0.395  16.268   5.866
   95    HE   ARG  10           HE       ARG  10   1.777  13.879   5.765
   96   1HH1  ARG  10          1HH1      ARG  10   2.680  16.964   5.762
   97   2HH1  ARG  10          2HH1      ARG  10   4.031  16.825   4.687
   98   1HH2  ARG  10          1HH2      ARG  10   3.192  13.634   3.621
   99   2HH2  ARG  10          2HH2      ARG  10   4.320  14.941   3.474
  100    H    GLY  11           H        GLY  11  -5.334  12.717   5.520
  101   1HA   GLY  11          2HA       GLY  11  -7.213  14.739   5.298
  102   2HA   GLY  11          1HA       GLY  11  -6.751  14.412   3.627
  103    H    PHE  12           H        PHE  12  -6.427  11.705   3.567
  104    HA   PHE  12           HA       PHE  12  -8.963  10.551   4.658
  105   1HB   PHE  12          2HB       PHE  12  -8.026  10.895   1.832
  106   2HB   PHE  12          1HB       PHE  12  -8.965   9.455   2.230
  107    HD1  PHE  12           1HD      PHE  12 -11.172   9.832   3.571
  108    HD2  PHE  12           2HD      PHE  12  -9.127  12.919   1.393
  109    HE1  PHE  12           1HE      PHE  12 -13.257  11.173   3.514
  110    HE2  PHE  12           2HE      PHE  12 -11.213  14.260   1.337
  111    HZ   PHE  12           HZ       PHE  12 -13.278  13.388   2.397
  112    H    CYS  13           H        CYS  13  -8.535   8.599   5.614
  113    HA   CYS  13           HA       CYS  13  -5.919   7.278   5.045
  114   1HB   CYS  13          2HB       CYS  13  -7.976   7.040   7.264
  115   2HB   CYS  13          1HB       CYS  13  -6.485   6.099   7.197
  116    H    TYR  14           H        TYR  14  -5.827   5.125   4.395
  117    HA   TYR  14           HA       TYR  14  -8.338   4.031   3.229
  118   1HB   TYR  14          2HB       TYR  14  -5.686   4.328   2.387
  119   2HB   TYR  14          1HB       TYR  14  -5.853   2.601   2.708
  120    HD1  TYR  14           1HD      TYR  14  -6.502   1.324   0.890
  121    HD2  TYR  14           2HD      TYR  14  -7.978   5.341   1.252
  122    HE1  TYR  14           1HE      TYR  14  -7.771   1.046  -1.224
  123    HE2  TYR  14           2HE      TYR  14  -9.247   5.065  -0.862
  124    HH   TYR  14           HH       TYR  14  -9.726   2.027  -2.334
  125    H    ARG  15           H        ARG  15  -8.747   1.693   3.486
  126    HA   ARG  15           HA       ARG  15  -7.365   0.033   5.360
  127   1HB   ARG  15          2HB       ARG  15  -8.500   0.431   7.353
  128   2HB   ARG  15          1HB       ARG  15  -8.473   2.053   6.670
  129   1HG   ARG  15          2HG       ARG  15 -10.765   1.064   5.555
  130   2HG   ARG  15          1HG       ARG  15 -10.758   0.230   7.108
  131   1HD   ARG  15          2HD       ARG  15 -10.172   3.179   7.047
  132   2HD   ARG  15          1HD       ARG  15 -11.855   2.623   6.940
  133    HE   ARG  15           HE       ARG  15 -10.106   1.535   9.096
  134   1HH1  ARG  15          1HH2      ARG  15 -11.498   4.387   9.161
  135   2HH1  ARG  15          2HH2      ARG  15 -12.825   4.013  10.208
  136   1HH2  ARG  15          1HH1      ARG  15 -12.402   0.581   9.960
  137   2HH2  ARG  15          2HH1      ARG  15 -13.337   1.859  10.661
  138    H    LYS  16           H        LYS  16  -8.269  -2.069   5.344
  139    HA   LYS  16           HA       LYS  16 -10.982  -2.660   4.563
  140   1HB   LYS  16          2HB       LYS  16 -10.386  -1.828   2.418
  141   2HB   LYS  16          1HB       LYS  16  -8.794  -2.584   2.479
  142   1HG   LYS  16          2HG       LYS  16  -9.848  -4.815   2.385
  143   2HG   LYS  16          1HG       LYS  16 -11.440  -4.058   2.315
  144   1HD   LYS  16          2HD       LYS  16 -11.207  -4.037   0.071
  145   2HD   LYS  16          1HD       LYS  16  -9.988  -2.781   0.300
  146   1HE   LYS  16          2HE       LYS  16  -8.465  -4.960   0.811
  147   2HE   LYS  16          1HE       LYS  16  -9.625  -5.664  -0.335
  148   1HZ   LYS  16          1HZ       LYS  16  -8.137  -3.123  -0.745
  149   2HZ   LYS  16          2HZ       LYS  16  -9.230  -3.827  -1.838
  150   3HZ   LYS  16          3HZ       LYS  16  -7.760  -4.602  -1.486
  151    H    CYS  17           H        CYS  17 -11.276  -4.612   5.550
  152    HA   CYS  17           HA       CYS  17  -8.939  -6.466   5.787
  153   1HB   CYS  17          2HB       CYS  17 -11.269  -5.672   7.432
  154   2HB   CYS  17          1HB       CYS  17 -10.884  -7.393   7.473
  155    H    ARG  18           H        ARG  18  -9.027  -7.870   4.036
  156    HA   ARG  18           HA       ARG  18 -11.086  -9.854   3.862
  157   1HB   ARG  18          2HB       ARG  18 -11.857  -7.384   2.888
  158   2HB   ARG  18          1HB       ARG  18 -11.325  -8.220   1.429
  159   1HG   ARG  18          2HG       ARG  18 -13.219  -9.429   1.410
  160   2HG   ARG  18          1HG       ARG  18 -12.846 -10.057   3.015
  161   1HD   ARG  18          2HD       ARG  18 -15.058  -8.810   2.864
  162   2HD   ARG  18          1HD       ARG  18 -13.938  -8.152   4.073
  163    HE   ARG  18           HE       ARG  18 -13.373  -6.884   1.593
  164   1HH1  ARG  18          1HH1      ARG  18 -16.480  -7.337   2.646
  165   2HH1  ARG  18          2HH1      ARG  18 -16.839  -5.666   2.929
  166   1HH2  ARG  18          1HH2      ARG  18 -13.558  -4.618   2.522
  167   2HH2  ARG  18          2HH2      ARG  18 -15.185  -4.127   2.859
  168   1HN   NH2  19          1H        ARG  18  -8.762  -7.981   1.834
  169   2HN   NH2  19          2H        ARG  18  -8.051  -9.341   1.111
  Start of MODEL   10
    1   1H    ARG   1          1HT       ARG   1  -0.009  -8.129   7.781
    2   2H    ARG   1          2HT       ARG   1   0.858  -7.368   6.534
    3   3H    ARG   1          3HT       ARG   1   0.011  -8.808   6.227
    4    HA   ARG   1           HA       ARG   1  -1.528  -6.526   7.239
    5   1HB   ARG   1          2HB       ARG   1   0.147  -5.711   5.526
    6   2HB   ARG   1          1HB       ARG   1  -0.587  -6.825   4.371
    7   1HG   ARG   1          2HG       ARG   1  -2.463  -5.547   4.129
    8   2HG   ARG   1          1HG       ARG   1  -2.481  -5.072   5.827
    9   1HD   ARG   1          2HD       ARG   1  -1.817  -3.042   4.968
   10   2HD   ARG   1          1HD       ARG   1  -0.213  -3.802   4.976
   11    HE   ARG   1           HE       ARG   1  -1.776  -4.439   2.591
   12   1HH1  ARG   1          1HH2      ARG   1  -0.506  -1.592   3.870
   13   2HH1  ARG   1          2HH2      ARG   1   0.504  -1.230   2.510
   14   1HH2  ARG   1          1HH1      ARG   1  -0.091  -4.258   0.927
   15   2HH2  ARG   1          2HH1      ARG   1   0.739  -2.739   0.843
   16    H    ARG   2           H        ARG   2  -3.553  -7.403   7.372
   17    HA   ARG   2           HA       ARG   2  -4.537  -9.136   5.171
   18   1HB   ARG   2          2HB       ARG   2  -3.558 -10.053   7.713
   19   2HB   ARG   2          1HB       ARG   2  -5.293 -10.359   7.631
   20   1HG   ARG   2          2HG       ARG   2  -5.099 -11.756   5.775
   21   2HG   ARG   2          1HG       ARG   2  -3.573 -11.033   5.266
   22   1HD   ARG   2          2HD       ARG   2  -2.404 -12.586   6.428
   23   2HD   ARG   2          1HD       ARG   2  -3.297 -12.197   7.911
   24    HE   ARG   2           HE       ARG   2  -5.183 -13.622   6.720
   25   1HH1  ARG   2          1HH1      ARG   2  -2.357 -14.173   5.138
   26   2HH1  ARG   2          2HH1      ARG   2  -2.207 -15.849   5.551
   27   1HH2  ARG   2          1HH2      ARG   2  -4.751 -15.770   7.906
   28   2HH2  ARG   2          2HH2      ARG   2  -3.562 -16.753   7.117
   29    H    TRP   3           H        TRP   3  -6.530  -8.328   4.669
   30    HA   TRP   3           HA       TRP   3  -8.690  -7.404   4.948
   31   1HB   TRP   3          2HB       TRP   3  -8.296  -8.016   7.884
   32   2HB   TRP   3          1HB       TRP   3  -9.800  -8.026   6.964
   33    HD1  TRP   3           HD       TRP   3  -8.226 -10.496   8.615
   34    HE1  TRP   3           1HE      TRP   3  -8.003 -12.732   7.350
   35    HE3  TRP   3           3HE      TRP   3  -8.957  -8.878   3.826
   36    HZ2  TRP   3           2HZ      TRP   3  -8.120 -13.704   4.663
   37    HZ3  TRP   3           3HZ      TRP   3  -8.896 -10.478   1.936
   38    HH2  TRP   3           HH       TRP   3  -8.479 -12.888   2.347
   39    H    CYS   4           H        CYS   4  -9.008  -5.220   4.877
   40    HA   CYS   4           HA       CYS   4  -8.963  -2.928   5.556
   41   1HB   CYS   4          2HB       CYS   4  -9.292  -4.444   7.801
   42   2HB   CYS   4          1HB       CYS   4  -7.783  -3.617   8.187
   43    H    PHE   5           H        PHE   5  -7.412  -1.360   5.235
   44    HA   PHE   5           HA       PHE   5  -4.544  -2.225   5.407
   45   1HB   PHE   5          2HB       PHE   5  -5.829  -0.069   3.700
   46   2HB   PHE   5          1HB       PHE   5  -4.194  -0.711   3.539
   47    HD1  PHE   5           1HD      PHE   5  -3.914  -3.197   2.991
   48    HD2  PHE   5           2HD      PHE   5  -7.653  -1.115   2.618
   49    HE1  PHE   5           1HE      PHE   5  -4.764  -4.989   1.502
   50    HE2  PHE   5           2HE      PHE   5  -8.502  -2.907   1.128
   51    HZ   PHE   5           HZ       PHE   5  -7.057  -4.844   0.570
   52    H    ARG   6           H        ARG   6  -3.695   0.568   4.954
   53    HA   ARG   6           HA       ARG   6  -4.718   2.304   7.012
   54   1HB   ARG   6          2HB       ARG   6  -3.878   0.611   8.512
   55   2HB   ARG   6          1HB       ARG   6  -2.349   0.518   7.638
   56   1HG   ARG   6          2HG       ARG   6  -1.537   2.455   8.570
   57   2HG   ARG   6          1HG       ARG   6  -3.135   3.194   8.684
   58   1HD   ARG   6          2HD       ARG   6  -2.595   2.738  10.944
   59   2HD   ARG   6          1HD       ARG   6  -3.582   1.335  10.488
   60    HE   ARG   6           HE       ARG   6  -1.110   0.477   9.767
   61   1HH1  ARG   6          1HH1      ARG   6  -2.770   0.772  12.631
   62   2HH1  ARG   6          2HH1      ARG   6  -1.390   0.639  13.668
   63   1HH2  ARG   6          1HH2      ARG   6   0.909   0.868  11.082
   64   2HH2  ARG   6          2HH2      ARG   6   0.693   0.692  12.791
   65    H    VAL   7           H        VAL   7  -4.327   4.011   5.568
   66    HA   VAL   7           HA       VAL   7  -1.518   4.875   5.296
   67    HB   VAL   7           HB       VAL   7  -3.289   3.991   3.007
   68   1HG1  VAL   7          1HG1      VAL   7  -1.392   4.934   1.567
   69   2HG1  VAL   7          2HG1      VAL   7  -0.899   5.843   2.995
   70   3HG1  VAL   7          3HG1      VAL   7  -2.487   6.118   2.281
   71   1HG2  VAL   7          1HG2      VAL   7  -0.626   3.220   4.161
   72   2HG2  VAL   7          2HG2      VAL   7  -0.917   2.971   2.439
   73   3HG2  VAL   7          3HG2      VAL   7  -1.953   2.186   3.631
   74    H    CYS   8           H        CYS   8  -2.182   6.768   6.438
   75    HA   CYS   8           HA       CYS   8  -4.476   8.350   5.507
   76   1HB   CYS   8          2HB       CYS   8  -2.327   8.595   7.614
   77   2HB   CYS   8          1HB       CYS   8  -3.442   9.923   7.297
   78    H    TYR   9           H        TYR   9  -4.303   9.715   3.783
   79    HA   TYR   9           HA       TYR   9  -1.610  10.639   2.913
   80   1HB   TYR   9          2HB       TYR   9  -3.303   9.512   1.400
   81   2HB   TYR   9          1HB       TYR   9  -4.321  10.939   1.590
   82    HD1  TYR   9           1HD      TYR   9  -0.915   9.843   0.515
   83    HD2  TYR   9           2HD      TYR   9  -3.954  12.870   0.286
   84    HE1  TYR   9           1HE      TYR   9   0.377  11.005  -1.253
   85    HE2  TYR   9           2HE      TYR   9  -2.661  14.033  -1.484
   86    HH   TYR   9           HH       TYR   9  -0.152  14.131  -2.161
   87    H    ARG  10           H        ARG  10  -2.575  11.868   5.289
   88    HA   ARG  10           HA       ARG  10  -2.755  14.046   6.172
   89   1HB   ARG  10          2HB       ARG  10  -1.513  14.212   3.642
   90   2HB   ARG  10          1HB       ARG  10  -2.730  15.490   3.658
   91   1HG   ARG  10          2HG       ARG  10  -0.569  15.040   5.739
   92   2HG   ARG  10          1HG       ARG  10  -0.641  16.361   4.573
   93   1HD   ARG  10          2HD       ARG  10  -2.067  17.546   5.882
   94   2HD   ARG  10          1HD       ARG  10  -3.110  16.132   6.137
   95    HE   ARG  10           HE       ARG  10  -1.315  15.366   7.803
   96   1HH1  ARG  10          1HH2      ARG  10  -2.865  18.293   7.856
   97   2HH1  ARG  10          2HH2      ARG  10  -1.752  19.088   8.919
   98   1HH2  ARG  10          1HH1      ARG  10   0.602  16.546   8.785
   99   2HH2  ARG  10          2HH1      ARG  10   0.212  18.099   9.444
  100    H    GLY  11           H        GLY  11  -5.141  12.634   5.697
  101   1HA   GLY  11          2HA       GLY  11  -7.239  14.228   6.074
  102   2HA   GLY  11          1HA       GLY  11  -6.977  14.540   4.357
  103    H    PHE  12           H        PHE  12  -6.201  11.929   3.563
