*HEADER    ANTIMICROBIAL PROTEIN                   20-DEC-00   1HR1              
*TITLE     STRUCTURE OF AN INDOLICIDIN PEPTIDE DERIVATIVE WITH P-->A             
*TITLE    2 SUBSTITUTION                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INDOLICIDIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OCCURS NATURALLY IN BOS TAURUS. THE SEQUENCE IS             
*SOURCE   5 NATURALLY AMIDATED AT C-TERMINUS.                                    
*KEYWDS    ALPHA-HELIX,CATIONIC ANTIMICROBIAL PEPTIDE                            
*EXPDTA    NMR 15 STRUCTURES                                                     
*AUTHOR    C.L.FRIEDRICH, A.ROZEK, A.PATRZYKAT, R.E.W.HANCOCK                    
*REVDAT   1   03-JAN-01 1HR1    0                                                
assign ( resid   1 and name HG2* ) (resid   1 and name HA   ) 3.9 1.1 1.1
assign ( resid   1 and name HG2* ) (resid   2 and name HA   ) 5.2 1.6 1.7
assign ( resid   2 and name HN   ) (resid   1 and name HA   ) 2.8 0.3 0.3
assign ( resid   2 and name HN   ) (resid   1 and name HB   ) 3.9 0.6 0.6
assign ( resid   2 and name HN   ) (resid   1 and name HG2* ) 4.9 1.4 1.4
assign ( resid   2 and name HN   ) (resid   2 and name HA   ) 3.2 0.4 0.4
assign ( resid   2 and name HN   ) (resid   2 and name HG   ) 4.0 0.6 0.6
assign ( resid   2 and name HN   ) (resid   2 and name HB*  ) 3.4 0.9 0.9
assign ( resid   2 and name HN   ) (resid   2 and name HD2* ) 6.5 2.9 2.9
assign ( resid   2 and name HB*  ) (resid   2 and name HA   ) 3.6 1.0 1.0
assign ( resid   2 and name HD1* ) (resid   2 and name HA   ) 4.0 1.5 1.5
assign ( resid   2 and name HD2* ) (resid   2 and name HA   ) 4.0 1.5 1.5
assign ( resid   3 and name HN   ) (resid   1 and name HG2* ) 5.0 1.5 1.5
assign ( resid   3 and name HN   ) (resid   2 and name HA   ) 2.5 0.2 0.2
assign ( resid   3 and name HN   ) (resid   2 and name HN   ) 4.7 1.0 0.9
assign ( resid   3 and name HN   ) (resid   2 and name HB*  ) 4.1 1.0 1.0
assign ( resid   3 and name HN   ) (resid   2 and name HD2* ) 5.8 2.5 2.5
assign ( resid   3 and name HN   ) (resid   3 and name HA   ) 2.9 0.4 0.4
assign ( resid   3 and name HN   ) (resid   3 and name HB*  ) 3.2 1.0 1.0
assign ( resid   3 and name HB*  ) (resid   2 and name HA   ) 4.8 1.4 1.4
assign ( resid   3 and name HB*  ) (resid   4 and name HA   ) 4.5 1.2 1.2
assign ( resid   4 and name HN   ) (resid   3 and name HA   ) 2.6 0.3 0.3
assign ( resid   4 and name HN   ) (resid   3 and name HN   ) 3.5 0.5 0.5
assign ( resid   4 and name HN   ) (resid   3 and name HB*  ) 3.7 1.1 1.0
assign ( resid   4 and name HN   ) (resid   4 and name HA   ) 2.8 0.4 0.4
assign ( resid   4 and name HN   ) (resid   4 and name HB*  ) 3.0 1.0 1.0
assign ( resid   4 and name HD1  ) (resid   3 and name HA   ) 5.3 1.5 1.5
assign ( resid   4 and name HD1  ) (resid   3 and name HB*  ) 5.4 1.8 1.8
assign ( resid   4 and name HD1  ) (resid   4 and name HA   ) 3.5 0.5 0.4
assign ( resid   4 and name HD1  ) (resid   4 and name HB*  ) 3.1 0.8 0.8
assign ( resid   4 and name HD1  ) (resid   7 and name HB*  ) 5.9 2.1 2.2
assign ( resid   4 and name HE3  ) (resid   4 and name HA   ) 2.7 0.3 0.3
assign ( resid   4 and name HE3  ) (resid   4 and name HB*  ) 3.2 1.0 1.0
assign ( resid   4 and name HE3  ) (resid   5 and name HA   ) 3.5 0.5 0.4
assign ( resid   4 and name HE3  ) (resid   5 and name HE*  ) 4.9 1.3 1.3
assign ( resid   4 and name HE3  ) (resid   7 and name HB*  ) 4.0 1.2 1.2
assign ( resid   5 and name HN   ) (resid   3 and name HA   ) 4.5 0.9 0.8
assign ( resid   5 and name HN   ) (resid   3 and name HB*  ) 4.8 1.4 1.3
assign ( resid   5 and name HN   ) (resid   4 and name HA   ) 3.0 0.4 0.5
assign ( resid   5 and name HN   ) (resid   4 and name HN   ) 3.0 0.3 0.4
assign ( resid   5 and name HN   ) (resid   4 and name HB*  ) 3.2 0.9 0.8
assign ( resid   5 and name HN   ) (resid   5 and name HA   ) 2.9 0.4 0.4
assign ( resid   5 and name HN   ) (resid   5 and name HB*  ) 3.2 1.0 1.0
assign ( resid   5 and name HN   ) (resid   5 and name HG*  ) 3.6 0.9 0.9
assign ( resid   5 and name HD*  ) (resid   5 and name HE*  ) 3.6 1.3 1.3
assign ( resid   6 and name HN   ) (resid   3 and name HA   ) 5.2 1.4 1.3
assign ( resid   6 and name HN   ) (resid   3 and name HB*  ) 5.0 1.5 1.5
assign ( resid   6 and name HN   ) (resid   4 and name HA   ) 3.9 0.6 0.6
assign ( resid   6 and name HN   ) (resid   5 and name HA   ) 3.1 0.4 0.4
assign ( resid   6 and name HN   ) (resid   5 and name HB*  ) 3.4 0.9 0.9
assign ( resid   6 and name HN   ) (resid   5 and name HG*  ) 4.0 1.0 1.0
assign ( resid   6 and name HN   ) (resid   6 and name HA   ) 3.1 0.4 0.4
assign ( resid   6 and name HN   ) (resid   6 and name HB1  ) 2.9 0.6 0.6
assign ( resid   6 and name HN   ) (resid   6 and name HB2  ) 2.9 0.6 0.6
assign ( resid   6 and name HN   ) (resid   7 and name HN   ) 2.9 0.4 0.4
assign ( resid   6 and name HD1  ) (resid   3 and name HA   ) 3.6 0.5 0.5
assign ( resid   6 and name HD1  ) (resid   3 and name HB*  ) 4.4 1.2 1.2
assign ( resid   6 and name HD1  ) (resid   6 and name HA   ) 3.5 0.6 0.6
assign ( resid   6 and name HD1  ) (resid   6 and name HB1  ) 3.1 0.5 0.5
assign ( resid   6 and name HD1  ) (resid   6 and name HB2  ) 3.1 0.5 0.5
assign ( resid   6 and name HE3  ) (resid   6 and name HA   ) 2.9 0.4 0.4
assign ( resid   6 and name HE3  ) (resid   6 and name HB2  ) 3.6 1.2 1.2
assign ( resid   6 and name HE3  ) (resid   7 and name HA   ) 3.7 0.5 0.5
assign ( resid   7 and name HN   ) (resid   4 and name HA   ) 3.8 0.6 0.6
assign ( resid   7 and name HN   ) (resid   5 and name HA   ) 4.0 0.6 0.7
assign ( resid   7 and name HN   ) (resid   6 and name HA   ) 3.9 0.6 0.6
assign ( resid   7 and name HN   ) (resid   7 and name HA   ) 2.9 0.4 0.4