  104    HA   PHE  12           HA       PHE  12  -8.798  10.475   3.929
  105   1HB   PHE  12          2HB       PHE  12  -7.749  11.478   1.672
  106   2HB   PHE  12          1HB       PHE  12  -6.911   9.926   1.679
  107    HD1  PHE  12           1HD      PHE  12  -8.794   8.053   2.792
  108    HD2  PHE  12           2HD      PHE  12  -9.529  11.366   0.159
  109    HE1  PHE  12           1HE      PHE  12 -10.848   6.937   1.964
  110    HE2  PHE  12           2HE      PHE  12 -11.583  10.249  -0.671
  111    HZ   PHE  12           HZ       PHE  12 -12.242   8.035   0.232
  112    H    CYS  13           H        CYS  13  -8.640   8.577   5.054
  113    HA   CYS  13           HA       CYS  13  -5.964   7.218   5.170
  114   1HB   CYS  13          2HB       CYS  13  -8.249   7.410   7.159
  115   2HB   CYS  13          1HB       CYS  13  -6.803   6.429   7.404
  116    H    TYR  14           H        TYR  14  -5.914   5.105   4.493
  117    HA   TYR  14           HA       TYR  14  -8.215   3.926   3.187
  118   1HB   TYR  14          2HB       TYR  14  -5.387   3.572   3.409
  119   2HB   TYR  14          1HB       TYR  14  -6.152   2.025   3.773
  120    HD1  TYR  14           1HD      TYR  14  -7.192   0.728   2.072
  121    HD2  TYR  14           2HD      TYR  14  -5.990   4.771   1.264
  122    HE1  TYR  14           1HE      TYR  14  -7.649   0.381  -0.341
  123    HE2  TYR  14           2HE      TYR  14  -6.446   4.425  -1.150
  124    HH   TYR  14           HH       TYR  14  -8.271   2.015  -2.345
  125    H    ARG  15           H        ARG  15  -9.854   2.869   4.229
  126    HA   ARG  15           HA       ARG  15  -9.227   1.130   6.551
  127   1HB   ARG  15          2HB       ARG  15 -10.175   3.790   6.773
  128   2HB   ARG  15          1HB       ARG  15 -11.553   2.746   7.131
  129   1HG   ARG  15          2HG       ARG  15 -10.593   2.817   9.229
  130   2HG   ARG  15          1HG       ARG  15  -9.713   1.441   8.563
  131   1HD   ARG  15          2HD       ARG  15  -7.737   2.594   8.464
  132   2HD   ARG  15          1HD       ARG  15  -8.534   4.103   7.975
  133    HE   ARG  15           HE       ARG  15  -9.162   3.281  10.714
  134   1HH1  ARG  15          1HH1      ARG  15  -6.375   4.284   9.095
  135   2HH1  ARG  15          2HH1      ARG  15  -6.076   5.656  10.109
  136   1HH2  ARG  15          1HH2      ARG  15  -9.070   5.365  11.835
  137   2HH2  ARG  15          2HH2      ARG  15  -7.602   6.268  11.661
  138    H    LYS  16           H        LYS  16  -9.869  -0.368   4.687
  139    HA   LYS  16           HA       LYS  16 -12.857  -0.533   4.438
  140   1HB   LYS  16          2HB       LYS  16 -10.812  -0.324   2.515
  141   2HB   LYS  16          1HB       LYS  16 -11.329  -2.009   2.457
  142   1HG   LYS  16          2HG       LYS  16 -13.667  -0.386   2.690
  143   2HG   LYS  16          1HG       LYS  16 -12.669   0.285   1.399
  144   1HD   LYS  16          2HD       LYS  16 -12.556  -1.878   0.293
  145   2HD   LYS  16          1HD       LYS  16 -13.415  -2.644   1.630
  146   1HE   LYS  16          2HE       LYS  16 -14.860  -0.331   0.537
  147   2HE   LYS  16          1HE       LYS  16 -14.628  -1.637  -0.644
  148   1HZ   LYS  16          1HZ       LYS  16 -15.658  -1.965   2.126
  149   2HZ   LYS  16          2HZ       LYS  16 -15.404  -3.222   1.012
  150   3HZ   LYS  16          3HZ       LYS  16 -16.592  -2.046   0.713
  151    H    CYS  17           H        CYS  17 -13.587  -2.174   5.733
  152    HA   CYS  17           HA       CYS  17 -12.754  -4.894   5.414
  153   1HB   CYS  17          2HB       CYS  17 -11.614  -5.053   7.700
  154   2HB   CYS  17          1HB       CYS  17 -10.697  -4.218   6.446
  155    H    ARG  18           H        ARG  18 -14.099  -6.301   6.648
  156    HA   ARG  18           HA       ARG  18 -16.071  -6.873   7.822
  157   1HB   ARG  18          2HB       ARG  18 -14.521  -4.884   9.364
  158   2HB   ARG  18          1HB       ARG  18 -16.207  -5.038   9.858
  159   1HG   ARG  18          2HG       ARG  18 -15.274  -7.673   9.438
  160   2HG   ARG  18          1HG       ARG  18 -14.012  -6.845  10.352
  161   1HD   ARG  18          2HD       ARG  18 -15.601  -6.187  12.072
  162   2HD   ARG  18          1HD       ARG  18 -16.953  -6.834  11.121
  163    HE   ARG  18           HE       ARG  18 -14.737  -8.686  11.823
  164   1HH1  ARG  18          1HH1      ARG  18 -17.350  -9.629  10.697
  165   2HH1  ARG  18          2HH1      ARG  18 -18.180 -10.177  12.116
  166   1HH2  ARG  18          1HH2      ARG  18 -16.073  -8.514  14.312
  167   2HH2  ARG  18          2HH2      ARG  18 -17.455  -9.545  14.163
  168   1HN   NH2  19          1H        ARG  18 -17.138  -5.828   5.707
  169   2HN   NH2  19          2H        ARG  18 -18.193  -4.528   5.986
  Start of MODEL   11
    1   1H    ARG   1          1HT       ARG   1  -5.772  -9.167  13.974
    2   2H    ARG   1          2HT       ARG   1  -5.549  -7.634  14.673
    3   3H    ARG   1          3HT       ARG   1  -4.332  -8.312  13.700
    4    HA   ARG   1           HA       ARG   1  -6.929  -7.163  12.875
    5   1HB   ARG   1          2HB       ARG   1  -4.114  -6.527  12.867
    6   2HB   ARG   1          1HB       ARG   1  -4.705  -6.594  11.206
    7   1HG   ARG   1          2HG       ARG   1  -5.855  -4.672  11.455
    8   2HG   ARG   1          1HG       ARG   1  -6.604  -5.242  12.946
    9   1HD   ARG   1          2HD       ARG   1  -5.161  -3.192  13.266
   10   2HD   ARG   1          1HD       ARG   1  -4.627  -4.579  14.236
   11    HE   ARG   1           HE       ARG   1  -2.660  -4.594  12.940
   12   1HH1  ARG   1          1HH1      ARG   1  -4.990  -2.549  11.514
   13   2HH1  ARG   1          2HH1      ARG   1  -4.186  -2.451   9.983
   14   1HH2  ARG   1          1HH2      ARG   1  -1.730  -4.750  10.827
   15   2HH2  ARG   1          2HH2      ARG   1  -2.340  -3.697   9.594
   16    H    ARG   2           H        ARG   2  -7.491  -7.529  10.585
   17    HA   ARG   2           HA       ARG   2  -6.356 -10.057   9.441
   18   1HB   ARG   2          2HB       ARG   2  -9.231  -9.201   9.864
   19   2HB   ARG   2          1HB       ARG   2  -8.783 -10.530   8.796
   20   1HG   ARG   2          2HG       ARG   2  -7.716 -11.710  10.648
   21   2HG   ARG   2          1HG       ARG   2  -8.043 -10.356  11.731
   22   1HD   ARG   2          2HD       ARG   2  -9.965 -11.475  12.245
   23   2HD   ARG   2          1HD       ARG   2 -10.548 -10.919  10.663
   24    HE   ARG   2           HE       ARG   2  -9.153 -13.105   9.914
   25   1HH1  ARG   2          1HH1      ARG   2 -12.212 -12.863  10.782
   26   2HH1  ARG   2          2HH1      ARG   2 -12.364 -14.372  11.620
   27   1HH2  ARG   2          1HH2      ARG   2  -8.947 -14.944  11.759
   28   2HH2  ARG   2          2HH2      ARG   2 -10.516 -15.550  12.172
   29    H    TRP   3           H        TRP   3  -5.324  -9.249   7.628
   30    HA   TRP   3           HA       TRP   3  -4.984  -7.954   5.662
   31   1HB   TRP   3          2HB       TRP   3  -7.900  -8.696   5.303
   32   2HB   TRP   3          1HB       TRP   3  -6.668  -8.533   4.050
   33    HD1  TRP   3           HD       TRP   3  -4.600 -10.355   4.183
   34    HE1  TRP   3           1HE      TRP   3  -4.669 -12.836   4.878
   35    HE3  TRP   3           3HE      TRP   3  -9.030 -10.437   6.720
   36    HZ2  TRP   3           2HZ      TRP   3  -6.377 -14.617   6.322
   37    HZ3  TRP   3           3HZ      TRP   3  -9.854 -12.538   7.744
   38    HH2  TRP   3           HH       TRP   3  -8.534 -14.628   7.548
   39    H    CYS   4           H        CYS   4  -4.859  -5.861   6.841
   40    HA   CYS   4           HA       CYS   4  -7.190  -4.107   6.172
   41   1HB   CYS   4          2HB       CYS   4  -5.624  -4.205   8.773
   42   2HB   CYS   4          1HB       CYS   4  -6.915  -3.063   8.405
   43    H    PHE   5           H        PHE   5  -6.365  -2.608   4.771
   44    HA   PHE   5           HA       PHE   5  -3.493  -1.897   4.863
   45   1HB   PHE   5          2HB       PHE   5  -5.737  -0.984   3.035
   46   2HB   PHE   5          1HB       PHE   5  -4.006  -0.848   2.723
   47    HD1  PHE   5           1HD      PHE   5  -2.623  -2.975   2.533
   48    HD2  PHE   5           2HD      PHE   5  -6.919  -2.980   2.530
   49    HE1  PHE   5           1HE      PHE   5  -2.619  -5.251   1.550
   50    HE2  PHE   5           2HE      PHE   5  -6.915  -5.257   1.547
   51    HZ   PHE   5           HZ       PHE   5  -4.766  -6.393   1.057
   52    H    ARG   6           H        ARG   6  -2.833  -0.156   6.054
   53    HA   ARG   6           HA       ARG   6  -4.834   1.998   6.649
   54   1HB   ARG   6          2HB       ARG   6  -3.781   0.459   8.461
   55   2HB   ARG   6          1HB       ARG   6  -2.312   1.399   8.195
   56   1HG   ARG   6          2HG       ARG   6  -4.294   3.338   8.403
   57   2HG   ARG   6          1HG       ARG   6  -4.755   2.144   9.617
   58   1HD   ARG   6          2HD       ARG   6  -3.074   2.817  10.977
   59   2HD   ARG   6          1HD       ARG   6  -1.885   2.592   9.679
   60    HE   ARG   6           HE       ARG   6  -3.454   4.933   9.142
   61   1HH1  ARG   6          1HH2      ARG   6  -1.729   4.049  11.907
   62   2HH1  ARG   6          2HH2      ARG   6  -0.677   5.425  11.894
   63   1HH2  ARG   6          1HH1      ARG   6  -1.782   6.574   8.815
   64   2HH2  ARG   6          2HH1      ARG   6  -0.708   6.856  10.144
   65    H    VAL   7           H        VAL   7  -4.416   3.768   5.377
   66    HA   VAL   7           HA       VAL   7  -1.607   4.740   5.185
   67    HB   VAL   7           HB       VAL   7  -3.468   3.970   2.931
   68   1HG1  VAL   7          1HG1      VAL   7  -1.183   5.067   1.778
   69   2HG1  VAL   7          2HG1      VAL   7  -1.588   6.204   3.064
   70   3HG1  VAL   7          3HG1      VAL   7  -2.779   5.816   1.822
   71   1HG2  VAL   7          1HG2      VAL   7  -1.222   2.957   2.150
   72   2HG2  VAL   7          2HG2      VAL   7  -2.018   2.187   3.523
   73   3HG2  VAL   7          3HG2      VAL   7  -0.655   3.276   3.789
   74    H    CYS   8           H        CYS   8  -1.890   6.744   6.124
   75    HA   CYS   8           HA       CYS   8  -4.354   8.305   5.527
   76   1HB   CYS   8          2HB       CYS   8  -2.135   8.361   7.560
   77   2HB   CYS   8          1HB       CYS   8  -3.136   9.793   7.323
   78    H    TYR   9           H        TYR   9  -4.226   9.650   3.779
   79    HA   TYR   9           HA       TYR   9  -1.576  10.667   2.893
   80   1HB   TYR   9          2HB       TYR   9  -3.687   9.593   1.572
   81   2HB   TYR   9          1HB       TYR   9  -4.099  11.304   1.454
   82    HD1  TYR   9           1HD      TYR   9  -2.849  12.800   0.064
   83    HD2  TYR   9           2HD      TYR   9  -1.475   8.781   0.711
   84    HE1  TYR   9           1HE      TYR   9  -1.168  13.084  -1.738
   85    HE2  TYR   9           2HE      TYR   9   0.206   9.066  -1.090
   86    HH   TYR   9           HH       TYR   9   1.023  10.417  -2.643
   87    H    ARG  10           H        ARG  10  -2.628  11.789   5.331
   88    HA   ARG  10           HA       ARG  10  -2.882  13.926   6.290
   89   1HB   ARG  10          2HB       ARG  10  -1.162  14.298   4.395
   90   2HB   ARG  10          1HB       ARG  10  -2.509  14.980   3.483
   91   1HG   ARG  10          2HG       ARG  10  -1.206  16.713   4.732
   92   2HG   ARG  10          1HG       ARG  10  -2.901  16.644   5.218
   93   1HD   ARG  10          2HD       ARG  10  -1.081  14.859   6.741
   94   2HD   ARG  10          1HD       ARG  10  -0.859  16.599   7.011
   95    HE   ARG  10           HE       ARG  10  -3.136  15.074   7.893
   96   1HH1  ARG  10          1HH2      ARG  10  -2.047  17.930   8.610
   97   2HH1  ARG  10          2HH2      ARG  10  -3.462  18.870   8.270
   98   1HH2  ARG  10          1HH1      ARG  10  -5.045  16.333   6.513
   99   2HH2  ARG  10          2HH1      ARG  10  -5.159  17.965   7.083
  100    H    GLY  11           H        GLY  11  -5.255  12.634   5.765
  101   1HA   GLY  11          2HA       GLY  11  -7.335  14.252   5.996
  102   2HA   GLY  11          1HA       GLY  11  -6.978  14.558   4.295
  103    H    PHE  12           H        PHE  12  -6.189  11.892   3.601
  104    HA   PHE  12           HA       PHE  12  -8.832  10.490   3.851
  105   1HB   PHE  12          2HB       PHE  12  -7.679  11.527   1.628
  106   2HB   PHE  12          1HB       PHE  12  -6.965   9.914   1.608
  107    HD1  PHE  12           1HD      PHE  12  -8.117   8.506   0.156
  108    HD2  PHE  12           2HD      PHE  12 -10.330  11.257   2.601
  109    HE1  PHE  12           1HE      PHE  12 -10.242   7.575  -0.720
  110    HE2  PHE  12           2HE      PHE  12 -12.456  10.327   1.725
  111    HZ   PHE  12           HZ       PHE  12 -12.412   8.485   0.064
  112    H    CYS  13           H        CYS  13  -8.560   8.793   5.263
  113    HA   CYS  13           HA       CYS  13  -5.971   7.285   5.193