assign ( resid   7 and name HN   ) (resid   7 and name HB*  ) 3.2 1.1 1.0
assign ( resid   7 and name HB*  ) (resid   4 and name HA   ) 3.6 1.1 1.1
assign ( resid   8 and name HN   ) (resid   5 and name HA   ) 3.5 0.5 0.5
assign ( resid   8 and name HN   ) (resid   7 and name HA   ) 3.0 0.4 0.5
assign ( resid   8 and name HN   ) (resid   7 and name HB*  ) 3.4 1.1 1.1
assign ( resid   8 and name HN   ) (resid   8 and name HA   ) 2.9 0.4 0.4
assign ( resid   8 and name HB1  ) (resid   5 and name HA   ) 3.2 0.4 0.4
assign ( resid   8 and name HB2  ) (resid   5 and name HA   ) 3.2 0.4 0.4
assign ( resid   8 and name HD1  ) (resid   8 and name HA   ) 4.0 0.8 0.8
assign ( resid   8 and name HD1  ) (resid   8 and name HB1  ) 3.1 0.5 0.5
assign ( resid   8 and name HD1  ) (resid   8 and name HB2  ) 3.1 0.5 0.5
assign ( resid   8 and name HD1  ) (resid  12 and name HG*  ) 4.5 1.2 1.2
assign ( resid   8 and name HD1  ) (resid  12 and name HD*  ) 4.8 1.2 1.2
assign ( resid   8 and name HD1  ) (resid   9 and name HA   ) 4.5 0.9 0.9
assign ( resid   8 and name HE3  ) (resid   8 and name HA   ) 2.7 0.4 0.4
assign ( resid   8 and name HE3  ) (resid   8 and name HB1  ) 3.4 0.9 0.9
assign ( resid   8 and name HE3  ) (resid   8 and name HB2  ) 3.4 0.9 0.9
assign ( resid   8 and name HE3  ) (resid   9 and name HA   ) 4.3 0.8 0.9
assign ( resid   8 and name HZ2  ) (resid  12 and name HG*  ) 4.2 1.0 0.9
assign ( resid   9 and name HN   ) (resid   6 and name HA   ) 3.9 0.5 0.5
assign ( resid   9 and name HN   ) (resid   9 and name HA   ) 2.9 0.4 0.4
assign ( resid   9 and name HN   ) (resid   8 and name HA   ) 3.8 1.2 1.2
assign ( resid   9 and name HN   ) (resid  10 and name HN   ) 3.0 0.3 0.4
assign ( resid   9 and name HB1  ) (resid   9 and name HA   ) 2.9 0.4 0.4
assign ( resid   9 and name HB2  ) (resid   9 and name HA   ) 2.9 0.4 0.4
assign ( resid   9 and name HD1  ) (resid   9 and name HA   ) 2.9 0.3 0.3
assign ( resid   9 and name HD1  ) (resid   9 and name HB1  ) 3.5 0.5 0.5
assign ( resid   9 and name HD1  ) (resid   9 and name HB2  ) 3.3 0.7 0.7
assign ( resid   9 and name HE3  ) (resid   9 and name HA   ) 3.6 0.5 0.5
assign ( resid   9 and name HE3  ) (resid  10 and name HA   ) 3.2 0.4 0.4
assign ( resid   9 and name HE3  ) (resid  10 and name HB*  ) 3.6 1.1 1.1
assign ( resid   9 and name HZ3  ) (resid  10 and name HA   ) 4.2 0.8 0.8
assign ( resid   9 and name HZ3  ) (resid  10 and name HB*  ) 4.5 1.2 1.2
assign ( resid  10 and name HN   ) (resid   7 and name HA   ) 3.6 0.5 0.5
assign ( resid  10 and name HN   ) (resid   8 and name HA   ) 4.2 0.8 0.8
assign ( resid  10 and name HN   ) (resid   9 and name HA   ) 3.3 0.4 0.5
assign ( resid  10 and name HN   ) (resid   9 and name HB1  ) 3.9 1.2 1.2
assign ( resid  10 and name HN   ) (resid  10 and name HA   ) 3.0 0.4 0.3
assign ( resid  10 and name HN   ) (resid  10 and name HB*  ) 3.4 1.1 1.1
assign ( resid  10 and name HB*  ) (resid   7 and name HA   ) 3.5 1.1 1.1
assign ( resid  11 and name HN   ) (resid   8 and name HA   ) 3.5 0.5 0.5
assign ( resid  11 and name HN   ) (resid   9 and name HA   ) 4.8 1.1 1.1
assign ( resid  11 and name HN   ) (resid  10 and name HA   ) 3.5 0.5 0.4
assign ( resid  11 and name HN   ) (resid  10 and name HB*  ) 3.7 1.1 1.1
assign ( resid  11 and name HN   ) (resid  11 and name HA   ) 3.0 0.4 0.3
assign ( resid  11 and name HN   ) (resid  11 and name HB*  ) 2.8 0.8 0.8
assign ( resid  11 and name HD1  ) (resid  11 and name HA   ) 3.8 1.0 1.0
assign ( resid  11 and name HD1  ) (resid  11 and name HB*  ) 3.5 0.9 0.8
assign ( resid  11 and name HD1  ) (resid  12 and name HA   ) 3.9 0.6 0.6
assign ( resid  11 and name HD1  ) (resid  12 and name HD*  ) 4.1 1.0 1.0
assign ( resid  11 and name HD1  ) (resid  12 and name HG*  ) 3.8 0.9 0.9
assign ( resid  11 and name HE3  ) (resid  11 and name HA   ) 3.0 0.5 0.5
assign ( resid  11 and name HE3  ) (resid  11 and name HB*  ) 3.1 0.9 0.9
assign ( resid  11 and name HE3  ) (resid  12 and name HA   ) 4.1 0.6 0.6
assign ( resid  11 and name HE3  ) (resid  12 and name HG*  ) 4.3 1.1 1.1
assign ( resid  12 and name HE   ) (resid  12 and name HA   ) 5.0 1.0 1.0
assign ( resid  12 and name HE   ) (resid  12 and name HB1  ) 4.6 1.4 1.3
assign ( resid  12 and name HE   ) (resid  12 and name HD*  ) 4.0 1.4 1.5
assign ( resid  12 and name HE   ) (resid  12 and name HG*  ) 3.8 0.9 0.9
assign ( resid  12 and name HN   ) (resid   8 and name HA   ) 4.3 0.7 0.8
assign ( resid  12 and name HN   ) (resid   9 and name HA   ) 3.5 0.4 0.5
assign ( resid  12 and name HN   ) (resid  11 and name HA   ) 3.3 0.4 0.4
assign ( resid  12 and name HN   ) (resid  11 and name HN   ) 3.0 0.4 0.3
assign ( resid  12 and name HN   ) (resid  11 and name HB*  ) 3.2 1.0 1.0
assign ( resid  12 and name HN   ) (resid  12 and name HA   ) 3.0 0.4 0.3
assign ( resid  12 and name HN   ) (resid  12 and name HB1  ) 3.0 0.7 0.6
assign ( resid  12 and name HN   ) (resid  12 and name HB2  ) 3.0 0.7 0.6
assign ( resid  12 and name HN   ) (resid  12 and name HG*  ) 3.4 0.9 0.9
assign ( resid  12 and name HB1  ) (resid   9 and name HA   ) 3.8 0.8 0.8
assign ( resid  12 and name HB1  ) (resid  12 and name HA   ) 2.8 0.4 0.4
assign ( resid  12 and name HB1  ) (resid  12 and name HD*  ) 4.9 1.8 1.8
assign ( resid  12 and name HB2  ) (resid   9 and name HA   ) 3.8 0.8 0.8
assign ( resid  12 and name HB2  ) (resid  12 and name HA   ) 2.8 0.4 0.4
assign ( resid  12 and name HD*  ) (resid  12 and name HA   ) 4.0 0.9 1.0
assign ( resid  12 and name HG*  ) (resid   9 and name HA   ) 4.4 1.1 1.2
assign ( resid  12 and name HG*  ) (resid  12 and name HA   ) 3.4 0.9 0.9
assign ( resid  12 and name HH*  ) (resid  12 and name HD*  ) 4.8 2.0 2.1
assign ( resid  13 and name HE   ) (resid  13 and name HD*  ) 3.5 0.9 0.8