  114   1HB   CYS  13          2HB       CYS  13  -8.149   7.631   7.276
  115   2HB   CYS  13          1HB       CYS  13  -6.776   6.543   7.475
  116    H    TYR  14           H        TYR  14  -6.020   5.150   4.575
  117    HA   TYR  14           HA       TYR  14  -8.611   4.023   3.677
  118   1HB   TYR  14          2HB       TYR  14  -5.874   3.958   2.888
  119   2HB   TYR  14          1HB       TYR  14  -6.337   2.305   3.296
  120    HD1  TYR  14           1HD      TYR  14  -8.519   5.026   1.979
  121    HD2  TYR  14           2HD      TYR  14  -6.563   1.289   1.163
  122    HE1  TYR  14           1HE      TYR  14  -9.761   4.842  -0.160
  123    HE2  TYR  14           2HE      TYR  14  -7.805   1.106  -0.976
  124    HH   TYR  14           HH       TYR  14  -9.741   1.932  -2.053
  125    H    ARG  15           H        ARG  15  -9.695   2.519   4.885
  126    HA   ARG  15           HA       ARG  15  -8.197   0.755   6.746
  127   1HB   ARG  15          2HB       ARG  15  -8.735   2.805   8.005
  128   2HB   ARG  15          1HB       ARG  15 -10.432   2.648   7.550
  129   1HG   ARG  15          2HG       ARG  15  -9.097   0.330   8.896
  130   2HG   ARG  15          1HG       ARG  15  -9.572   1.716   9.879
  131   1HD   ARG  15          2HD       ARG  15 -11.818   1.335   8.325
  132   2HD   ARG  15          1HD       ARG  15 -11.266  -0.328   8.604
  133    HE   ARG  15           HE       ARG  15 -11.132   0.340  11.073
  134   1HH1  ARG  15          1HH1      ARG  15 -13.913   0.355   9.448
  135   2HH1  ARG  15          2HH1      ARG  15 -14.714   1.599  10.347
  136   1HH2  ARG  15          1HH2      ARG  15 -11.836   2.647  11.971
  137   2HH2  ARG  15          2HH2      ARG  15 -13.538   2.897  11.776
  138    H    LYS  16           H        LYS  16  -8.920  -1.027   5.469
  139    HA   LYS  16           HA       LYS  16 -11.836  -1.635   5.740
  140   1HB   LYS  16          2HB       LYS  16 -10.411  -0.907   3.382
  141   2HB   LYS  16          1HB       LYS  16 -10.799  -2.622   3.249
  142   1HG   LYS  16          2HG       LYS  16 -13.093  -1.319   4.319
  143   2HG   LYS  16          1HG       LYS  16 -12.552  -0.376   2.929
  144   1HD   LYS  16          2HD       LYS  16 -13.031  -3.371   2.927
  145   2HD   LYS  16          1HD       LYS  16 -14.127  -2.165   2.253
  146   1HE   LYS  16          2HE       LYS  16 -11.263  -2.167   1.343
  147   2HE   LYS  16          1HE       LYS  16 -12.386  -3.362   0.665
  148   1HZ   LYS  16          1HZ       LYS  16 -13.637  -1.778  -0.315
  149   2HZ   LYS  16          2HZ       LYS  16 -12.201  -0.872  -0.252
  150   3HZ   LYS  16          3HZ       LYS  16 -13.401  -0.651   0.931
  151    H    CYS  17           H        CYS  17 -12.019  -3.604   6.722
  152    HA   CYS  17           HA       CYS  17  -9.776  -5.570   6.386
  153   1HB   CYS  17          2HB       CYS  17 -11.724  -5.052   8.655
  154   2HB   CYS  17          1HB       CYS  17 -10.538  -6.358   8.644
  155    H    ARG  18           H        ARG  18 -10.679  -6.713   4.600
  156    HA   ARG  18           HA       ARG  18 -13.300  -8.072   5.149
  157   1HB   ARG  18          2HB       ARG  18 -12.139  -6.649   2.823
  158   2HB   ARG  18          1HB       ARG  18 -12.993  -8.144   2.439
  159   1HG   ARG  18          2HG       ARG  18 -14.924  -7.297   3.831
  160   2HG   ARG  18          1HG       ARG  18 -14.084  -5.750   3.937
  161   1HD   ARG  18          2HD       ARG  18 -14.033  -5.679   1.414
  162   2HD   ARG  18          1HD       ARG  18 -15.075  -7.116   1.414
  163    HE   ARG  18           HE       ARG  18 -16.051  -4.960   3.137
  164   1HH1  ARG  18          1HH2      ARG  18 -15.675  -4.227   0.099
  165   2HH1  ARG  18          2HH2      ARG  18 -17.303  -4.449  -0.448
  166   1HH2  ARG  18          1HH1      ARG  18 -18.303  -6.167   2.394
  167   2HH2  ARG  18          2HH1      ARG  18 -18.791  -5.548   0.851
  168   1HN   NH2  19          1H        ARG  18 -10.541  -8.581   2.867
  169   2HN   NH2  19          2H        ARG  18 -10.324 -10.220   3.251
  Start of MODEL   12
    1   1H    ARG   1          1HT       ARG   1 -10.187 -15.123   2.357
    2   2H    ARG   1          2HT       ARG   1 -10.881 -15.074   3.907
    3   3H    ARG   1          3HT       ARG   1  -9.380 -14.331   3.621
    4    HA   ARG   1           HA       ARG   1 -10.765 -12.979   1.854
    5   1HB   ARG   1          2HB       ARG   1 -12.746 -14.385   2.258
    6   2HB   ARG   1          1HB       ARG   1 -12.729 -13.936   3.963
    7   1HG   ARG   1          2HG       ARG   1 -13.239 -11.650   3.460
    8   2HG   ARG   1          1HG       ARG   1 -12.945 -11.897   1.738
    9   1HD   ARG   1          2HD       ARG   1 -14.868 -13.788   2.197
   10   2HD   ARG   1          1HD       ARG   1 -15.360 -12.513   3.330
   11    HE   ARG   1           HE       ARG   1 -14.630 -11.639   0.599
   12   1HH1  ARG   1          1HH2      ARG   1 -17.193 -13.283   0.645
   13   2HH1  ARG   1          2HH2      ARG   1 -18.385 -12.042   0.846
   14   1HH2  ARG   1          1HH1      ARG   1 -16.096  -9.638   1.850
   15   2HH2  ARG   1          2HH1      ARG   1 -17.764  -9.978   1.529
   16    H    ARG   2           H        ARG   2  -9.881 -11.031   2.413
   17    HA   ARG   2           HA       ARG   2 -10.528  -9.627   4.827
   18   1HB   ARG   2          2HB       ARG   2  -8.618 -11.676   5.095
   19   2HB   ARG   2          1HB       ARG   2  -7.693 -10.174   5.095
   20   1HG   ARG   2          2HG       ARG   2  -8.999  -9.282   6.914
   21   2HG   ARG   2          1HG       ARG   2 -10.142 -10.620   6.819
   22   1HD   ARG   2          2HD       ARG   2  -7.650 -11.868   7.123
   23   2HD   ARG   2          1HD       ARG   2  -7.607 -10.492   8.242
   24    HE   ARG   2           HE       ARG   2 -10.169 -11.818   8.356
   25   1HH1  ARG   2          1HH2      ARG   2  -7.279 -11.191   9.963
   26   2HH1  ARG   2          2HH2      ARG   2  -7.422 -12.500  11.089
   27   1HH2  ARG   2          1HH1      ARG   2 -10.194 -13.887   9.532
   28   2HH2  ARG   2          2HH1      ARG   2  -9.073 -14.026  10.846
   29    H    TRP   3           H        TRP   3 -10.785  -8.125   3.022
   30    HA   TRP   3           HA       TRP   3  -8.234  -7.058   1.878
   31   1HB   TRP   3          2HB       TRP   3 -11.013  -6.259   1.032
   32   2HB   TRP   3          1HB       TRP   3  -9.547  -6.359   0.058
   33    HD1  TRP   3           HD       TRP   3 -12.531  -7.946  -0.215
   34    HE1  TRP   3           1HE      TRP   3 -12.404 -10.482  -0.658
   35    HE3  TRP   3           3HE      TRP   3  -7.731  -8.858   1.261
   36    HZ2  TRP   3           2HZ      TRP   3 -10.514 -12.613  -0.410
   37    HZ3  TRP   3           3HZ      TRP   3  -6.791 -11.149   1.147
   38    HH2  TRP   3           HH       TRP   3  -8.177 -13.027   0.311
   39    H    CYS   4           H        CYS   4  -7.632  -5.810   3.775
   40    HA   CYS   4           HA       CYS   4  -9.280  -3.331   4.112
   41   1HB   CYS   4          2HB       CYS   4  -8.141  -5.194   6.213
   42   2HB   CYS   4          1HB       CYS   4  -8.717  -3.570   6.585
   43    H    PHE   5           H        PHE   5  -8.042  -1.478   4.215
   44    HA   PHE   5           HA       PHE   5  -5.070  -1.799   4.481
   45   1HB   PHE   5          2HB       PHE   5  -6.762  -0.256   2.505
   46   2HB   PHE   5          1HB       PHE   5  -5.059   0.122   2.760
   47    HD1  PHE   5           1HD      PHE   5  -7.448  -2.286   1.385
   48    HD2  PHE   5           2HD      PHE   5  -3.303  -1.543   2.233
   49    HE1  PHE   5           1HE      PHE   5  -6.807  -4.158  -0.110
   50    HE2  PHE   5           2HE      PHE   5  -2.662  -3.415   0.738
   51    HZ   PHE   5           HZ       PHE   5  -4.414  -4.722  -0.434
   52    H    ARG   6           H        ARG   6  -4.114   0.566   4.820
   53    HA   ARG   6           HA       ARG   6  -5.852   2.454   6.226
   54   1HB   ARG   6          2HB       ARG   6  -4.750   2.079   8.426
   55   2HB   ARG   6          1HB       ARG   6  -5.607   0.640   7.872
   56   1HG   ARG   6          2HG       ARG   6  -3.142   0.263   6.741
   57   2HG   ARG   6          1HG       ARG   6  -2.714   1.075   8.248
   58   1HD   ARG   6          2HD       ARG   6  -4.638  -0.747   9.070
   59   2HD   ARG   6          1HD       ARG   6  -3.728  -1.647   7.841
   60    HE   ARG   6           HE       ARG   6  -1.878  -1.616   9.302
   61   1HH1  ARG   6          1HH1      ARG   6  -4.244   0.727  10.192
   62   2HH1  ARG   6          2HH1      ARG   6  -3.316   1.356  11.512
   63   1HH2  ARG   6          1HH2      ARG   6  -0.603  -0.727  10.952
   64   2HH2  ARG   6          2HH2      ARG   6  -1.258   0.534  11.943
   65    H    VAL   7           H        VAL   7  -4.661   3.634   4.422
   66    HA   VAL   7           HA       VAL   7  -1.892   4.413   5.280
   67    HB   VAL   7           HB       VAL   7  -3.260   4.202   2.585
   68   1HG1  VAL   7          1HG1      VAL   7  -1.057   5.932   3.451
   69   2HG1  VAL   7          2HG1      VAL   7  -1.986   5.964   1.952
   70   3HG1  VAL   7          3HG1      VAL   7  -0.611   4.871   2.115
   71   1HG2  VAL   7          1HG2      VAL   7  -2.338   2.115   3.424
   72   2HG2  VAL   7          2HG2      VAL   7  -0.820   2.909   3.841
   73   3HG2  VAL   7          3HG2      VAL   7  -1.277   2.715   2.150
   74    H    CYS   8           H        CYS   8  -2.597   6.160   6.623
   75    HA   CYS   8           HA       CYS   8  -4.520   8.147   5.825
   76   1HB   CYS   8          2HB       CYS   8  -2.374   7.837   7.892
   77   2HB   CYS   8          1HB       CYS   8  -3.074   9.437   7.653
   78    H    TYR   9           H        TYR   9  -4.280   9.838   4.429
   79    HA   TYR   9           HA       TYR   9  -1.568  10.945   3.906
   80   1HB   TYR   9          2HB       TYR   9  -2.704   9.000   2.309
   81   2HB   TYR   9          1HB       TYR   9  -3.180  10.486   1.488
   82    HD1  TYR   9           1HD      TYR   9  -1.724  11.176  -0.184
   83    HD2  TYR   9           2HD      TYR   9  -0.134   9.229   3.299
   84    HE1  TYR   9           1HE      TYR   9   0.568  11.407  -1.102
   85    HE2  TYR   9           2HE      TYR   9   2.158   9.459   2.382
   86    HH   TYR   9           HH       TYR   9   2.987   9.780  -0.430
   87    H    ARG  10           H        ARG  10  -2.100  13.013   4.617
   88    HA   ARG  10           HA       ARG  10  -3.056  15.161   4.519
   89   1HB   ARG  10          2HB       ARG  10  -2.974  14.048   1.937
   90   2HB   ARG  10          1HB       ARG  10  -4.587  14.746   2.086
   91   1HG   ARG  10          2HG       ARG  10  -2.023  16.219   2.755
   92   2HG   ARG  10          1HG       ARG  10  -2.892  16.378   1.228
   93   1HD   ARG  10          2HD       ARG  10  -4.952  17.005   2.631
   94   2HD   ARG  10          1HD       ARG  10  -3.826  17.192   3.991
   95    HE   ARG  10           HE       ARG  10  -3.620  18.727   1.428
   96   1HH1  ARG  10          1HH2      ARG  10  -1.624  18.035   3.941
   97   2HH1  ARG  10          2HH2      ARG  10  -1.469  19.652   4.541
   98   1HH2  ARG  10          1HH1      ARG  10  -4.015  20.918   2.555
   99   2HH2  ARG  10          2HH1      ARG  10  -2.822  21.284   3.758
  100    H    GLY  11           H        GLY  11  -4.498  13.018   5.894
  101   1HA   GLY  11          2HA       GLY  11  -6.565  13.098   7.083
  102   2HA   GLY  11          1HA       GLY  11  -7.162  14.279   5.917
  103    H    PHE  12           H        PHE  12  -5.990  12.204   3.839
  104    HA   PHE  12           HA       PHE  12  -8.564  10.739   3.582
  105   1HB   PHE  12          2HB       PHE  12  -6.942  12.108   1.838
  106   2HB   PHE  12          1HB       PHE  12  -6.446  10.441   1.545
  107    HD1  PHE  12           1HD      PHE  12  -8.287   8.694   1.117
  108    HD2  PHE  12           2HD      PHE  12  -8.963  12.933   0.943
  109    HE1  PHE  12           1HE      PHE  12 -10.349   8.311  -0.207
  110    HE2  PHE  12           2HE      PHE  12 -11.023  12.550  -0.382
  111    HZ   PHE  12           HZ       PHE  12 -11.717  10.239  -0.957
  112    H    CYS  13           H        CYS  13  -8.199   9.119   5.225
  113    HA   CYS  13           HA       CYS  13  -5.870   7.308   4.861
  114   1HB   CYS  13          2HB       CYS  13  -7.078   8.357   7.051
  115   2HB   CYS  13          1HB       CYS  13  -7.947   6.827   6.930
  116    H    TYR  14           H        TYR  14  -6.075   5.275   4.023
  117    HA   TYR  14           HA       TYR  14  -8.472   4.529   2.589
  118   1HB   TYR  14          2HB       TYR  14  -5.728   3.805   2.799
  119   2HB   TYR  14          1HB       TYR  14  -6.671   2.336   3.050
  120    HD1  TYR  14           1HD      TYR  14  -7.135   1.114   1.133
  121    HD2  TYR  14           2HD      TYR  14  -6.860   5.393   0.867
  122    HE1  TYR  14           1HE      TYR  14  -7.599   0.993  -1.301
  123    HE2  TYR  14           2HE      TYR  14  -7.323   5.271  -1.566
  124    HH   TYR  14           HH       TYR  14  -8.166   2.213  -3.125
  125    H    ARG  15           H        ARG  15 -10.253   3.544   3.448
  126    HA   ARG  15           HA       ARG  15  -9.913   1.621   5.696
  127   1HB   ARG  15          2HB       ARG  15 -10.657   4.288   6.040
  128   2HB   ARG  15          1HB       ARG  15 -12.192   3.418   6.056
  129   1HG   ARG  15          2HG       ARG  15 -11.564   3.270   8.297
  130   2HG   ARG  15          1HG       ARG  15 -10.904   1.766   7.653
  131   1HD   ARG  15          2HD       ARG  15  -8.755   3.206   7.193
  132   2HD   ARG  15          1HD       ARG  15  -9.449   4.286   8.420
  133    HE   ARG  15           HE       ARG  15  -9.315   1.388   9.056
  134   1HH1  ARG  15          1HH2      ARG  15  -7.290   4.073   9.031
  135   2HH1  ARG  15          2HH2      ARG  15  -6.874   3.991  10.710
  136   1HH2  ARG  15          1HH1      ARG  15  -9.180   1.503  11.432
  137   2HH2  ARG  15          2HH1      ARG  15  -7.944   2.536  12.070
  138    H    LYS  16           H        LYS  16 -10.608  -0.069   4.284
  139    HA   LYS  16           HA       LYS  16 -13.520  -0.027   3.660
  140   1HB   LYS  16          2HB       LYS  16 -11.298   0.220   1.794
  141   2HB   LYS  16          1HB       LYS  16 -12.284  -1.196   1.429
  142   1HG   LYS  16          2HG       LYS  16 -14.101   0.875   2.054
  143   2HG   LYS  16          1HG       LYS  16 -12.893   1.591   0.986
  144   1HD   LYS  16          2HD       LYS  16 -13.590   0.383  -0.802
  145   2HD   LYS  16          1HD       LYS  16 -13.755  -1.092   0.151
  146   1HE   LYS  16          2HE       LYS  16 -15.982  -0.513  -0.543
  147   2HE   LYS  16          1HE       LYS  16 -15.873  -0.006   1.154
  148   1HZ   LYS  16          1HZ       LYS  16 -16.611   1.654  -0.768
  149   2HZ   LYS  16          2HZ       LYS  16 -14.930   1.887  -0.853
  150   3HZ   LYS  16          3HZ       LYS  16 -15.757   2.173   0.603
  151    H    CYS  17           H        CYS  17 -14.350  -1.925   4.422
  152    HA   CYS  17           HA       CYS  17 -12.701  -4.408   4.211
  153   1HB   CYS  17          2HB       CYS  17 -13.986  -3.179   6.660
  154   2HB   CYS  17          1HB       CYS  17 -13.516  -4.878   6.600
  155    H    ARG  18           H        ARG  18 -13.964  -6.276   3.880
  156    HA   ARG  18           HA       ARG  18 -15.903  -7.554   3.420
  157   1HB   ARG  18          2HB       ARG  18 -16.495  -5.731   5.532
  158   2HB   ARG  18          1HB       ARG  18 -17.894  -5.765   4.460
  159   1HG   ARG  18          2HG       ARG  18 -17.302  -8.418   4.576
  160   2HG   ARG  18          1HG       ARG  18 -16.786  -7.902   6.183
  161   1HD   ARG  18          2HD       ARG  18 -19.495  -7.181   5.019
  162   2HD   ARG  18          1HD       ARG  18 -19.225  -8.597   6.053
  163    HE   ARG  18           HE       ARG  18 -18.110  -6.759   7.619
  164   1HH1  ARG  18          1HH2      ARG  18 -21.264  -7.316   6.770
  165   2HH1  ARG  18          2HH2      ARG  18 -21.875  -5.770   7.258
  166   1HH2  ARG  18          1HH1      ARG  18 -18.734  -4.391   7.763
  167   2HH2  ARG  18          2HH1      ARG  18 -20.444  -4.114   7.820
  168   1HN   NH2  19          1H        ARG  18 -17.398  -4.290   3.276
  169   2HN   NH2  19          2H        ARG  18 -17.715  -4.328   1.608
  Start of MODEL   13
    1   1H    ARG   1          1HT       ARG   1  -5.396  -4.903  10.370
    2   2H    ARG   1          2HT       ARG   1  -4.092  -5.979  10.532
    3   3H    ARG   1          3HT       ARG   1  -4.575  -5.022  11.849
    4    HA   ARG   1           HA       ARG   1  -5.456  -7.140  12.318
    5   1HB   ARG   1          2HB       ARG   1  -7.004  -4.832  11.674
    6   2HB   ARG   1          1HB       ARG   1  -7.940  -6.246  11.189
    7   1HG   ARG   1          2HG       ARG   1  -8.294  -6.885  13.333
    8   2HG   ARG   1          1HG       ARG   1  -6.619  -6.572  13.789
    9   1HD   ARG   1          2HD       ARG   1  -8.550  -4.294  13.306
   10   2HD   ARG   1          1HD       ARG   1  -8.412  -5.075  14.895
   11    HE   ARG   1           HE       ARG   1  -6.116  -3.783  13.470
   12   1HH1  ARG   1          1HH1      ARG   1  -7.649  -2.646  15.913
   13   2HH1  ARG   1          2HH1      ARG   1  -6.526  -3.015  17.180
   14   1HH2  ARG   1          1HH2      ARG   1  -4.692  -5.248  15.263
   15   2HH2  ARG   1          2HH2      ARG   1  -4.852  -4.489  16.811
   16    H    ARG   2           H        ARG   2  -4.479  -8.670  10.771
   17    HA   ARG   2           HA       ARG   2  -4.622 -10.297   9.062
   18   1HB   ARG   2          2HB       ARG   2  -7.502  -9.537   9.607
   19   2HB   ARG   2          1HB       ARG   2  -7.063 -10.860   8.526
   20   1HG   ARG   2          2HG       ARG   2  -7.258 -12.027  10.517
   21   2HG   ARG   2          1HG       ARG   2  -5.552 -11.585  10.589
   22   1HD   ARG   2          2HD       ARG   2  -5.969  -9.790  12.104
   23   2HD   ARG   2          1HD       ARG   2  -7.715  -9.831  11.785
   24    HE   ARG   2           HE       ARG   2  -7.380 -12.333  12.693
   25   1HH1  ARG   2          1HH2      ARG   2  -4.791 -10.605  13.653
   26   2HH1  ARG   2          2HH2      ARG   2  -5.154 -10.577  15.346
   27   1HH2  ARG   2          1HH1      ARG   2  -8.384 -11.772  14.944
   28   2HH2  ARG   2          2HH1      ARG   2  -7.188 -11.237  16.077
   29    H    TRP   3           H        TRP   3  -3.738  -9.572   7.150
   30    HA   TRP   3           HA       TRP   3  -3.518  -8.317   5.139
   31   1HB   TRP   3          2HB       TRP   3  -6.445  -9.084   4.982
   32   2HB   TRP   3          1HB       TRP   3  -5.302  -8.936   3.647
   33    HD1  TRP   3           HD       TRP   3  -3.189 -10.728   3.714
   34    HE1  TRP   3           1HE      TRP   3  -3.198 -13.199   4.448
   35    HE3  TRP   3           3HE      TRP   3  -7.493 -10.819   6.460
   36    HZ2  TRP   3           2HZ      TRP   3  -4.814 -14.976   5.996
   37    HZ3  TRP   3           3HZ      TRP   3  -8.245 -12.912   7.551
   38    HH2  TRP   3           HH       TRP   3  -6.912 -14.991   7.322
   39    H    CYS   4           H        CYS   4  -3.294  -6.160   6.056
   40    HA   CYS   4           HA       CYS   4  -5.609  -4.411   5.443
   41   1HB   CYS   4          2HB       CYS   4  -4.372  -4.882   8.155
   42   2HB   CYS   4          1HB       CYS   4  -5.184  -3.361   7.787
   43    H    PHE   5           H        PHE   5  -4.892  -2.470   4.623
   44    HA   PHE   5           HA       PHE   5  -1.998  -1.777   5.021
   45   1HB   PHE   5          2HB       PHE   5  -3.747  -1.931   2.573
   46   2HB   PHE   5          1HB       PHE   5  -2.344  -0.862   2.589
   47    HD1  PHE   5           1HD      PHE   5  -0.092  -1.734   2.600
   48    HD2  PHE   5           2HD      PHE   5  -3.468  -4.379   2.830
   49    HE1  PHE   5           1HE      PHE   5   1.393  -3.669   2.149
   50    HE2  PHE   5           2HE      PHE   5  -1.984  -6.314   2.379
   51    HZ   PHE   5           HZ       PHE   5   0.447  -5.959   2.038
   52    H    ARG   6           H        ARG   6  -3.858  -0.642   6.721
   53    HA   ARG   6           HA       ARG   6  -5.268   1.653   5.968
   54   1HB   ARG   6          2HB       ARG   6  -5.019   2.280   8.276
   55   2HB   ARG   6          1HB       ARG   6  -5.002   0.516   8.239
   56   1HG   ARG   6          2HG       ARG   6  -2.404   0.820   8.000
   57   2HG   ARG   6          1HG       ARG   6  -2.719   2.419   8.675
   58   1HD   ARG   6          2HD       ARG   6  -4.134   1.038  10.450
   59   2HD   ARG   6          1HD       ARG   6  -3.037  -0.269   9.962
   60    HE   ARG   6           HE       ARG   6  -1.205   0.977  10.845
   61   1HH1  ARG   6          1HH1      ARG   6  -3.905   2.024  12.316
   62   2HH1  ARG   6          2HH1      ARG   6  -3.404   3.661  12.579
   63   1HH2  ARG   6          1HH2      ARG   6  -0.638   3.428  10.501
   64   2HH2  ARG   6          2HH2      ARG   6  -1.554   4.456  11.552
   65    H    VAL   7           H        VAL   7  -4.673   3.783   5.455
   66    HA   VAL   7           HA       VAL   7  -1.885   4.673   5.775
   67    HB   VAL   7           HB       VAL   7  -3.180   3.983   3.139
   68   1HG1  VAL   7          1HG1      VAL   7  -1.119   5.121   2.134
   69   2HG1  VAL   7          2HG1      VAL   7  -0.913   5.904   3.701
   70   3HG1  VAL   7          3HG1      VAL   7  -2.372   6.197   2.756
   71   1HG2  VAL   7          1HG2      VAL   7  -0.634   3.160   2.959
   72   2HG2  VAL   7          2HG2      VAL   7  -1.878   2.171   3.723
   73   3HG2  VAL   7          3HG2      VAL   7  -0.790   3.141   4.716
   74    H    CYS   8           H        CYS   8  -2.163   6.737   6.495
   75    HA   CYS   8           HA       CYS   8  -4.568   8.273   5.669
   76   1HB   CYS   8          2HB       CYS   8  -2.488   8.398   7.831
   77   2HB   CYS   8          1HB       CYS   8  -3.411   9.852   7.451
   78    H    TYR   9           H        TYR   9  -4.395   9.689   3.986
   79    HA   TYR   9           HA       TYR   9  -1.679  10.782   3.325
   80   1HB   TYR   9          2HB       TYR   9  -3.896   9.594   1.804
   81   2HB   TYR   9          1HB       TYR   9  -3.294  11.097   1.104
   82    HD1  TYR   9           1HD      TYR   9  -0.455  11.074   1.780
   83    HD2  TYR   9           2HD      TYR   9  -2.993   7.843   0.526
   84    HE1  TYR   9           1HE      TYR   9   1.520   9.868   0.887
   85    HE2  TYR   9           2HE      TYR   9  -1.018   6.637  -0.367
   86    HH   TYR   9           HH       TYR   9   2.077   7.335   0.437
   87    H    ARG  10           H        ARG  10  -2.072  12.579   4.843
   88    HA   ARG  10           HA       ARG  10  -2.742  14.783   5.325
   89   1HB   ARG  10          2HB       ARG  10  -3.018  14.393   2.373
   90   2HB   ARG  10          1HB       ARG  10  -3.678  15.873   3.069
   91   1HG   ARG  10          2HG       ARG  10  -0.856  14.909   3.595
   92   2HG   ARG  10          1HG       ARG  10  -1.267  16.051   2.315
   93   1HD   ARG  10          2HD       ARG  10  -1.693  17.766   3.798
   94   2HD   ARG  10          1HD       ARG  10  -2.296  16.665   5.053
   95    HE   ARG  10           HE       ARG  10   0.465  16.102   4.619
   96   1HH1  ARG  10          1HH1      ARG  10  -1.231  16.937   7.150
   97   2HH1  ARG  10          2HH1      ARG  10  -0.255  18.253   7.714
   98   1HH2  ARG  10          1HH2      ARG  10   1.574  18.503   4.779
   99   2HH2  ARG  10          2HH2      ARG  10   1.332  19.139   6.372
  100    H    GLY  11           H        GLY  11  -4.655  12.680   5.879
  101   1HA   GLY  11          2HA       GLY  11  -6.857  13.212   6.886
  102   2HA   GLY  11          1HA       GLY  11  -7.188  14.218   5.474
  103    H    PHE  12           H        PHE  12  -6.026  12.204   3.622
  104    HA   PHE  12           HA       PHE  12  -8.450  10.581   3.286
  105   1HB   PHE  12          2HB       PHE  12  -6.752  11.792   1.595
  106   2HB   PHE  12          1HB       PHE  12  -5.980  10.207   1.649
  107    HD1  PHE  12           1HD      PHE  12  -7.990   8.247   1.772
  108    HD2  PHE  12           2HD      PHE  12  -8.146  12.033  -0.252
  109    HE1  PHE  12           1HE      PHE  12  -9.717   7.353   0.232
  110    HE2  PHE  12           2HE      PHE  12  -9.873  11.140  -1.791
  111    HZ   PHE  12           HZ       PHE  12 -10.658   8.800  -1.550
  112    H    CYS  13           H        CYS  13  -8.412   9.051   5.014
  113    HA   CYS  13           HA       CYS  13  -6.037   7.242   5.168
  114   1HB   CYS  13          2HB       CYS  13  -8.410   7.694   7.005
  115   2HB   CYS  13          1HB       CYS  13  -7.039   6.642   7.357
  116    H    TYR  14           H        TYR  14  -6.223   5.144   4.475
  117    HA   TYR  14           HA       TYR  14  -8.971   4.024   4.105
  118   1HB   TYR  14          2HB       TYR  14  -8.626   3.627   1.843
  119   2HB   TYR  14          1HB       TYR  14  -7.703   5.113   2.039
  120    HD1  TYR  14           1HD      TYR  14  -5.353   5.158   1.672
  121    HD2  TYR  14           2HD      TYR  14  -7.414   1.399   1.941
  122    HE1  TYR  14           1HE      TYR  14  -3.311   3.983   0.897
  123    HE2  TYR  14           2HE      TYR  14  -5.371   0.224   1.168
  124    HH   TYR  14           HH       TYR  14  -2.789   1.785  -0.269
  125    H    ARG  15           H        ARG  15  -9.049   2.128   5.205
  126    HA   ARG  15           HA       ARG  15  -6.571   0.438   5.319
  127   1HB   ARG  15          2HB       ARG  15  -6.820   1.435   7.460
  128   2HB   ARG  15          1HB       ARG  15  -8.574   1.260   7.427
  129   1HG   ARG  15          2HG       ARG  15  -7.355  -1.330   7.114
  130   2HG   ARG  15          1HG       ARG  15  -6.688  -0.537   8.541
  131   1HD   ARG  15          2HD       ARG  15  -9.340   0.069   8.825