assign ( resid  13 and name HE   ) (resid  13 and name HG*  ) 4.5 1.1 1.0
assign ( resid  13 and name HN   ) (resid  10 and name HA   ) 3.9 0.6 0.6
assign ( resid  13 and name HN   ) (resid  11 and name HA   ) 5.2 1.4 1.3
assign ( resid  13 and name HN   ) (resid  12 and name HA   ) 3.2 0.4 0.4
assign ( resid  13 and name HN   ) (resid  12 and name HN   ) 3.1 0.4 0.4
assign ( resid  13 and name HN   ) (resid  12 and name HG*  ) 4.9 1.3 1.3
assign ( resid  13 and name HN   ) (resid  13 and name HA   ) 3.0 0.4 0.3
assign ( resid  13 and name HN   ) (resid  13 and name HB1  ) 2.7 0.5 0.5
assign ( resid  13 and name HN   ) (resid  13 and name HB2  ) 2.7 0.5 0.5
assign ( resid  13 and name HN   ) (resid  13 and name HG*  ) 3.6 0.9 0.9
assign ( resid  13 and name HB1  ) (resid  10 and name HA   ) 3.6 0.6 0.6
assign ( resid  13 and name HB1  ) (resid  13 and name HD*  ) 5.2 1.9 1.8
assign ( resid  13 and name HB2  ) (resid  10 and name HA   ) 3.6 0.6 0.6
assign ( resid  13 and name HD*  ) (resid  10 and name HA   ) 4.5 1.1 1.2
assign ( resid  13 and name HD*  ) (resid  13 and name HA   ) 3.6 0.9 0.9
assign ( resid  13 and name HG*  ) (resid  13 and name HA   ) 3.2 0.9 0.8
assign ( resid  13 and name HG*  ) (resid  13 and name HD*  ) 3.8 1.4 1.3
assign ( resid  13 and name HH*  ) (resid  13 and name HD*  ) 5.3 2.2 2.2
assign ( resid  13 and name H2   ) (resid  11 and name HA   ) 4.6 0.9 0.9
assign ( resid  13 and name H2   ) (resid  13 and name HA   ) 4.0 1.2 1.2
assign ( resid  13 and name H2   ) (resid  13 and name HB1  ) 5.5 2.2 2.2
assign ( resid  13 and name H2   ) (resid  13 and name HG*  ) 5.2 1.9 1.8
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ILE   1          1H        ILE   1 -12.099   1.815   9.606
    2   2H    ILE   1          2H        ILE   1 -13.289   0.712  10.108
    3   3H    ILE   1          3H        ILE   1 -13.488   1.581   8.663
    4    HA   ILE   1           HA       ILE   1 -11.241  -0.315   9.082
    5    HB   ILE   1           HB       ILE   1 -13.512  -1.331   9.421
    6   1HG1  ILE   1          2HG1      ILE   1 -13.037  -2.659   6.965
    7   2HG1  ILE   1          1HG1      ILE   1 -11.464  -2.102   7.536
    8   1HG2  ILE   1          1HG2      ILE   1 -15.099  -1.368   7.610
    9   2HG2  ILE   1          2HG2      ILE   1 -13.956  -0.587   6.518
   10   3HG2  ILE   1          3HG2      ILE   1 -14.645   0.317   7.866
   11   1HD1  ILE   1          1HD1      ILE   1 -13.457  -3.655   9.213
   12   2HD1  ILE   1          2HD1      ILE   1 -11.835  -3.168   9.704
   13   3HD1  ILE   1          3HD1      ILE   1 -12.048  -4.359   8.420
   14    H    LEU   2           H        LEU   2 -11.619   2.403   7.748
   15    HA   LEU   2           HA       LEU   2 -11.607   1.784   4.866
   16   1HB   LEU   2          2HB       LEU   2 -11.845   4.078   6.664
   17   2HB   LEU   2          1HB       LEU   2 -10.806   4.423   5.281
   18    HG   LEU   2           HG       LEU   2 -13.629   3.320   5.164
   19   1HD1  LEU   2          1HD1      LEU   2 -12.633   5.917   4.002
   20   2HD1  LEU   2          2HD1      LEU   2 -13.163   5.827   5.682
   21   3HD1  LEU   2          3HD1      LEU   2 -14.288   5.442   4.381
   22   1HD2  LEU   2          1HD2      LEU   2 -11.528   2.930   3.364
   23   2HD2  LEU   2          2HD2      LEU   2 -12.437   4.277   2.679
   24   3HD2  LEU   2          3HD2      LEU   2 -13.246   2.746   3.011
   25    H    ALA   3           H        ALA   3  -9.694   0.508   4.565
   26    HA   ALA   3           HA       ALA   3  -7.291   1.800   3.944
   27   1HB   ALA   3          1HB       ALA   3  -7.686   1.134   6.824
   28   2HB   ALA   3          2HB       ALA   3  -6.773   2.455   6.093
   29   3HB   ALA   3          3HB       ALA   3  -6.086   0.832   6.146
   30    H    TRP   4           H        TRP   4  -5.930   0.309   2.971
   31    HA   TRP   4           HA       TRP   4  -5.491  -2.392   3.658
   32   1HB   TRP   4          2HB       TRP   4  -8.117  -1.915   2.753
   33   2HB   TRP   4          1HB       TRP   4  -7.289  -2.686   1.399
   34    HD1  TRP   4           HD1      TRP   4  -9.149  -3.572   4.361
   35    HE1  TRP   4           1HE      TRP   4  -8.646  -5.984   5.123
   36    HE3  TRP   4           3HE      TRP   4  -4.924  -4.489   1.644
   37    HZ2  TRP   4           2HZ      TRP   4  -6.705  -8.030   4.641
   38    HZ3  TRP   4           3HZ      TRP   4  -3.769  -6.675   1.815
   39    HH2  TRP   4           HH2      TRP   4  -4.653  -8.444   3.310
   40    H    LYS   5           H        LYS   5  -6.433  -0.761   0.625
   41    HA   LYS   5           HA       LYS   5  -4.251  -1.875  -0.910
   42   1HB   LYS   5          2HB       LYS   5  -6.531  -0.939  -1.652
   43   2HB   LYS   5          1HB       LYS   5  -5.807   0.660  -1.472
   44   1HG   LYS   5          2HG       LYS   5  -5.130   0.373  -3.621
   45   2HG   LYS   5          1HG       LYS   5  -3.885  -0.662  -2.922
   46   1HD   LYS   5          2HD       LYS   5  -6.336  -2.155  -3.177
   47   2HD   LYS   5          1HD       LYS   5  -5.931  -1.418  -4.728
   48   1HE   LYS   5          2HE       LYS   5  -3.496  -2.410  -3.634
   49   2HE   LYS   5          1HE       LYS   5  -4.706  -3.701  -3.488
   50   1HZ   LYS   5          1HZ       LYS   5  -5.194  -3.614  -5.744
   51   2HZ   LYS   5          2HZ       LYS   5  -3.505  -3.437  -5.723
   52   3HZ   LYS   5          3HZ       LYS   5  -4.502  -2.080  -5.948
   53    H    TRP   6           H        TRP   6  -4.276   0.453   1.508
   54    HA   TRP   6           HA       TRP   6  -2.219   2.232   0.369
   55   1HB   TRP   6          2HB       TRP   6  -4.144   2.334   2.450
   56   2HB   TRP   6          1HB       TRP   6  -2.573   2.409   3.241
   57    HD1  TRP   6           HD1      TRP   6  -4.980   4.716   2.166