  132   2HD   ARG  15          1HD       ARG  15  -9.434  -1.532   8.064
  133    HE   ARG  15           HE       ARG  15  -7.498  -1.946   9.932
  134   1HH1  ARG  15          1HH1      ARG  15  -9.060   0.557  11.091
  135   2HH1  ARG  15          2HH1      ARG  15 -10.005  -0.249  12.299
  136   1HH2  ARG  15          1HH2      ARG  15  -9.372  -3.424  11.053
  137   2HH2  ARG  15          2HH2      ARG  15 -10.182  -2.503  12.277
  138    H    LYS  16           H        LYS  16  -7.029  -1.381   4.134
  139    HA   LYS  16           HA       LYS  16  -9.797  -2.323   3.791
  140   1HB   LYS  16          2HB       LYS  16  -8.010  -2.241   2.010
  141   2HB   LYS  16          1HB       LYS  16  -7.157  -3.513   2.887
  142   1HG   LYS  16          2HG       LYS  16  -9.400  -4.814   2.754
  143   2HG   LYS  16          1HG       LYS  16  -9.823  -3.660   1.489
  144   1HD   LYS  16          2HD       LYS  16  -8.059  -4.362   0.089
  145   2HD   LYS  16          1HD       LYS  16  -7.201  -5.145   1.415
  146   1HE   LYS  16          2HE       LYS  16  -8.157  -7.061   0.607
  147   2HE   LYS  16          1HE       LYS  16  -9.621  -6.480   1.427
  148   1HZ   LYS  16          1HZ       LYS  16 -10.414  -6.588  -0.690
  149   2HZ   LYS  16          2HZ       LYS  16  -8.894  -6.330  -1.404
  150   3HZ   LYS  16          3HZ       LYS  16  -9.760  -5.024  -0.748
  151    H    CYS  17           H        CYS  17 -10.687  -3.590   5.372
  152    HA   CYS  17           HA       CYS  17  -9.100  -5.857   6.454
  153   1HB   CYS  17          2HB       CYS  17 -10.411  -3.677   8.113
  154   2HB   CYS  17          1HB       CYS  17  -9.697  -5.148   8.773
  155    H    ARG  18           H        ARG  18 -10.443  -7.592   6.171
  156    HA   ARG  18           HA       ARG  18 -13.371  -7.218   6.713
  157   1HB   ARG  18          2HB       ARG  18 -11.946  -7.933   4.300
  158   2HB   ARG  18          1HB       ARG  18 -12.996  -9.264   4.791
  159   1HG   ARG  18          2HG       ARG  18 -13.944  -6.393   4.635
  160   2HG   ARG  18          1HG       ARG  18 -14.085  -7.526   3.289
  161   1HD   ARG  18          2HD       ARG  18 -15.162  -9.061   5.226
  162   2HD   ARG  18          1HD       ARG  18 -15.585  -7.460   5.864
  163    HE   ARG  18           HE       ARG  18 -16.293  -8.389   3.106
  164   1HH1  ARG  18          1HH2      ARG  18 -17.465  -7.366   6.081
  165   2HH1  ARG  18          2HH2      ARG  18 -18.597  -6.222   5.440
  166   1HH2  ARG  18          1HH1      ARG  18 -17.442  -6.503   2.183
  167   2HH2  ARG  18          2HH1      ARG  18 -18.584  -5.733   3.234
  168   1HN   NH2  19          1H        ARG  18 -13.615  -8.406   8.656
  169   2HN   NH2  19          2H        ARG  18 -13.035  -9.983   8.897
  Start of MODEL   14
    1   1H    ARG   1          1HT       ARG   1  -3.424  -5.739   6.240
    2   2H    ARG   1          2HT       ARG   1  -2.450  -5.319   4.913
    3   3H    ARG   1          3HT       ARG   1  -1.780  -5.392   6.473
    4    HA   ARG   1           HA       ARG   1  -1.204  -7.354   5.092
    5   1HB   ARG   1          2HB       ARG   1  -1.349  -7.233   7.609
    6   2HB   ARG   1          1HB       ARG   1  -2.991  -7.866   7.489
    7   1HG   ARG   1          2HG       ARG   1  -1.204  -9.490   5.910
    8   2HG   ARG   1          1HG       ARG   1  -0.587  -9.354   7.556
    9   1HD   ARG   1          2HD       ARG   1  -3.463  -9.748   7.596
   10   2HD   ARG   1          1HD       ARG   1  -2.662 -11.050   6.694
   11    HE   ARG   1           HE       ARG   1  -2.294 -10.465   9.547
   12   1HH1  ARG   1          1HH1      ARG   1  -2.439 -13.210   8.267
   13   2HH1  ARG   1          2HH1      ARG   1  -0.794 -13.736   8.395
   14   1HH2  ARG   1          1HH2      ARG   1   0.449 -10.563   9.034
   15   2HH2  ARG   1          2HH2      ARG   1   0.841 -12.237   8.829
   16    H    ARG   2           H        ARG   2  -2.619  -7.228   3.107
   17    HA   ARG   2           HA       ARG   2  -4.219  -8.238   1.688
   18   1HB   ARG   2          2HB       ARG   2  -3.191 -10.149   3.270
   19   2HB   ARG   2          1HB       ARG   2  -4.860 -10.211   3.837
   20   1HG   ARG   2          2HG       ARG   2  -5.261 -11.541   2.054
   21   2HG   ARG   2          1HG       ARG   2  -5.135 -10.077   1.080
   22   1HD   ARG   2          2HD       ARG   2  -2.665 -11.647   1.838
   23   2HD   ARG   2          1HD       ARG   2  -3.618 -12.061   0.398
   24    HE   ARG   2           HE       ARG   2  -3.337  -9.356   0.124
   25   1HH1  ARG   2          1HH2      ARG   2  -1.777 -11.167  -1.642
   26   2HH1  ARG   2          2HH2      ARG   2  -0.141 -10.718  -1.293
   27   1HH2  ARG   2          1HH1      ARG   2  -0.940  -9.080   1.656
   28   2HH2  ARG   2          2HH1      ARG   2   0.333  -9.536   0.574
   29    H    TRP   3           H        TRP   3  -6.274  -7.491   1.329
   30    HA   TRP   3           HA       TRP   3  -8.471  -6.733   1.765
   31   1HB   TRP   3          2HB       TRP   3  -8.178  -8.270   4.355
   32   2HB   TRP   3          1HB       TRP   3  -9.647  -7.996   3.419
   33    HD1  TRP   3           HD       TRP   3  -7.988 -10.839   4.215
   34    HE1  TRP   3           1HE      TRP   3  -7.680 -12.521   2.286
   35    HE3  TRP   3           3HE      TRP   3  -8.760  -7.752   0.220
   36    HZ2  TRP   3           2HZ      TRP   3  -7.750 -12.553  -0.573
   37    HZ3  TRP   3           3HZ      TRP   3  -8.634  -8.634  -2.092
   38    HH2  TRP   3           HH       TRP   3  -8.130 -11.028  -2.494
   39    H    CYS   4           H        CYS   4  -8.899  -4.661   2.404
   40    HA   CYS   4           HA       CYS   4  -8.999  -2.726   3.811
   41   1HB   CYS   4          2HB       CYS   4  -9.265  -4.893   5.436
   42   2HB   CYS   4          1HB       CYS   4  -7.781  -4.198   6.086
   43    H    PHE   5           H        PHE   5  -7.530  -1.066   4.070
   44    HA   PHE   5           HA       PHE   5  -4.620  -1.804   4.160
   45   1HB   PHE   5          2HB       PHE   5  -6.140   0.293   2.589
   46   2HB   PHE   5          1HB       PHE   5  -4.382   0.304   2.738
   47    HD1  PHE   5           1HD      PHE   5  -7.279  -1.363   1.243
   48    HD2  PHE   5           2HD      PHE   5  -3.023  -1.537   1.795
   49    HE1  PHE   5           1HE      PHE   5  -7.113  -3.043  -0.574
   50    HE2  PHE   5           2HE      PHE   5  -2.856  -3.216  -0.022
   51    HZ   PHE   5           HZ       PHE   5  -4.901  -3.969  -1.207
   52    H    ARG   6           H        ARG   6  -3.543   0.694   4.502
   53    HA   ARG   6           HA       ARG   6  -4.939   2.215   6.580
   54   1HB   ARG   6          2HB       ARG   6  -4.228   0.197   7.795
   55   2HB   ARG   6          1HB       ARG   6  -2.570   0.430   7.235
   56   1HG   ARG   6          2HG       ARG   6  -3.189   2.887   8.347
   57   2HG   ARG   6          1HG       ARG   6  -4.000   1.753   9.428
   58   1HD   ARG   6          2HD       ARG   6  -1.961   1.484  10.410
   59   2HD   ARG   6          1HD       ARG   6  -1.522   0.554   8.963
   60    HE   ARG   6           HE       ARG   6  -1.301   3.451   8.608
   61   1HH1  ARG   6          1HH2      ARG   6   0.242   0.869  10.231
   62   2HH1  ARG   6          2HH2      ARG   6   1.836   1.293   9.699
   63   1HH2  ARG   6          1HH1      ARG   6   0.754   3.867   7.643
   64   2HH2  ARG   6          2HH1      ARG   6   2.125   2.990   8.235
   65    H    VAL   7           H        VAL   7  -4.287   3.744   4.762
   66    HA   VAL   7           HA       VAL   7  -1.511   4.759   5.248
   67    HB   VAL   7           HB       VAL   7  -2.977   4.197   2.662
   68   1HG1  VAL   7          1HG1      VAL   7  -0.472   5.858   3.080
   69   2HG1  VAL   7          2HG1      VAL   7  -2.029   6.460   2.513
   70   3HG1  VAL   7          3HG1      VAL   7  -1.100   5.343   1.515
   71   1HG2  VAL   7          1HG2      VAL   7  -0.138   3.522   2.920
   72   2HG2  VAL   7          2HG2      VAL   7  -1.495   2.498   2.446
   73   3HG2  VAL   7          3HG2      VAL   7  -1.132   2.747   4.155
   74    H    CYS   8           H        CYS   8  -2.079   6.627   6.380
   75    HA   CYS   8           HA       CYS   8  -4.386   8.264   5.619
   76   1HB   CYS   8          2HB       CYS   8  -2.162   8.335   7.641
   77   2HB   CYS   8          1HB       CYS   8  -3.118   9.791   7.370
   78    H    TYR   9           H        TYR   9  -4.298   9.627   3.885
   79    HA   TYR   9           HA       TYR   9  -1.657  10.615   2.931
   80   1HB   TYR   9          2HB       TYR   9  -3.788   9.531   1.657
   81   2HB   TYR   9          1HB       TYR   9  -4.207  11.240   1.534
   82    HD1  TYR   9           1HD      TYR   9  -3.623  12.080  -0.561
   83    HD2  TYR   9           2HD      TYR   9  -0.955   9.367   1.433
   84    HE1  TYR   9           1HE      TYR   9  -1.975  12.354  -2.393
   85    HE2  TYR   9           2HE      TYR   9   0.693   9.640  -0.400
   86    HH   TYR   9           HH       TYR   9   0.020  11.789  -3.169
   87    H    ARG  10           H        ARG  10  -2.507  11.807   5.353
   88    HA   ARG  10           HA       ARG  10  -2.912  13.917   6.315
   89   1HB   ARG  10          2HB       ARG  10  -1.854  14.460   3.541
   90   2HB   ARG  10          1HB       ARG  10  -2.228  15.788   4.640
   91   1HG   ARG  10          2HG       ARG  10  -0.518  13.496   5.582
   92   2HG   ARG  10          1HG       ARG  10   0.201  14.803   4.639
   93   1HD   ARG  10          2HD       ARG  10  -1.127  16.322   6.393
   94   2HD   ARG  10          1HD       ARG  10  -0.938  14.875   7.405
   95    HE   ARG  10           HE       ARG  10   1.449  15.923   5.965
   96   1HH1  ARG  10          1HH2      ARG  10  -0.049  16.885   8.715
   97   2HH1  ARG  10          2HH2      ARG  10   1.192  16.397   9.819
   98   1HH2  ARG  10          1HH1      ARG  10   2.959  14.586   7.447
   99   2HH2  ARG  10          2HH1      ARG  10   2.896  15.095   9.102
  100    H    GLY  11           H        GLY  11  -5.289  12.763   5.617
  101   1HA   GLY  11          2HA       GLY  11  -7.204  14.700   5.536
  102   2HA   GLY  11          1HA       GLY  11  -6.805  14.529   3.825
  103    H    PHE  12           H        PHE  12  -6.340  11.765   3.699
  104    HA   PHE  12           HA       PHE  12  -8.881  10.527   4.671
  105   1HB   PHE  12          2HB       PHE  12  -8.121  11.313   1.969
  106   2HB   PHE  12          1HB       PHE  12  -8.480   9.589   2.063
  107    HD1  PHE  12           1HD      PHE  12 -10.010  12.335   1.016
  108    HD2  PHE  12           2HD      PHE  12 -10.521   9.443   4.152
  109    HE1  PHE  12           1HE      PHE  12 -12.438  12.840   1.088
  110    HE2  PHE  12           2HE      PHE  12 -12.947   9.949   4.224
  111    HZ   PHE  12           HZ       PHE  12 -13.907  11.648   2.691
  112    H    CYS  13           H        CYS  13  -8.459   8.511   5.502
  113    HA   CYS  13           HA       CYS  13  -5.812   7.264   4.882
  114   1HB   CYS  13          2HB       CYS  13  -7.052   7.894   7.246
  115   2HB   CYS  13          1HB       CYS  13  -7.512   6.202   7.054
  116    H    TYR  14           H        TYR  14  -5.741   5.261   3.914
  117    HA   TYR  14           HA       TYR  14  -7.944   4.218   2.462
  118   1HB   TYR  14          2HB       TYR  14  -5.179   3.656   2.981
  119   2HB   TYR  14          1HB       TYR  14  -6.084   2.145   3.091
  120    HD1  TYR  14           1HD      TYR  14  -8.168   2.240   1.195
  121    HD2  TYR  14           2HD      TYR  14  -4.240   3.949   0.872
  122    HE1  TYR  14           1HE      TYR  14  -8.335   2.157  -1.277
  123    HE2  TYR  14           2HE      TYR  14  -4.407   3.866  -1.600
  124    HH   TYR  14           HH       TYR  14  -6.557   2.041  -3.236
  125    H    ARG  15           H        ARG  15  -9.714   3.112   3.189
  126    HA   ARG  15           HA       ARG  15  -9.458   1.198   5.428
  127   1HB   ARG  15          2HB       ARG  15 -10.479   3.918   5.648
  128   2HB   ARG  15          1HB       ARG  15 -11.700   2.734   6.118
  129   1HG   ARG  15          2HG       ARG  15 -10.636   2.354   8.061
  130   2HG   ARG  15          1HG       ARG  15  -9.152   1.947   7.199
  131   1HD   ARG  15          2HD       ARG  15  -8.246   4.032   7.514
  132   2HD   ARG  15          1HD       ARG  15  -9.814   4.846   7.343
  133    HE   ARG  15           HE       ARG  15 -10.346   4.147   9.653
  134   1HH1  ARG  15          1HH1      ARG  15  -7.795   2.196   9.098
  135   2HH1  ARG  15          2HH1      ARG  15  -6.820   2.717  10.431
  136   1HH2  ARG  15          1HH2      ARG  15  -8.801   5.471  11.147
  137   2HH2  ARG  15          2HH2      ARG  15  -7.390   4.572  11.591
  138    H    LYS  16           H        LYS  16  -9.991  -0.024   3.306
  139    HA   LYS  16           HA       LYS  16 -12.971  -0.132   2.975
  140   1HB   LYS  16          2HB       LYS  16 -10.769   0.297   1.070
  141   2HB   LYS  16          1HB       LYS  16 -11.895  -0.965   0.570