   58    HE1  TRP   6           1HE      TRP   6  -3.969   6.934   1.325
   59    HE3  TRP   6           3HE      TRP   6  -0.140   3.258   1.426
   60    HZ2  TRP   6           2HZ      TRP   6  -1.443   7.954   0.453
   61    HZ3  TRP   6           3HZ      TRP   6   1.545   4.871   0.590
   62    HH2  TRP   6           HH2      TRP   6   0.900   7.215   0.103
   63    H    ALA   7           H        ALA   7  -2.409  -0.167   3.018
   64    HA   ALA   7           HA       ALA   7   0.248  -0.114   3.915
   65   1HB   ALA   7          1HB       ALA   7  -2.008  -2.039   3.781
   66   2HB   ALA   7          2HB       ALA   7  -1.067  -1.509   5.176
   67   3HB   ALA   7          3HB       ALA   7  -0.423  -2.747   4.097
   68    H    TRP   8           H        TRP   8  -1.052  -1.421   0.932
   69    HA   TRP   8           HA       TRP   8   0.887  -3.280   0.136
   70   1HB   TRP   8          2HB       TRP   8  -0.976  -2.938  -1.268
   71   2HB   TRP   8          1HB       TRP   8  -0.763  -1.191  -1.278
   72    HD1  TRP   8           HD1      TRP   8   0.244  -0.304  -3.452
   73    HE1  TRP   8           1HE      TRP   8   1.731  -1.242  -5.327
   74    HE3  TRP   8           3HE      TRP   8   1.200  -4.918  -1.563
   75    HZ2  TRP   8           2HZ      TRP   8   3.148  -3.648  -5.945
   76    HZ3  TRP   8           3HZ      TRP   8   2.618  -6.531  -2.806
   77    HH2  TRP   8           HH2      TRP   8   3.600  -5.897  -4.994
   78    H    TRP   9           H        TRP   9   0.985  -0.167  -1.469
   79    HA   TRP   9           HA       TRP   9   3.620  -0.117  -2.171
   80   1HB   TRP   9          2HB       TRP   9   1.787   1.518  -2.715
   81   2HB   TRP   9          1HB       TRP   9   2.071   2.271  -1.145
   82    HD1  TRP   9           HD1      TRP   9   3.527   1.966  -4.625
   83    HE1  TRP   9           1HE      TRP   9   5.567   3.538  -4.823
   84    HE3  TRP   9           3HE      TRP   9   4.020   3.331   0.232
   85    HZ2  TRP   9           2HZ      TRP   9   7.200   5.167  -3.109
   86    HZ3  TRP   9           3HZ      TRP   9   5.814   4.883   0.953
   87    HH2  TRP   9           HH2      TRP   9   7.407   5.806  -0.716
   88    H    ALA  10           H        ALA  10   2.377   0.360   1.069
   89    HA   ALA  10           HA       ALA  10   4.695   1.633   2.225
   90   1HB   ALA  10          1HB       ALA  10   3.560   1.234   4.243
   91   2HB   ALA  10          2HB       ALA  10   2.870  -0.281   3.661
   92   3HB   ALA  10          3HB       ALA  10   2.246   1.259   3.067
   93    H    TRP  11           H        TRP  11   3.851  -1.716   1.517
   94    HA   TRP  11           HA       TRP  11   5.979  -2.925   3.070
   95   1HB   TRP  11          2HB       TRP  11   4.915  -4.827   2.367
   96   2HB   TRP  11          1HB       TRP  11   3.695  -3.725   1.737
   97    HD1  TRP  11           HD1      TRP  11   3.401  -3.609  -0.834
   98    HE1  TRP  11           1HE      TRP  11   4.567  -4.723  -2.840
   99    HE3  TRP  11           3HE      TRP  11   7.372  -5.743   1.531
  100    HZ2  TRP  11           2HZ      TRP  11   6.876  -6.319  -3.375
  101    HZ3  TRP  11           3HZ      TRP  11   9.045  -7.057   0.258
  102    HH2  TRP  11           HH2      TRP  11   8.803  -7.346  -2.193
  103    H    ARG  12           H        ARG  12   5.575  -2.117  -0.367
  104    HA   ARG  12           HA       ARG  12   7.900  -3.121  -1.489
  105   1HB   ARG  12          2HB       ARG  12   6.542  -0.446  -1.940
  106   2HB   ARG  12          1HB       ARG  12   7.688  -1.177  -3.059
  107   1HG   ARG  12          2HG       ARG  12   6.126  -3.240  -3.039
  108   2HG   ARG  12          1HG       ARG  12   4.934  -2.175  -2.295
  109   1HD   ARG  12          2HD       ARG  12   6.180  -1.953  -5.045
  110   2HD   ARG  12          1HD       ARG  12   4.460  -1.982  -4.607
  111    HE   ARG  12           HE       ARG  12   4.786   0.264  -3.576
  112   1HH1  ARG  12          1HH2      ARG  12   6.040  -0.308  -6.544
  113   2HH1  ARG  12          2HH2      ARG  12   7.252   0.928  -6.509
  114   1HH2  ARG  12          2HH1      ARG  12   6.872   1.577  -3.123
  115   2HH2  ARG  12          1HH1      ARG  12   7.723   1.996  -4.572
  116    H    ARG  13           H        ARG  13   7.554  -0.141   0.421
  117    HA   ARG  13           HA       ARG  13  10.166   0.923   0.041
  118   1HB   ARG  13          2HB       ARG  13   8.443   2.239   1.042
  119   2HB   ARG  13          1HB       ARG  13   8.126   1.017   2.274
  120   1HG   ARG  13          2HG       ARG  13   9.638   1.973   3.633
  121   2HG   ARG  13          1HG       ARG  13  10.893   1.736   2.416
  122   1HD   ARG  13          2HD       ARG  13   8.941   4.032   2.166
  123   2HD   ARG  13          1HD       ARG  13  10.403   4.183   3.162
  124    HE   ARG  13           HE       ARG  13  10.357   3.759   0.220
  125   1HH1  ARG  13          1HH1      ARG  13  11.859   6.002   1.500
  126   2HH1  ARG  13          2HH1      ARG  13  13.485   5.404   1.499
  127   1HH2  ARG  13          1HH2      ARG  13  12.555   2.111   0.946
  128   2HH2  ARG  13          2HH2      ARG  13  13.879   3.201   1.186
  129   1HN   NH2  14          1HN       NH2  14   9.082  -0.798   3.033
  130   2HN   NH2  14          2HN       NH2  14  10.576  -1.550   3.328
  Start of MODEL    2
    1   1H    ILE   1          1H        ILE   1 -10.896   7.692   4.492
    2   2H    ILE   1          2H        ILE   1 -12.518   7.490   4.029
    3   3H    ILE   1          3H        ILE   1 -11.296   6.588   3.269
    4    HA   ILE   1           HA       ILE   1 -11.819   6.359   6.180
    5    HB   ILE   1           HB       ILE   1 -13.081   4.958   3.803