  142   1HG   LYS  16          2HG       LYS  16 -13.548   1.061   1.535
  143   2HG   LYS  16          1HG       LYS  16 -12.284   1.924   0.655
  144   1HD   LYS  16          2HD       LYS  16 -12.728   0.729  -1.358
  145   2HD   LYS  16          1HD       LYS  16 -13.713  -0.468  -0.517
  146   1HE   LYS  16          2HE       LYS  16 -15.545   0.795  -0.931
  147   2HE   LYS  16          1HE       LYS  16 -14.835   2.106   0.032
  148   1HZ   LYS  16          1HZ       LYS  16 -15.022   3.014  -2.095
  149   2HZ   LYS  16          2HZ       LYS  16 -14.536   1.579  -2.863
  150   3HZ   LYS  16          3HZ       LYS  16 -13.402   2.521  -2.019
  151    H    CYS  17           H        CYS  17 -13.587  -2.081   3.822
  152    HA   CYS  17           HA       CYS  17 -12.661  -4.585   2.772
  153   1HB   CYS  17          2HB       CYS  17 -11.403  -5.316   4.822
  154   2HB   CYS  17          1HB       CYS  17 -10.616  -3.992   3.963
  155    H    ARG  18           H        ARG  18 -14.047  -6.247   3.465
  156    HA   ARG  18           HA       ARG  18 -15.932  -7.211   4.514
  157   1HB   ARG  18          2HB       ARG  18 -14.203  -6.623   6.406
  158   2HB   ARG  18          1HB       ARG  18 -15.373  -5.372   6.829
  159   1HG   ARG  18          2HG       ARG  18 -16.992  -7.568   6.482
  160   2HG   ARG  18          1HG       ARG  18 -15.541  -8.289   7.180
  161   1HD   ARG  18          2HD       ARG  18 -15.841  -6.049   8.748
  162   2HD   ARG  18          1HD       ARG  18 -17.527  -6.509   8.438
  163    HE   ARG  18           HE       ARG  18 -16.105  -8.893   8.997
  164   1HH1  ARG  18          1HH1      ARG  18 -18.546  -8.200  10.499
  165   2HH1  ARG  18          2HH1      ARG  18 -17.947  -7.891  12.094
  166   1HH2  ARG  18          1HH2      ARG  18 -14.654  -7.523  11.075
  167   2HH2  ARG  18          2HH2      ARG  18 -15.743  -7.508  12.421
  168   1HN   NH2  19          1H        ARG  18 -18.218  -6.676   4.980
  169   2HN   NH2  19          2H        ARG  18 -18.822  -5.112   4.718
  Start of MODEL   15
    1   1H    ARG   1          1HT       ARG   1   0.776  -5.430   5.475
    2   2H    ARG   1          2HT       ARG   1  -0.435  -4.275   5.762
    3   3H    ARG   1          3HT       ARG   1   0.716  -4.017   4.539
    4    HA   ARG   1           HA       ARG   1  -1.469  -4.732   3.651
    5   1HB   ARG   1          2HB       ARG   1  -0.378  -6.463   2.210
    6   2HB   ARG   1          1HB       ARG   1   0.648  -5.049   2.459
    7   1HG   ARG   1          2HG       ARG   1   0.974  -7.129   4.515
    8   2HG   ARG   1          1HG       ARG   1   1.435  -7.651   2.894
    9   1HD   ARG   1          2HD       ARG   1   2.398  -4.949   3.497
   10   2HD   ARG   1          1HD       ARG   1   3.046  -6.171   4.609
   11    HE   ARG   1           HE       ARG   1   3.162  -7.312   2.038
   12   1HH1  ARG   1          1HH1      ARG   1   5.110  -5.808   4.250
   13   2HH1  ARG   1          2HH1      ARG   1   6.277  -5.214   3.117
   14   1HH2  ARG   1          1HH2      ARG   1   4.380  -6.026   0.331
   15   2HH2  ARG   1          2HH2      ARG   1   5.864  -5.337   0.898
   16    H    ARG   2           H        ARG   2  -2.428  -5.426   5.968
   17    HA   ARG   2           HA       ARG   2  -3.077  -8.318   5.717
   18   1HB   ARG   2          2HB       ARG   2  -1.263  -7.149   7.612
   19   2HB   ARG   2          1HB       ARG   2  -2.681  -7.740   8.481
   20   1HG   ARG   2          2HG       ARG   2  -2.204  -9.919   8.033
   21   2HG   ARG   2          1HG       ARG   2  -1.676  -9.564   6.387
   22   1HD   ARG   2          2HD       ARG   2   0.510  -8.969   7.091
   23   2HD   ARG   2          1HD       ARG   2   0.003  -8.785   8.782
   24    HE   ARG   2           HE       ARG   2  -0.621 -11.366   8.425
   25   1HH1  ARG   2          1HH1      ARG   2   2.262  -9.722   8.682
   26   2HH1  ARG   2          2HH1      ARG   2   3.266 -11.005   8.095
   27   1HH2  ARG   2          1HH2      ARG   2   0.604 -12.980   7.076
   28   2HH2  ARG   2          2HH2      ARG   2   2.327 -12.850   7.185
   29    H    TRP   3           H        TRP   3  -5.257  -8.548   5.965
   30    HA   TRP   3           HA       TRP   3  -7.508  -7.846   6.301
   31   1HB   TRP   3          2HB       TRP   3  -6.359  -7.181   9.021
   32   2HB   TRP   3          1HB       TRP   3  -7.947  -7.855   8.650
   33    HD1  TRP   3           HD       TRP   3  -7.802 -10.358   7.337
   34    HE1  TRP   3           1HE      TRP   3  -6.269 -12.343   7.934
   35    HE3  TRP   3           3HE      TRP   3  -4.228  -7.924  10.053
   36    HZ2  TRP   3           2HZ      TRP   3  -3.848 -12.830   9.368
   37    HZ3  TRP   3           3HZ      TRP   3  -2.319  -9.173  11.024
   38    HH2  TRP   3           HH       TRP   3  -2.126 -11.622  10.686
   39    H    CYS   4           H        CYS   4  -7.593  -5.923   4.972
   40    HA   CYS   4           HA       CYS   4  -8.033  -3.598   4.651
   41   1HB   CYS   4          2HB       CYS   4  -8.668  -4.330   7.401
   42   2HB   CYS   4          1HB       CYS   4  -8.168  -2.642   7.282
   43    H    PHE   5           H        PHE   5  -6.644  -1.904   4.268
   44    HA   PHE   5           HA       PHE   5  -3.945  -2.018   5.496
   45   1HB   PHE   5          2HB       PHE   5  -4.994  -0.152   3.356
   46   2HB   PHE   5          1HB       PHE   5  -3.328  -0.658   3.627
   47    HD1  PHE   5           1HD      PHE   5  -3.253  -3.453   3.821
   48    HD2  PHE   5           2HD      PHE   5  -5.915  -1.074   1.431
   49    HE1  PHE   5           1HE      PHE   5  -3.586  -5.370   2.283
   50    HE2  PHE   5           2HE      PHE   5  -6.248  -2.991  -0.106
   51    HZ   PHE   5           HZ       PHE   5  -5.083  -5.139   0.319
   52    H    ARG   6           H        ARG   6  -3.376   0.787   5.153
   53    HA   ARG   6           HA       ARG   6  -5.231   2.498   6.518
   54   1HB   ARG   6          2HB       ARG   6  -4.413   0.587   8.183
   55   2HB   ARG   6          1HB       ARG   6  -3.020   1.657   8.356
   56   1HG   ARG   6          2HG       ARG   6  -4.579   3.538   8.870
   57   2HG   ARG   6          1HG       ARG   6  -5.924   2.397   8.815
   58   1HD   ARG   6          2HD       ARG   6  -5.498   2.210  11.068
   59   2HD   ARG   6          1HD       ARG   6  -4.221   1.102  10.528
   60    HE   ARG   6           HE       ARG   6  -3.692   4.033  10.832
   61   1HH1  ARG   6          1HH1      ARG   6  -3.363   1.019  12.313
   62   2HH1  ARG   6          2HH1      ARG   6  -1.671   1.179  12.647
   63   1HH2  ARG   6          1HH2      ARG   6  -1.324   4.123  10.847
   64   2HH2  ARG   6          2HH2      ARG   6  -0.517   2.937  11.817
   65    H    VAL   7           H        VAL   7  -4.195   3.718   4.690
   66    HA   VAL   7           HA       VAL   7  -1.526   4.838   5.486
   67    HB   VAL   7           HB       VAL   7  -2.748   4.521   2.726
   68   1HG1  VAL   7          1HG1      VAL   7  -0.772   6.242   3.536
   69   2HG1  VAL   7          2HG1      VAL   7  -0.910   5.582   1.906
   70   3HG1  VAL   7          3HG1      VAL   7   0.167   4.821   3.077
   71   1HG2  VAL   7          1HG2      VAL   7  -1.579   2.528   2.477
   72   2HG2  VAL   7          2HG2      VAL   7  -1.999   2.431   4.187
   73   3HG2  VAL   7          3HG2      VAL   7  -0.386   2.954   3.704
   74    H    CYS   8           H        CYS   8  -2.294   6.691   6.576
   75    HA   CYS   8           HA       CYS   8  -4.454   8.345   5.549
   76   1HB   CYS   8          2HB       CYS   8  -2.362   8.511   7.706
   77   2HB   CYS   8          1HB       CYS   8  -3.342   9.927   7.329
   78    H    TYR   9           H        TYR   9  -4.244   9.671   3.801
   79    HA   TYR   9           HA       TYR   9  -1.536  10.563   2.953
   80   1HB   TYR   9          2HB       TYR   9  -3.898   9.681   1.696
   81   2HB   TYR   9          1HB       TYR   9  -3.782  11.399   1.311
   82    HD1  TYR   9           1HD      TYR   9  -1.381  12.239   0.596
   83    HD2  TYR   9           2HD      TYR   9  -2.688   8.151   0.409
   84    HE1  TYR   9           1HE      TYR   9   0.390  11.749  -1.069
   85    HE2  TYR   9           2HE      TYR   9  -0.916   7.662  -1.256
   86    HH   TYR   9           HH       TYR   9   1.563   8.971  -1.740
   87    H    ARG  10           H        ARG  10  -2.660  11.777   5.341
   88    HA   ARG  10           HA       ARG  10  -2.873  13.939   6.249
   89   1HB   ARG  10          2HB       ARG  10  -1.454  14.122   3.730
   90   2HB   ARG  10          1HB       ARG  10  -2.424  15.572   3.989
   91   1HG   ARG  10          2HG       ARG  10  -0.560  14.398   6.068
   92   2HG   ARG  10          1HG       ARG  10  -0.116  15.713   4.978
   93   1HD   ARG  10          2HD       ARG  10  -1.101  17.196   6.376
   94   2HD   ARG  10          1HD       ARG  10  -2.649  16.347   6.186
   95    HE   ARG  10           HE       ARG  10  -2.101  14.984   8.110
   96   1HH1  ARG  10          1HH2      ARG  10   0.953  15.403   7.302
   97   2HH1  ARG  10          2HH2      ARG  10   1.516  16.123   8.774
   98   1HH2  ARG  10          1HH1      ARG  10  -1.667  16.738  10.003
   99   2HH2  ARG  10          2HH1      ARG  10   0.033  16.879  10.303
  100    H    GLY  11           H        GLY  11  -5.269  12.754   5.588
  101   1HA   GLY  11          2HA       GLY  11  -7.176  14.719   5.538
  102   2HA   GLY  11          1HA       GLY  11  -6.830  14.495   3.822
  103    H    PHE  12           H        PHE  12  -6.400  11.741   3.730
  104    HA   PHE  12           HA       PHE  12  -8.875  10.515   4.864
  105   1HB   PHE  12          2HB       PHE  12  -8.715  11.539   2.309
  106   2HB   PHE  12          1HB       PHE  12  -8.298   9.844   2.053
  107    HD1  PHE  12           1HD      PHE  12 -10.066   8.396   1.630
  108    HD2  PHE  12           2HD      PHE  12 -10.736  11.849   4.096
  109    HE1  PHE  12           1HE      PHE  12 -12.456   7.775   1.850
  110    HE2  PHE  12           2HE      PHE  12 -13.127  11.226   4.317
  111    HZ   PHE  12           HZ       PHE  12 -13.987   9.189   3.194
  112    H    CYS  13           H        CYS  13  -8.491   8.415   5.518
  113    HA   CYS  13           HA       CYS  13  -5.819   7.244   4.877
  114   1HB   CYS  13          2HB       CYS  13  -7.273   7.638   7.223
  115   2HB   CYS  13          1HB       CYS  13  -7.480   5.919   6.888
  116    H    TYR  14           H        TYR  14  -5.671   5.318   3.774
  117    HA   TYR  14           HA       TYR  14  -7.927   4.325   2.278
  118   1HB   TYR  14          2HB       TYR  14  -5.072   3.964   2.514
  119   2HB   TYR  14          1HB       TYR  14  -5.859   2.390   2.402
  120    HD1  TYR  14           1HD      TYR  14  -6.615   1.582   0.327
  121    HD2  TYR  14           2HD      TYR  14  -5.780   5.769   0.798
  122    HE1  TYR  14           1HE      TYR  14  -6.958   1.924  -2.105
  123    HE2  TYR  14           2HE      TYR  14  -6.123   6.111  -1.635
  124    HH   TYR  14           HH       TYR  14  -6.622   3.386  -3.819
  125    H    ARG  15           H        ARG  15  -9.265   2.555   2.702
  126    HA   ARG  15           HA       ARG  15  -8.668   0.815   5.038
  127   1HB   ARG  15          2HB       ARG  15 -10.735   2.933   4.821
  128   2HB   ARG  15          1HB       ARG  15 -11.287   1.400   5.498
  129   1HG   ARG  15          2HG       ARG  15 -10.291   1.882   7.454
  130   2HG   ARG  15          1HG       ARG  15  -8.734   2.035   6.639
  131   1HD   ARG  15          2HD       ARG  15  -9.086   4.175   7.623
  132   2HD   ARG  15          1HD       ARG  15  -9.587   4.400   5.936
  133    HE   ARG  15           HE       ARG  15 -11.570   3.696   8.067
  134   1HH1  ARG  15          1HH1      ARG  15 -10.474   6.483   6.767
  135   2HH1  ARG  15          2HH1      ARG  15 -11.942   6.952   5.976
  136   1HH2  ARG  15          1HH2      ARG  15 -13.484   3.880   6.444
  137   2HH2  ARG  15          2HH2      ARG  15 -13.647   5.478   5.794
  138    H    LYS  16           H        LYS  16  -8.442  -0.658   3.084
  139    HA   LYS  16           HA       LYS  16 -11.132  -1.590   2.129
  140   1HB   LYS  16          2HB       LYS  16  -9.698  -0.549   0.399
  141   2HB   LYS  16          1HB       LYS  16  -8.410  -1.691   0.785
  142   1HG   LYS  16          2HG       LYS  16  -9.369  -2.866  -0.938
  143   2HG   LYS  16          1HG       LYS  16 -10.415  -3.439   0.363
  144   1HD   LYS  16          2HD       LYS  16 -12.143  -1.913  -0.208
  145   2HD   LYS  16          1HD       LYS  16 -11.069  -0.955  -1.227
  146   1HE   LYS  16          2HE       LYS  16 -10.811  -3.070  -2.676
  147   2HE   LYS  16          1HE       LYS  16 -12.218  -3.697  -1.793
  148   1HZ   LYS  16          1HZ       LYS  16 -12.380  -0.945  -2.734
  149   2HZ   LYS  16          2HZ       LYS  16 -13.587  -2.138  -2.661
  150   3HZ   LYS  16          3HZ       LYS  16 -12.457  -2.146  -3.929