    6   1HG1  ILE   1          2HG1      ILE   1 -14.852   5.852   5.911
    7   2HG1  ILE   1          1HG1      ILE   1 -13.849   7.191   5.355
    8   1HG2  ILE   1          1HG2      ILE   1 -12.812   3.156   5.233
    9   2HG2  ILE   1          2HG2      ILE   1 -14.319   3.819   5.866
   10   3HG2  ILE   1          3HG2      ILE   1 -12.792   4.170   6.675
   11   1HD1  ILE   1          1HD1      ILE   1 -15.353   5.353   3.477
   12   2HD1  ILE   1          2HD1      ILE   1 -14.541   6.865   3.071
   13   3HD1  ILE   1          3HD1      ILE   1 -16.002   6.886   4.059
   14    H    LEU   2           H        LEU   2  -9.295   6.292   5.718
   15    HA   LEU   2           HA       LEU   2  -8.227   3.930   4.409
   16   1HB   LEU   2          2HB       LEU   2  -7.344   6.366   5.665
   17   2HB   LEU   2          1HB       LEU   2  -6.412   5.014   6.310
   18    HG   LEU   2           HG       LEU   2  -5.389   5.997   4.253
   19   1HD1  LEU   2          1HD1      LEU   2  -5.313   3.764   2.982
   20   2HD1  LEU   2          2HD1      LEU   2  -6.425   3.157   4.209
   21   3HD1  LEU   2          3HD1      LEU   2  -4.821   3.726   4.674
   22   1HD2  LEU   2          1HD2      LEU   2  -7.947   6.232   3.356
   23   2HD2  LEU   2          2HD2      LEU   2  -7.463   4.746   2.540
   24   3HD2  LEU   2          3HD2      LEU   2  -6.543   6.229   2.290
   25    H    ALA   3           H        ALA   3  -7.448   2.015   5.418
   26    HA   ALA   3           HA       ALA   3  -7.150   1.478   8.157
   27   1HB   ALA   3          1HB       ALA   3  -9.964   1.433   7.109
   28   2HB   ALA   3          2HB       ALA   3  -9.365   2.012   8.664
   29   3HB   ALA   3          3HB       ALA   3  -9.505   0.280   8.362
   30    H    TRP   4           H        TRP   4  -6.327  -0.605   8.314
   31    HA   TRP   4           HA       TRP   4  -5.886  -2.870   7.753
   32   1HB   TRP   4          2HB       TRP   4  -8.451  -2.379   6.837
   33   2HB   TRP   4          1HB       TRP   4  -7.617  -2.921   5.380
   34    HD1  TRP   4           HD1      TRP   4  -9.499  -4.304   8.096
   35    HE1  TRP   4           1HE      TRP   4  -8.921  -6.781   8.523
   36    HE3  TRP   4           3HE      TRP   4  -5.135  -4.654   5.470
   37    HZ2  TRP   4           2HZ      TRP   4  -6.874  -8.661   7.842
   38    HZ3  TRP   4           3HZ      TRP   4  -3.893  -6.797   5.376
   39    HH2  TRP   4           HH2      TRP   4  -4.755  -8.798   6.558
   40    H    LYS   5           H        LYS   5  -6.453  -0.841   4.870
   41    HA   LYS   5           HA       LYS   5  -4.271  -2.066   3.372
   42   1HB   LYS   5          2HB       LYS   5  -6.065   0.353   3.056
   43   2HB   LYS   5          1HB       LYS   5  -4.809  -0.031   1.880
   44   1HG   LYS   5          2HG       LYS   5  -6.717  -2.189   2.708
   45   2HG   LYS   5          1HG       LYS   5  -7.262  -0.967   1.559
   46   1HD   LYS   5          2HD       LYS   5  -5.823  -1.674  -0.090
   47   2HD   LYS   5          1HD       LYS   5  -4.591  -2.191   1.062
   48   1HE   LYS   5          2HE       LYS   5  -7.159  -3.705   1.118
   49   2HE   LYS   5          1HE       LYS   5  -6.108  -3.967  -0.288
   50   1HZ   LYS   5          1HZ       LYS   5  -5.629  -5.358   1.773
   51   2HZ   LYS   5          2HZ       LYS   5  -5.037  -3.925   2.470
   52   3HZ   LYS   5          3HZ       LYS   5  -4.314  -4.554   1.066
   53    H    TRP   6           H        TRP   6  -4.270  -0.068   6.004
   54    HA   TRP   6           HA       TRP   6  -2.079   1.733   5.160
   55   1HB   TRP   6          2HB       TRP   6  -4.131   1.719   7.133
   56   2HB   TRP   6          1HB       TRP   6  -2.603   1.670   8.004
   57    HD1  TRP   6           HD1      TRP   6  -4.894   4.135   6.946
   58    HE1  TRP   6           1HE      TRP   6  -3.763   6.386   6.391
   59    HE3  TRP   6           3HE      TRP   6  -0.037   2.605   6.507
   60    HZ2  TRP   6           2HZ      TRP   6  -1.148   7.403   5.835
   61    HZ3  TRP   6           3HZ      TRP   6   1.750   4.236   5.964
   62    HH2  TRP   6           HH2      TRP   6   1.201   6.631   5.628
   63    H    ALA   7           H        ALA   7  -2.565  -0.854   7.591
   64    HA   ALA   7           HA       ALA   7   0.035  -1.047   8.616
   65   1HB   ALA   7          1HB       ALA   7  -2.375  -2.686   8.337
   66   2HB   ALA   7          2HB       ALA   7  -1.275  -2.547   9.708
   67   3HB   ALA   7          3HB       ALA   7  -0.908  -3.665   8.394
   68    H    TRP   8           H        TRP   8  -1.143  -1.960   5.450
   69    HA   TRP   8           HA       TRP   8   0.826  -3.866   4.677
   70   1HB   TRP   8          2HB       TRP   8  -1.058  -3.547   3.281
   71   2HB   TRP   8          1HB       TRP   8  -0.857  -1.798   3.266
   72    HD1  TRP   8           HD1      TRP   8   0.119  -0.935   1.065
   73    HE1  TRP   8           1HE      TRP   8   1.649  -1.868  -0.779
   74    HE3  TRP   8           3HE      TRP   8   1.200  -5.472   3.063
   75    HZ2  TRP   8           2HZ      TRP   8   3.143  -4.246  -1.333
   76    HZ3  TRP   8           3HZ      TRP   8   2.676  -7.071   1.870
   77    HH2  TRP   8           HH2      TRP   8   3.656  -6.456  -0.326
   78    H    TRP   9           H        TRP   9   0.846  -0.757   3.073
   79    HA   TRP   9           HA       TRP   9   3.484  -0.591   2.426
   80   1HB   TRP   9          2HB       TRP   9   1.592   0.976   1.876
   81   2HB   TRP   9          1HB       TRP   9   1.830   1.724   3.456
   82    HD1  TRP   9           HD1      TRP   9   3.332   1.509  -0.012
   83    HE1  TRP   9           1HE      TRP   9   5.304   3.168  -0.176
   84    HE3  TRP   9           3HE      TRP   9   3.719   2.856   4.861