  151    H    CYS  17           H        CYS  17 -11.550  -3.353   3.431
  152    HA   CYS  17           HA       CYS  17  -9.490  -5.120   4.461
  153   1HB   CYS  17          2HB       CYS  17 -12.491  -5.003   4.351
  154   2HB   CYS  17          1HB       CYS  17 -11.709  -6.487   4.896
  155    H    ARG  18           H        ARG  18  -8.832  -7.121   3.643
  156    HA   ARG  18           HA       ARG  18  -8.572  -8.873   2.075
  157   1HB   ARG  18          2HB       ARG  18 -11.092  -8.900   2.652
  158   2HB   ARG  18          1HB       ARG  18 -11.324  -8.079   1.108
  159   1HG   ARG  18          2HG       ARG  18  -9.913 -10.739   1.480
  160   2HG   ARG  18          1HG       ARG  18 -11.556 -10.534   0.871
  161   1HD   ARG  18          2HD       ARG  18 -10.500  -8.992  -0.925
  162   2HD   ARG  18          1HD       ARG  18  -8.958  -9.730  -0.447
  163    HE   ARG  18           HE       ARG  18 -10.650 -11.901  -0.743
  164   1HH1  ARG  18          1HH1      ARG  18  -8.466 -10.365  -2.613
  165   2HH1  ARG  18          2HH1      ARG  18  -9.210 -10.691  -4.142
  166   1HH2  ARG  18          1HH2      ARG  18 -12.177 -11.833  -2.755
  167   2HH2  ARG  18          2HH2      ARG  18 -11.311 -11.522  -4.222
  168   1HN   NH2  19          1H        ARG  18  -6.974  -8.006   0.632
  169   2HN   NH2  19          2H        ARG  18  -7.357  -7.116  -0.761
  Start of MODEL   16
    1   1H    ARG   1          1HT       ARG   1 -17.272   4.366  14.584
    2   2H    ARG   1          2HT       ARG   1 -16.476   4.186  13.095
    3   3H    ARG   1          3HT       ARG   1 -16.958   5.727  13.623
    4    HA   ARG   1           HA       ARG   1 -14.583   5.476  13.954
    5   1HB   ARG   1          2HB       ARG   1 -16.588   5.667  16.162
    6   2HB   ARG   1          1HB       ARG   1 -14.884   5.622  16.614
    7   1HG   ARG   1          2HG       ARG   1 -14.607   7.762  15.979
    8   2HG   ARG   1          1HG       ARG   1 -15.255   7.408  14.377
    9   1HD   ARG   1          2HD       ARG   1 -16.990   7.897  16.824
   10   2HD   ARG   1          1HD       ARG   1 -16.606   9.134  15.611
   11    HE   ARG   1           HE       ARG   1 -18.011   6.571  14.948
   12   1HH1  ARG   1          1HH1      ARG   1 -18.633   9.795  15.261
   13   2HH1  ARG   1          2HH1      ARG   1 -19.185  10.055  13.639
   14   1HH2  ARG   1          1HH2      ARG   1 -18.156   6.944  12.507
   15   2HH2  ARG   1          2HH2      ARG   1 -18.915   8.441  12.081
   16    H    ARG   2           H        ARG   2 -13.398   3.599  13.570
   17    HA   ARG   2           HA       ARG   2 -13.219   1.645  15.788
   18   1HB   ARG   2          2HB       ARG   2 -14.157   1.036  12.972
   19   2HB   ARG   2          1HB       ARG   2 -13.568  -0.214  14.070
   20   1HG   ARG   2          2HG       ARG   2 -15.303   0.876  15.741
   21   2HG   ARG   2          1HG       ARG   2 -16.057   1.448  14.252
   22   1HD   ARG   2          2HD       ARG   2 -15.390  -1.285  13.824
   23   2HD   ARG   2          1HD       ARG   2 -16.194  -1.183  15.404
   24    HE   ARG   2           HE       ARG   2 -18.062   0.003  14.286
   25   1HH1  ARG   2          1HH1      ARG   2 -17.167  -2.706  12.856
   26   2HH1  ARG   2          2HH1      ARG   2 -17.517  -2.263  11.218
   27   1HH2  ARG   2          1HH2      ARG   2 -17.880   1.112  11.930
   28   2HH2  ARG   2          2HH2      ARG   2 -17.920  -0.101  10.695
   29    H    TRP   3           H        TRP   3 -11.252   0.411  15.677
   30    HA   TRP   3           HA       TRP   3  -8.994   1.729  14.543
   31   1HB   TRP   3          2HB       TRP   3  -7.868  -0.449  15.189
   32   2HB   TRP   3          1HB       TRP   3  -8.831   0.277  16.474
   33    HD1  TRP   3           HD       TRP   3  -8.773  -2.658  14.050
   34    HE1  TRP   3           1HE      TRP   3 -10.546  -4.382  14.775
   35    HE3  TRP   3           3HE      TRP   3 -11.118  -0.017  17.743
   36    HZ2  TRP   3           2HZ      TRP   3 -12.672  -4.615  16.670
   37    HZ3  TRP   3           3HZ      TRP   3 -13.011  -1.016  18.991
   38    HH2  TRP   3           HH       TRP   3 -13.790  -3.309  18.461
   39    H    CYS   4           H        CYS   4  -9.845   1.970  12.272
   40    HA   CYS   4           HA       CYS   4  -9.056  -0.408  10.634
   41   1HB   CYS   4          2HB       CYS   4 -11.482   1.362  10.194
   42   2HB   CYS   4          1HB       CYS   4 -11.048  -0.071   9.262
   43    H    PHE   5           H        PHE   5  -7.397   0.277   9.354
   44    HA   PHE   5           HA       PHE   5  -7.618   2.502   7.554
   45   1HB   PHE   5          2HB       PHE   5  -5.822   3.889   8.767
   46   2HB   PHE   5          1HB       PHE   5  -7.433   3.895   9.484
   47    HD1  PHE   5           1HD      PHE   5  -4.278   1.858   9.592
   48    HD2  PHE   5           2HD      PHE   5  -7.605   3.487  11.768
   49    HE1  PHE   5           1HE      PHE   5  -3.342   0.950  11.703
   50    HE2  PHE   5           2HE      PHE   5  -6.670   2.579  13.878
   51    HZ   PHE   5           HZ       PHE   5  -4.538   1.311  13.845
   52    H    ARG   6           H        ARG   6  -5.028   3.156   7.057
   53    HA   ARG   6           HA       ARG   6  -3.113   1.020   7.287
   54   1HB   ARG   6          2HB       ARG   6  -4.958  -0.003   5.881
   55   2HB   ARG   6          1HB       ARG   6  -4.579   1.190   4.638
   56   1HG   ARG   6          2HG       ARG   6  -2.485   0.263   4.195
   57   2HG   ARG   6          1HG       ARG   6  -2.374  -0.496   5.784
   58   1HD   ARG   6          2HD       ARG   6  -4.183  -2.082   5.136
   59   2HD   ARG   6          1HD       ARG   6  -4.211  -1.354   3.518
   60    HE   ARG   6           HE       ARG   6  -1.511  -2.017   4.163
   61   1HH1  ARG   6          1HH2      ARG   6  -3.898  -2.869   2.086
   62   2HH1  ARG   6          2HH2      ARG   6  -3.509  -4.554   1.989
   63   1HH2  ARG   6          1HH1      ARG   6  -1.275  -4.462   4.640
   64   2HH2  ARG   6          2HH1      ARG   6  -2.023  -5.455   3.434
   65    H    VAL   7           H        VAL   7  -4.319   3.807   5.479
   66    HA   VAL   7           HA       VAL   7  -1.553   4.835   5.264
   67    HB   VAL   7           HB       VAL   7  -3.379   4.326   2.894
   68   1HG1  VAL   7          1HG1      VAL   7  -2.078   5.723   1.687
   69   2HG1  VAL   7          2HG1      VAL   7  -0.599   5.024   2.350
   70   3HG1  VAL   7          3HG1      VAL   7  -1.439   6.306   3.223
   71   1HG2  VAL   7          1HG2      VAL   7  -1.359   2.869   2.231
   72   2HG2  VAL   7          2HG2      VAL   7  -2.399   2.249   3.513
   73   3HG2  VAL   7          3HG2      VAL   7  -0.858   3.005   3.917
   74    H    CYS   8           H        CYS   8  -1.800   6.873   6.084
   75    HA   CYS   8           HA       CYS   8  -4.358   8.333   5.611
   76   1HB   CYS   8          2HB       CYS   8  -2.110   8.400   7.593
   77   2HB   CYS   8          1HB       CYS   8  -3.055   9.870   7.351
   78    H    TYR   9           H        TYR   9  -4.278   9.511   3.734
   79    HA   TYR   9           HA       TYR   9  -1.742  10.658   2.755
   80   1HB   TYR   9          2HB       TYR   9  -3.483   9.572   1.314
   81   2HB   TYR   9          1HB       TYR   9  -4.594  10.873   1.737
   82    HD1  TYR   9           1HD      TYR   9  -4.828  12.435   0.031
   83    HD2  TYR   9           2HD      TYR   9  -0.969  10.696   0.761
   84    HE1  TYR   9           1HE      TYR   9  -3.853  13.851  -1.755
   85    HE2  TYR   9           2HE      TYR   9   0.007  12.114  -1.025
   86    HH   TYR   9           HH       TYR   9  -1.282  14.767  -2.176
   87    H    ARG  10           H        ARG  10  -2.569  11.737   5.281
   88    HA   ARG  10           HA       ARG  10  -2.815  13.839   6.312
   89   1HB   ARG  10          2HB       ARG  10  -1.647  14.180   3.693
   90   2HB   ARG  10          1HB       ARG  10  -2.678  15.563   4.061
   91   1HG   ARG  10          2HG       ARG  10  -0.646  14.494   6.031
   92   2HG   ARG  10          1HG       ARG  10  -0.251  15.741   4.847
   93   1HD   ARG  10          2HD       ARG  10  -2.651  16.628   5.990
   94   2HD   ARG  10          1HD       ARG  10  -1.703  16.010   7.358
   95    HE   ARG  10           HE       ARG  10  -0.552  17.930   5.365
   96   1HH1  ARG  10          1HH2      ARG  10  -1.802  17.714   8.467
   97   2HH1  ARG  10          2HH2      ARG  10  -0.442  18.438   9.258
   98   1HH2  ARG  10          1HH1      ARG  10   1.545  18.446   6.416
   99   2HH2  ARG  10          2HH1      ARG  10   1.452  18.852   8.098
  100    H    GLY  11           H        GLY  11  -5.199  12.499   5.685
  101   1HA   GLY  11          2HA       GLY  11  -7.293  14.080   6.105
  102   2HA   GLY  11          1HA       GLY  11  -6.975  14.516   4.425
  103    H    PHE  12           H        PHE  12  -6.137  11.891   3.567
  104    HA   PHE  12           HA       PHE  12  -8.787  10.490   3.657
  105   1HB   PHE  12          2HB       PHE  12  -7.244  11.510   1.557
  106   2HB   PHE  12          1HB       PHE  12  -6.957   9.771   1.500
  107    HD1  PHE  12           1HD      PHE  12  -9.157   8.292   1.879
  108    HD2  PHE  12           2HD      PHE  12  -9.111  12.338   0.436
  109    HE1  PHE  12           1HE      PHE  12 -11.391   7.953   0.859
  110    HE2  PHE  12           2HE      PHE  12 -11.346  11.999  -0.585
  111    HZ   PHE  12           HZ       PHE  12 -12.486   9.806  -0.373
  112    H    CYS  13           H        CYS  13  -8.401   9.008   5.356
  113    HA   CYS  13           HA       CYS  13  -5.936   7.330   5.221
  114   1HB   CYS  13          2HB       CYS  13  -8.106   7.740   7.303
  115   2HB   CYS  13          1HB       CYS  13  -6.725   6.664   7.513
  116    H    TYR  14           H        TYR  14  -6.056   5.148   4.767
  117    HA   TYR  14           HA       TYR  14  -8.226   4.054   3.317
  118   1HB   TYR  14          2HB       TYR  14  -5.656   3.314   4.285
  119   2HB   TYR  14          1HB       TYR  14  -6.767   2.019   4.732
  120    HD1  TYR  14           1HD      TYR  14  -8.134   0.884   2.988
  121    HD2  TYR  14           2HD      TYR  14  -5.094   3.748   1.990
  122    HE1  TYR  14           1HE      TYR  14  -8.147   0.077   0.642
  123    HE2  TYR  14           2HE      TYR  14  -5.105   2.942  -0.358
  124    HH   TYR  14           HH       TYR  14  -6.333   1.727  -1.877
  125    H    ARG  15           H        ARG  15  -9.524   2.078   4.071
  126    HA   ARG  15           HA       ARG  15 -10.369   2.378   6.935
  127   1HB   ARG  15          2HB       ARG  15 -12.029   3.458   5.613
  128   2HB   ARG  15          1HB       ARG  15 -11.957   2.210   4.368
  129   1HG   ARG  15          2HG       ARG  15 -12.598   1.054   6.952
  130   2HG   ARG  15          1HG       ARG  15 -13.750   2.319   6.526
  131   1HD   ARG  15          2HD       ARG  15 -13.251   0.785   4.164
  132   2HD   ARG  15          1HD       ARG  15 -13.622  -0.341   5.485
  133    HE   ARG  15           HE       ARG  15 -15.821   0.498   5.439
  134   1HH1  ARG  15          1HH2      ARG  15 -13.882   2.402   3.420
  135   2HH1  ARG  15          2HH2      ARG  15 -14.941   3.772   3.422
  136   1HH2  ARG  15          1HH1      ARG  15 -17.074   2.452   5.815
  137   2HH2  ARG  15          2HH1      ARG  15 -16.748   3.800   4.778
  138    H    LYS  16           H        LYS  16  -8.835   0.466   7.145
  139    HA   LYS  16           HA       LYS  16 -10.267  -2.071   6.437
  140   1HB   LYS  16          2HB       LYS  16  -8.356  -1.650   4.932
  141   2HB   LYS  16          1HB       LYS  16  -7.294  -1.462   6.329
  142   1HG   LYS  16          2HG       LYS  16  -7.904  -3.802   7.022
  143   2HG   LYS  16          1HG       LYS  16  -8.779  -3.971   5.501
  144   1HD   LYS  16          2HD       LYS  16  -6.245  -2.937   4.815
  145   2HD   LYS  16          1HD       LYS  16  -5.941  -4.212   5.996
  146   1HE   LYS  16          2HE       LYS  16  -6.094  -5.578   4.152
  147   2HE   LYS  16          1HE       LYS  16  -7.839  -5.407   4.420
  148   1HZ   LYS  16          1HZ       LYS  16  -7.430  -3.174   3.136
  149   2HZ   LYS  16          2HZ       LYS  16  -7.691  -4.626   2.292
  150   3HZ   LYS  16          3HZ       LYS  16  -6.113  -4.028   2.492
  151    H    CYS  17           H        CYS  17 -10.901  -2.903   8.389
  152    HA   CYS  17           HA       CYS  17  -9.562  -2.276  10.894
  153   1HB   CYS  17          2HB       CYS  17 -11.573  -4.452  10.242
  154   2HB   CYS  17          1HB       CYS  17 -11.294  -3.701  11.814
  155    H    ARG  18           H        ARG  18  -8.209  -3.649  12.119
  156    HA   ARG  18           HA       ARG  18  -6.752  -5.710  10.600
  157   1HB   ARG  18          2HB       ARG  18  -6.529  -4.451  13.346
  158   2HB   ARG  18          1HB       ARG  18  -5.438  -5.723  12.796
  159   1HG   ARG  18          2HG       ARG  18  -5.744  -3.612  10.803
  160   2HG   ARG  18          1HG       ARG  18  -5.127  -2.992  12.336
  161   1HD   ARG  18          2HD       ARG  18  -3.133  -4.098  12.121
  162   2HD   ARG  18          1HD       ARG  18  -3.901  -5.536  11.415
  163    HE   ARG  18           HE       ARG  18  -4.221  -3.482   9.523
  164   1HH1  ARG  18          1HH2      ARG  18  -1.931  -5.692  10.770
  165   2HH1  ARG  18          2HH2      ARG  18  -0.702  -5.294   9.618
  166   1HH2  ARG  18          1HH1      ARG  18  -2.518  -2.722   8.168
  167   2HH2  ARG  18          2HH1      ARG  18  -1.034  -3.613   8.144
  168   1HN   NH2  19          1H        ARG  18  -9.177  -6.864  10.729
  169   2HN   NH2  19          2H        ARG  18  -9.301  -8.010  11.974
  Start of MODEL   17
    1   1H    ARG   1          1HT       ARG   1  -3.990 -14.633   6.648
    2   2H    ARG   1          2HT       ARG   1  -4.272 -14.260   5.014
    3   3H    ARG   1          3HT       ARG   1  -4.953 -15.658   5.699
    4    HA   ARG   1           HA       ARG   1  -6.553 -13.765   5.416
    5   1HB   ARG   1          2HB       ARG   1  -7.333 -14.138   7.840
    6   2HB   ARG   1          1HB       ARG   1  -7.061 -15.587   6.872
    7   1HG   ARG   1          2HG       ARG   1  -5.018 -16.069   7.941
    8   2HG   ARG   1          1HG       ARG   1  -4.851 -14.425   8.558
    9   1HD   ARG   1          2HD       ARG   1  -7.317 -15.454   9.566
   10   2HD   ARG   1          1HD       ARG   1  -6.059 -16.671   9.863
   11    HE   ARG   1           HE       ARG   1  -4.705 -14.527  10.654
   12   1HH1  ARG   1          1HH2      ARG   1  -7.376 -16.058  11.915
   13   2HH1  ARG   1          2HH2      ARG   1  -7.835 -14.783  12.993
   14   1HH2  ARG   1          1HH1      ARG   1  -5.581 -12.500  11.678
   15   2HH2  ARG   1          2HH1      ARG   1  -6.818 -12.769  12.859
   16    H    ARG   2           H        ARG   2  -5.939 -11.600   5.134
   17    HA   ARG   2           HA       ARG   2  -5.761  -9.901   7.451
   18   1HB   ARG   2          2HB       ARG   2  -3.554 -10.964   7.600
   19   2HB   ARG   2          1HB       ARG   2  -3.206 -10.510   5.933
   20   1HG   ARG   2          2HG       ARG   2  -2.507  -8.475   6.589
   21   2HG   ARG   2          1HG       ARG   2  -4.044  -8.179   7.401
   22   1HD   ARG   2          2HD       ARG   2  -2.489  -8.067   9.178
   23   2HD   ARG   2          1HD       ARG   2  -3.050  -9.749   9.270
   24    HE   ARG   2           HE       ARG   2  -0.853  -9.549   7.423
   25   1HH1  ARG   2          1HH1      ARG   2  -1.421 -11.495   9.793
   26   2HH1  ARG   2          2HH1      ARG   2   0.000 -11.226  10.746
   27   1HH2  ARG   2          1HH2      ARG   2   0.895  -8.325   9.070
   28   2HH2  ARG   2          2HH2      ARG   2   1.311  -9.432  10.336
   29    H    TRP   3           H        TRP   3  -6.860  -8.183   6.603
   30    HA   TRP   3           HA       TRP   3  -6.006  -7.137   3.924
   31   1HB   TRP   3          2HB       TRP   3  -8.868  -7.055   4.854
   32   2HB   TRP   3          1HB       TRP   3  -8.239  -7.060   3.207
   33    HD1  TRP   3           HD       TRP   3  -8.068  -9.333   2.021
   34    HE1  TRP   3           1HE      TRP   3  -8.394 -11.789   2.738
   35    HE3  TRP   3           3HE      TRP   3  -8.586  -8.719   7.063
   36    HZ2  TRP   3           2HZ      TRP   3  -8.812 -13.288   5.137
   37    HZ3  TRP   3           3HZ      TRP   3  -8.946 -10.674   8.540
   38    HH2  TRP   3           HH       TRP   3  -9.062 -12.959   7.582
   39    H    CYS   4           H        CYS   4  -4.806  -5.455   5.022
   40    HA   CYS   4           HA       CYS   4  -6.549  -3.285   6.095
   41   1HB   CYS   4          2HB       CYS   4  -5.010  -5.024   7.662
   42   2HB   CYS   4          1HB       CYS   4  -4.037  -3.556   7.550
   43    H    PHE   5           H        PHE   5  -5.901  -1.299   5.333
   44    HA   PHE   5           HA       PHE   5  -3.321  -1.184   3.816
   45   1HB   PHE   5          2HB       PHE   5  -5.903   0.403   3.649
   46   2HB   PHE   5          1HB       PHE   5  -4.488   0.699   2.640
   47    HD1  PHE   5           1HD      PHE   5  -7.573  -0.919   2.715
   48    HD2  PHE   5           2HD      PHE   5  -3.488  -1.587   1.565
   49    HE1  PHE   5           1HE      PHE   5  -8.304  -2.705   1.158
   50    HE2  PHE   5           2HE      PHE   5  -4.219  -3.374   0.008
   51    HZ   PHE   5           HZ       PHE   5  -6.626  -3.933  -0.196
   52    H    ARG   6           H        ARG   6  -5.378   0.605   6.108
   53    HA   ARG   6           HA       ARG   6  -4.889   2.550   7.392
   54   1HB   ARG   6          2HB       ARG   6  -2.987   2.002   8.901
   55   2HB   ARG   6          1HB       ARG   6  -4.052   0.618   8.656
   56   1HG   ARG   6          2HG       ARG   6  -2.533  -0.389   7.100
   57   2HG   ARG   6          1HG       ARG   6  -1.559   1.079   7.004
   58   1HD   ARG   6          2HD       ARG   6  -1.281   0.733   9.603
   59   2HD   ARG   6          1HD       ARG   6  -1.700  -0.948   9.218
   60    HE   ARG   6           HE       ARG   6   0.767   0.399   8.451
   61   1HH1  ARG   6          1HH1      ARG   6   0.070  -2.600   8.982
   62   2HH1  ARG   6          2HH1      ARG   6   0.437  -3.266   7.427
   63   1HH2  ARG   6          1HH2      ARG   6   0.537  -0.187   5.836
   64   2HH2  ARG   6          2HH2      ARG   6   0.703  -1.900   5.645
   65    H    VAL   7           H        VAL   7  -4.411   3.513   4.993
   66    HA   VAL   7           HA       VAL   7  -1.616   4.605   5.056
   67    HB   VAL   7           HB       VAL   7  -3.499   3.846   2.811
   68   1HG1  VAL   7          1HG1      VAL   7  -1.192   5.754   2.847
   69   2HG1  VAL   7          2HG1      VAL   7  -2.682   5.818   1.905
   70   3HG1  VAL   7          3HG1      VAL   7  -1.392   4.708   1.441
   71   1HG2  VAL   7          1HG2      VAL   7  -0.891   2.944   2.340
   72   2HG2  VAL   7          2HG2      VAL   7  -2.240   1.973   2.929
   73   3HG2  VAL   7          3HG2      VAL   7  -1.125   2.720   4.073
   74    H    CYS   8           H        CYS   8  -2.198   6.478   6.283
   75    HA   CYS   8           HA       CYS   8  -4.454   8.160   5.463
   76   1HB   CYS   8          2HB       CYS   8  -2.162   8.822   7.328
   77   2HB   CYS   8          1HB       CYS   8  -3.804   9.463   7.368
   78    H    TYR   9           H        TYR   9  -4.338   9.828   4.010
   79    HA   TYR   9           HA       TYR   9  -1.625  10.627   3.013
   80   1HB   TYR   9          2HB       TYR   9  -4.322  10.186   1.816
   81   2HB   TYR   9          1HB       TYR   9  -3.329  11.459   1.103
   82    HD1  TYR   9           1HD      TYR   9  -0.617  10.488   1.320
   83    HD2  TYR   9           2HD      TYR   9  -4.206   8.301   0.434
   84    HE1  TYR   9           1HE      TYR   9   0.722   8.777   0.125
   85    HE2  TYR   9           2HE      TYR   9  -2.867   6.590  -0.763
   86    HH   TYR   9           HH       TYR   9  -0.499   5.756  -0.727
   87    H    ARG  10           H        ARG  10  -2.656  11.828   5.394
   88    HA   ARG  10           HA       ARG  10  -2.981  13.971   6.309
   89   1HB   ARG  10          2HB       ARG  10  -1.104  14.349   4.658
   90   2HB   ARG  10          1HB       ARG  10  -2.320  14.848   3.481
   91   1HG   ARG  10          2HG       ARG  10  -1.425  16.832   4.571
   92   2HG   ARG  10          1HG       ARG  10  -3.094  16.598   5.093
   93   1HD   ARG  10          2HD       ARG  10  -1.651  15.112   6.948
   94   2HD   ARG  10          1HD       ARG  10  -0.639  16.548   6.691
   95    HE   ARG  10           HE       ARG  10  -2.409  17.908   7.530
   96   1HH1  ARG  10          1HH1      ARG  10  -2.858  15.007   8.828
   97   2HH1  ARG  10          2HH1      ARG  10  -4.590  15.007   8.847
   98   1HH2  ARG  10          1HH2      ARG  10  -4.876  17.765   6.764
   99   2HH2  ARG  10          2HH2      ARG  10  -5.732  16.569   7.679
  100    H    GLY  11           H        GLY  11  -5.352  12.822   5.822
  101   1HA   GLY  11          2HA       GLY  11  -7.379  14.508   5.810
  102   2HA   GLY  11          1HA       GLY  11  -6.941  14.663   4.108
  103    H    PHE  12           H        PHE  12  -6.177  11.875   3.777
  104    HA   PHE  12           HA       PHE  12  -8.801  10.488   4.186
  105   1HB   PHE  12          2HB       PHE  12  -7.261  11.126   1.697
  106   2HB   PHE  12          1HB       PHE  12  -8.166   9.613   1.752
  107    HD1  PHE  12           1HD      PHE  12 -10.639   9.802   2.658
  108    HD2  PHE  12           2HD      PHE  12  -8.370  13.084   1.066
  109    HE1  PHE  12           1HE      PHE  12 -12.741  11.041   2.215
  110    HE2  PHE  12           2HE      PHE  12 -10.472  14.323   0.624
  111    HZ   PHE  12           HZ       PHE  12 -12.658  13.302   1.198
  112    H    CYS  13           H        CYS  13  -8.355   8.640   5.312
  113    HA   CYS  13           HA       CYS  13  -5.825   7.159   4.660
  114   1HB   CYS  13          2HB       CYS  13  -5.855   8.461   6.836
  115   2HB   CYS  13          1HB       CYS  13  -7.172   7.414   7.365
  116    H    TYR  14           H        TYR  14  -6.063   4.954   4.418
  117    HA   TYR  14           HA       TYR  14  -8.850   3.905   4.418
  118   1HB   TYR  14          2HB       TYR  14  -6.533   3.678   2.789
  119   2HB   TYR  14          1HB       TYR  14  -6.839   2.077   3.465
  120    HD1  TYR  14           1HD      TYR  14  -8.516   0.711   2.552
  121    HD2  TYR  14           2HD      TYR  14  -8.572   4.936   1.780
  122    HE1  TYR  14           1HE      TYR  14 -10.396   0.397   0.965
  123    HE2  TYR  14           2HE      TYR  14 -10.450   4.621   0.192
  124    HH   TYR  14           HH       TYR  14 -12.245   1.756   0.016
  125    H    ARG  15           H        ARG  15  -9.127   3.499   6.694
  126    HA   ARG  15           HA       ARG  15  -7.245   1.513   7.908
  127   1HB   ARG  15          2HB       ARG  15  -8.769   3.854   8.798
  128   2HB   ARG  15          1HB       ARG  15  -8.972   2.465   9.867
  129   1HG   ARG  15          2HG       ARG  15  -6.647   2.307  10.291
  130   2HG   ARG  15          1HG       ARG  15  -6.242   3.330   8.912
  131   1HD   ARG  15          2HD       ARG  15  -6.709   5.284  10.053
  132   2HD   ARG  15          1HD       ARG  15  -7.980   4.526  11.034
  133    HE   ARG  15           HE       ARG  15  -5.963   3.237  12.100
  134   1HH1  ARG  15          1HH1      ARG  15  -3.867   4.768  10.632
  135   2HH1  ARG  15          2HH1      ARG  15  -3.478   6.032  11.749
  136   1HH2  ARG  15          1HH2      ARG  15  -6.346   5.596  13.649
  137   2HH2  ARG  15          2HH2      ARG  15  -4.882   6.501  13.458
  138    H    LYS  16           H        LYS  16  -8.351  -0.246   6.668
  139    HA   LYS  16           HA       LYS  16 -11.019  -0.951   7.854
  140   1HB   LYS  16          2HB       LYS  16  -9.814  -1.212   5.102
  141   2HB   LYS  16          1HB       LYS  16 -11.141  -2.265   5.596
  142   1HG   LYS  16          2HG       LYS  16 -11.656   0.516   6.300
  143   2HG   LYS  16          1HG       LYS  16 -11.389   0.318   4.567
  144   1HD   LYS  16          2HD       LYS  16 -13.047  -1.572   4.595
  145   2HD   LYS  16          1HD       LYS  16 -13.397  -1.174   6.277
  146   1HE   LYS  16          2HE       LYS  16 -14.391   0.881   5.722
  147   2HE   LYS  16          1HE       LYS  16 -13.559   0.967   4.156
  148   1HZ   LYS  16          1HZ       LYS  16 -15.737  -0.883   4.953
  149   2HZ   LYS  16          2HZ       LYS  16 -14.781  -1.129   3.570
  150   3HZ   LYS  16          3HZ       LYS  16 -15.754   0.258   3.698
  151    H    CYS  17           H        CYS  17 -10.891  -2.738   9.144
  152    HA   CYS  17           HA       CYS  17  -9.098  -4.978   8.370
  153   1HB   CYS  17          2HB       CYS  17  -8.504  -2.990  10.337
  154   2HB   CYS  17          1HB       CYS  17  -8.809  -4.509  11.181
  155    H    ARG  18           H        ARG  18 -10.603  -6.619   8.323
  156    HA   ARG  18           HA       ARG  18 -12.251  -7.058  10.773
  157   1HB   ARG  18          2HB       ARG  18 -13.199  -5.927   8.411
  158   2HB   ARG  18          1HB       ARG  18 -13.658  -7.624   8.269
  159   1HG   ARG  18          2HG       ARG  18 -15.310  -7.340   9.767
  160   2HG   ARG  18          1HG       ARG  18 -14.159  -6.730  10.958
  161   1HD   ARG  18          2HD       ARG  18 -15.921  -5.043  10.447
  162   2HD   ARG  18          1HD       ARG  18 -14.319  -4.468   9.944
  163    HE   ARG  18           HE       ARG  18 -15.667  -5.973   7.848
  164   1HH1  ARG  18          1HH2      ARG  18 -17.512  -3.706   8.777
  165   2HH1  ARG  18          2HH2      ARG  18 -17.057  -2.447   7.679
  166   1HH2  ARG  18          1HH1      ARG  18 -14.126  -4.010   6.686
  167   2HH2  ARG  18          2HH1      ARG  18 -15.140  -2.619   6.495
  168   1HN   NH2  19          1H        ARG  18 -10.733  -8.905  11.138
  169   2HN   NH2  19          2H        ARG  18 -10.846 -10.308  10.189