   85    HZ2  TRP   9           2HZ      TRP   9   6.847   4.854   1.566
   86    HZ3  TRP   9           3HZ      TRP   9   5.435   4.480   5.611
   87    HH2  TRP   9           HH2      TRP   9   7.002   5.484   3.965
   88    H    ALA  10           H        ALA  10   2.166  -0.166   5.650
   89    HA   ALA  10           HA       ALA  10   4.428   1.163   6.851
   90   1HB   ALA  10          1HB       ALA  10   2.737   1.227   8.357
   91   2HB   ALA  10          2HB       ALA  10   3.200  -0.419   8.789
   92   3HB   ALA  10          3HB       ALA  10   1.924  -0.144   7.602
   93    H    TRP  11           H        TRP  11   3.647  -2.227   6.203
   94    HA   TRP  11           HA       TRP  11   5.788  -3.374   7.768
   95   1HB   TRP  11          2HB       TRP  11   4.803  -5.306   7.022
   96   2HB   TRP  11          1HB       TRP  11   3.562  -4.236   6.379
   97    HD1  TRP  11           HD1      TRP  11   3.307  -4.115   3.805
   98    HE1  TRP  11           1HE      TRP  11   4.552  -5.165   1.811
   99    HE3  TRP  11           3HE      TRP  11   7.316  -6.115   6.225
  100    HZ2  TRP  11           2HZ      TRP  11   6.934  -6.663   1.307
  101    HZ3  TRP  11           3HZ      TRP  11   9.063  -7.348   4.973
  102    HH2  TRP  11           HH2      TRP  11   8.878  -7.623   2.515
  103    H    ARG  12           H        ARG  12   5.433  -2.533   4.341
  104    HA   ARG  12           HA       ARG  12   7.795  -3.455   3.234
  105   1HB   ARG  12          2HB       ARG  12   6.413  -0.784   2.827
  106   2HB   ARG  12          1HB       ARG  12   7.550  -1.507   1.693
  107   1HG   ARG  12          2HG       ARG  12   6.058  -3.474   1.450
  108   2HG   ARG  12          1HG       ARG  12   4.910  -2.735   2.565
  109   1HD   ARG  12          2HD       ARG  12   4.074  -2.148   0.420
  110   2HD   ARG  12          1HD       ARG  12   4.974  -0.702   0.920
  111    HE   ARG  12           HE       ARG  12   6.131  -2.822  -0.853
  112   1HH1  ARG  12          2HH1      ARG  12   5.100   0.364  -0.706
  113   2HH1  ARG  12          1HH1      ARG  12   6.529   1.046  -1.406
  114   1HH2  ARG  12          1HH2      ARG  12   8.307  -1.930  -1.334
  115   2HH2  ARG  12          2HH2      ARG  12   8.345  -0.251  -1.760
  116    H    ARG  13           H        ARG  13   7.389  -0.772   5.473
  117    HA   ARG  13           HA       ARG  13  10.195   0.120   5.111
  118   1HB   ARG  13          2HB       ARG  13   7.950   1.485   5.501
  119   2HB   ARG  13          1HB       ARG  13   8.303   1.152   7.197
  120   1HG   ARG  13          2HG       ARG  13   9.847   2.784   7.213
  121   2HG   ARG  13          1HG       ARG  13  10.731   1.970   5.921
  122   1HD   ARG  13          2HD       ARG  13   8.279   3.627   5.289
  123   2HD   ARG  13          1HD       ARG  13   9.878   4.384   5.440
  124    HE   ARG  13           HE       ARG  13  10.430   3.395   3.356
  125   1HH1  ARG  13          1HH1      ARG  13   7.300   2.664   3.539
  126   2HH1  ARG  13          2HH1      ARG  13   7.387   1.054   2.907
  127   1HH2  ARG  13          1HH2      ARG  13  10.839   0.856   3.163
  128   2HH2  ARG  13          2HH2      ARG  13   9.391   0.030   2.695
  129   1HN   NH2  14          1HN       NH2  14   8.218  -0.657   8.042
  130   2HN   NH2  14          2HN       NH2  14   9.474  -1.443   8.869
  Start of MODEL    3
    1   1H    ILE   1          1H        ILE   1 -12.126   1.136   9.176
    2   2H    ILE   1          2H        ILE   1 -13.306   1.195   7.955
    3   3H    ILE   1          3H        ILE   1 -11.913   2.162   7.843
    4    HA   ILE   1           HA       ILE   1 -10.611  -0.030   7.853
    5    HB   ILE   1           HB       ILE   1 -13.425  -0.919   7.136
    6   1HG1  ILE   1          2HG1      ILE   1 -11.730  -1.523   9.583
    7   2HG1  ILE   1          1HG1      ILE   1 -13.139  -0.461   9.558
    8   1HG2  ILE   1          1HG2      ILE   1 -11.823  -2.222   5.914
    9   2HG2  ILE   1          2HG2      ILE   1 -12.310  -3.201   7.297
   10   3HG2  ILE   1          3HG2      ILE   1 -10.764  -2.352   7.319
   11   1HD1  ILE   1          1HD1      ILE   1 -14.518  -2.388   8.753
   12   2HD1  ILE   1          2HD1      ILE   1 -13.826  -2.659  10.352
   13   3HD1  ILE   1          3HD1      ILE   1 -13.106  -3.429   8.938
   14    H    LEU   2           H        LEU   2 -10.194   1.976   6.317
   15    HA   LEU   2           HA       LEU   2 -11.050   1.198   3.547
   16   1HB   LEU   2          2HB       LEU   2 -11.786   3.442   4.925
   17   2HB   LEU   2          1HB       LEU   2 -10.331   4.016   4.108
   18    HG   LEU   2           HG       LEU   2 -11.653   2.579   2.132
   19   1HD1  LEU   2          1HD1      LEU   2 -13.951   3.590   2.172
   20   2HD1  LEU   2          2HD1      LEU   2 -13.632   4.138   3.817
   21   3HD1  LEU   2          3HD1      LEU   2 -13.681   2.412   3.456
   22   1HD2  LEU   2          1HD2      LEU   2 -11.084   5.390   2.815
   23   2HD2  LEU   2          2HD2      LEU   2 -12.430   5.180   1.695
   24   3HD2  LEU   2          3HD2      LEU   2 -10.839   4.532   1.293
   25    H    ALA   3           H        ALA   3  -9.124   0.133   2.934
   26    HA   ALA   3           HA       ALA   3  -6.914   1.582   2.003
   27   1HB   ALA   3          1HB       ALA   3  -6.846   0.819   4.903
   28   2HB   ALA   3          2HB       ALA   3  -6.254   2.285   4.122
   29   3HB   ALA   3          3HB       ALA   3  -5.340   0.783   3.986
   30    H    TRP   4           H        TRP   4  -5.571   0.175   0.881
   31    HA   TRP   4           HA       TRP   4  -4.917  -2.502   1.510
   32   1HB   TRP   4          2HB       TRP   4  -7.632  -2.179   0.895
   33   2HB   TRP   4          1HB       TRP   4  -6.922  -2.841  -0.578
   34    HD1  TRP   4           HD1      TRP   4  -8.391  -3.967   2.513
   35    HE1  TRP   4           1HE      TRP   4  -7.661  -6.367   3.109
   36    HE3  TRP   4           3HE      TRP   4  -4.424  -4.491  -0.658
   37    HZ2  TRP   4           2HZ      TRP   4  -5.656  -8.258   2.340
   38    HZ3  TRP   4           3HZ      TRP   4  -3.123  -6.599  -0.706
   39    HH2  TRP   4           HH2      TRP   4  -3.733  -8.482   0.788
   40    H    LYS   5           H        LYS   5  -6.222  -0.922  -1.416
   41    HA   LYS   5           HA       LYS   5  -4.120  -1.907  -3.143
   42   1HB   LYS   5          2HB       LYS   5  -6.470  -1.183  -3.757
   43   2HB   LYS   5          1HB       LYS   5  -5.956   0.484  -3.494
   44   1HG   LYS   5          2HG       LYS   5  -5.718   0.058  -5.845
   45   2HG   LYS   5          1HG       LYS   5  -4.089   0.054  -5.164
   46   1HD   LYS   5          2HD       LYS   5  -4.061  -1.889  -6.458
   47   2HD   LYS   5          1HD       LYS   5  -4.517  -2.522  -4.876
   48   1HE   LYS   5          2HE       LYS   5  -6.445  -3.314  -5.756
   49   2HE   LYS   5          1HE       LYS   5  -6.904  -1.667  -6.234
   50   1HZ   LYS   5          1HZ       LYS   5  -5.823  -1.860  -8.262
   51   2HZ   LYS   5          2HZ       LYS   5  -6.533  -3.393  -8.079
   52   3HZ   LYS   5          3HZ       LYS   5  -4.878  -3.178  -7.760
   53    H    TRP   6           H        TRP   6  -4.087   0.431  -0.733
   54    HA   TRP   6           HA       TRP   6  -2.256   2.331  -2.048
   55   1HB   TRP   6          2HB       TRP   6  -3.981   2.313   0.204
   56   2HB   TRP   6          1HB       TRP   6  -2.352   2.489   0.848
   57    HD1  TRP   6           HD1      TRP   6  -5.001   4.631  -0.023
   58    HE1  TRP   6           1HE      TRP   6  -4.206   6.911  -0.927
   59    HE3  TRP   6           3HE      TRP   6  -0.139   3.505  -1.128
   60    HZ2  TRP   6           2HZ      TRP   6  -1.827   8.102  -1.979
   61    HZ3  TRP   6           3HZ      TRP   6   1.365   5.230  -2.077
   62    HH2  TRP   6           HH2      TRP   6   0.529   7.524  -2.504
   63    H    ALA   7           H        ALA   7  -2.047  -0.109   0.562
   64    HA   ALA   7           HA       ALA   7   0.674   0.122   1.223
   65   1HB   ALA   7          1HB       ALA   7  -0.640  -2.562   0.934
   66   2HB   ALA   7          2HB       ALA   7  -1.351  -1.386   2.038
   67   3HB   ALA   7          3HB       ALA   7   0.309  -1.929   2.278
   68    H    TRP   8           H        TRP   8  -0.801  -1.190  -1.667
   69    HA   TRP   8           HA       TRP   8   1.129  -2.934  -2.685
   70   1HB   TRP   8          2HB       TRP   8  -0.816  -2.637  -3.953
   71   2HB   TRP   8          1HB       TRP   8  -0.735  -0.882  -3.847
   72    HD1  TRP   8           HD1      TRP   8   0.015   0.234  -6.008
   73    HE1  TRP   8           1HE      TRP   8   1.400  -0.438  -8.067
   74    HE3  TRP   8           3HE      TRP   8   1.451  -4.436  -4.597
   75    HZ2  TRP   8           2HZ      TRP   8   2.924  -2.670  -8.996
   76    HZ3  TRP   8           3HZ      TRP   8   2.870  -5.825  -6.083
   77    HH2  TRP   8           HH2      TRP   8   3.612  -4.946  -8.280
   78    H    TRP   9           H        TRP   9   1.030   0.281  -4.120
   79    HA   TRP   9           HA       TRP   9   3.647   0.423  -4.985
   80   1HB   TRP   9          2HB       TRP   9   1.696   1.993  -5.373
   81   2HB   TRP   9          1HB       TRP   9   2.089   2.740  -3.824
   82    HD1  TRP   9           HD1      TRP   9   3.241   2.514  -7.412
   83    HE1  TRP   9           1HE      TRP   9   5.228   4.125  -7.768
   84    HE3  TRP   9           3HE      TRP   9   4.161   3.819  -2.591
   85    HZ2  TRP   9           2HZ      TRP   9   6.983   5.756  -6.187
   86    HZ3  TRP   9           3HZ      TRP   9   5.988   5.393  -2.020
   87    HH2  TRP   9           HH2      TRP   9   7.402   6.366  -3.815
   88    H    ALA  10           H        ALA  10   2.524   0.739  -1.688
   89    HA   ALA  10           HA       ALA  10   4.922   2.048  -0.659
   90   1HB   ALA  10          1HB       ALA  10   3.869   1.488   1.507
   91   2HB   ALA  10          2HB       ALA  10   2.727   0.432   0.675
   92   3HB   ALA  10          3HB       ALA  10   2.685   2.172   0.393
   93    H    TRP  11           H        TRP  11   3.639  -1.278  -0.225
   94    HA   TRP  11           HA       TRP  11   5.859  -2.459   0.996
   95   1HB   TRP  11          2HB       TRP  11   4.613  -4.340   0.619
   96   2HB   TRP  11          1HB       TRP  11   3.434  -3.238  -0.083
   97    HD1  TRP  11           HD1      TRP  11   2.778  -3.756  -2.485
   98    HE1  TRP  11           1HE      TRP  11   3.777  -5.108  -4.432
   99    HE3  TRP  11           3HE      TRP  11   7.228  -5.080  -0.424
  100    HZ2  TRP  11           2HZ      TRP  11   6.165  -6.556  -5.041
  101    HZ3  TRP  11           3HZ      TRP  11   8.860  -6.442  -1.698
  102    HH2  TRP  11           HH2      TRP  11   8.335  -7.179  -4.007
  103    H    ARG  12           H        ARG  12   5.234  -2.029  -2.462
  104    HA   ARG  12           HA       ARG  12   7.230  -3.319  -3.758
  105   1HB   ARG  12          2HB       ARG  12   6.342  -0.441  -4.069
  106   2HB   ARG  12          1HB       ARG  12   7.283  -1.304  -5.285
  107   1HG   ARG  12          2HG       ARG  12   5.485  -3.050  -5.367
  108   2HG   ARG  12          1HG       ARG  12   4.526  -2.060  -4.267
  109   1HD   ARG  12          2HD       ARG  12   3.703  -1.285  -6.299
  110   2HD   ARG  12          1HD       ARG  12   5.075  -0.178  -6.109
  111    HE   ARG  12           HE       ARG  12   5.187  -2.703  -7.715
  112   1HH1  ARG  12          2HH1      ARG  12   5.007  -0.082  -9.138
  113   2HH1  ARG  12          1HH1      ARG  12   6.672   0.280  -9.455
  114   1HH2  ARG  12          1HH2      ARG  12   7.883  -2.009  -7.150
  115   2HH2  ARG  12          2HH2      ARG  12   8.298  -0.811  -8.330
  116    H    ARG  13           H        ARG  13   7.678  -0.357  -1.841
  117    HA   ARG  13           HA       ARG  13  10.501  -0.065  -2.483
  118   1HB   ARG  13          2HB       ARG  13   8.784   1.688  -1.740
  119   2HB   ARG  13          1HB       ARG  13   8.974   1.035  -0.113
  120   1HG   ARG  13          2HG       ARG  13  11.295   1.608  -0.051
  121   2HG   ARG  13          1HG       ARG  13  11.323   1.956  -1.781
  122   1HD   ARG  13          2HD       ARG  13  11.156   4.122  -0.880
  123   2HD   ARG  13          1HD       ARG  13   9.445   3.725  -1.133
  124    HE   ARG  13           HE       ARG  13  10.666   4.091   1.451
  125   1HH1  ARG  13          1HH1      ARG  13   7.686   4.000   0.730
  126   2HH1  ARG  13          2HH1      ARG  13   7.169   2.632   1.657
  127   1HH2  ARG  13          1HH2      ARG  13  10.383   1.452   2.201
  128   2HH2  ARG  13          2HH2      ARG  13   8.696   1.188   2.489
  129   1HN   NH2  14          1HN       NH2  14  10.232  -2.746  -1.674
  130   2HN   NH2  14          2HN       NH2  14  10.931  -2.966  -0.142
  Start of MODEL    4
    1   1H    ILE   1          1H        ILE   1 -14.260   2.989   8.679
    2   2H    ILE   1          2H        ILE   1 -13.117   3.360   9.881
    3   3H    ILE   1          3H        ILE   1 -13.089   1.843   9.117
    4    HA   ILE   1           HA       ILE   1 -12.806   4.242   7.444
    5    HB   ILE   1           HB       ILE   1 -11.413   4.422   9.577
    6   1HG1  ILE   1          2HG1      ILE   1  -9.420   5.129   8.375
    7   2HG1  ILE   1          1HG1      ILE   1  -9.846   4.114   6.997
    8   1HG2  ILE   1          1HG2      ILE   1 -10.082   2.713  10.213
    9   2HG2  ILE   1          2HG2      ILE   1  -9.401   2.559   8.593
   10   3HG2  ILE   1          3HG2      ILE   1 -10.905   1.732   9.000
   11   1HD1  ILE   1          1HD1      ILE   1 -11.378   5.604   6.214
   12   2HD1  ILE   1          2HD1      ILE   1 -10.495   6.764   7.207
   13   3HD1  ILE   1          3HD1      ILE   1 -11.959   6.001   7.831
   14    H    LEU   2           H        LEU   2 -11.118   3.607   5.717
   15    HA   LEU   2           HA       LEU   2 -11.355   0.674   5.117
   16   1HB   LEU   2          2HB       LEU   2 -12.537   2.678   3.783
   17   2HB   LEU   2          1HB       LEU   2 -10.966   2.730   2.984
   18    HG   LEU   2           HG       LEU   2 -11.448   0.041   3.011
   19   1HD1  LEU   2          1HD1      LEU   2 -13.632  -0.403   3.316
   20   2HD1  LEU   2          2HD1      LEU   2 -14.027   0.632   1.944
   21   3HD1  LEU   2          3HD1      LEU   2 -13.953   1.313   3.569
   22   1HD2  LEU   2          1HD2      LEU   2 -10.742   1.508   1.100
   23   2HD2  LEU   2          2HD2      LEU   2 -12.429   1.977   0.888
   24   3HD2  LEU   2          3HD2      LEU   2 -11.941   0.300   0.639
   25    H    ALA   3           H        ALA   3  -9.543  -0.085   3.618
   26    HA   ALA   3           HA       ALA   3  -7.145   1.275   3.118
   27   1HB   ALA   3          1HB       ALA   3  -7.617   0.557   5.927
   28   2HB   ALA   3          2HB       ALA   3  -6.463   1.701   5.242
   29   3HB   ALA   3          3HB       ALA   3  -6.066  -0.016   5.313
   30    H    TRP   4           H        TRP   4  -5.782  -0.115   2.014
   31    HA   TRP   4           HA       TRP   4  -5.283  -2.846   2.460
   32   1HB   TRP   4          2HB       TRP   4  -7.944  -2.338   1.618
   33   2HB   TRP   4          1HB       TRP   4  -7.114  -3.058   0.238
   34    HD1  TRP   4           HD1      TRP   4  -8.920  -4.033   3.224
   35    HE1  TRP   4           1HE      TRP   4  -8.407  -6.470   3.889
   36    HE3  TRP   4           3HE      TRP   4  -4.784  -4.877   0.352
   37    HZ2  TRP   4           2HZ      TRP   4  -6.493  -8.509   3.284
   38    HZ3  TRP   4           3HZ      TRP   4  -3.636  -7.072   0.417
   39    HH2  TRP   4           HH2      TRP   4  -4.483  -8.887   1.878
   40    H    LYS   5           H        LYS   5  -6.338  -0.983  -0.400
   41    HA   LYS   5           HA       LYS   5  -4.180  -1.928  -2.080
   42   1HB   LYS   5          2HB       LYS   5  -6.216   0.306  -2.167
   43   2HB   LYS   5          1HB       LYS   5  -5.027   0.104  -3.454
   44   1HG   LYS   5          2HG       LYS   5  -6.455  -2.362  -2.642
   45   2HG   LYS   5          1HG       LYS   5  -7.442  -1.141  -3.447
   46   1HD   LYS   5          2HD       LYS   5  -6.101  -1.170  -5.394
   47   2HD   LYS   5          1HD       LYS   5  -4.770  -1.981  -4.568
   48   1HE   LYS   5          2HE       LYS   5  -5.919  -4.064  -4.522
   49   2HE   LYS   5          1HE       LYS   5  -7.475  -3.302  -4.906
   50   1HZ   LYS   5          1HZ       LYS   5  -5.113  -3.153  -6.694
   51   2HZ   LYS   5          2HZ       LYS   5  -6.714  -2.712  -7.051
   52   3HZ   LYS   5          3HZ       LYS   5  -6.306  -4.348  -6.847
   53    H    TRP   6           H        TRP   6  -4.176   0.181   0.529
   54    HA   TRP   6           HA       TRP   6  -2.188   2.097  -0.507
   55   1HB   TRP   6          2HB       TRP   6  -4.054   1.984   1.618
   56   2HB   TRP   6          1HB       TRP   6  -2.468   1.998   2.382
   57    HD1  TRP   6           HD1      TRP   6  -4.909   4.377   1.605
   58    HE1  TRP   6           1HE      TRP   6  -3.938   6.675   0.958
   59    HE3  TRP   6           3HE      TRP   6  -0.084   3.043   0.580
   60    HZ2  TRP   6           2HZ      TRP   6  -1.447   7.801   0.116
   61    HZ3  TRP   6           3HZ      TRP   6   1.564   4.747  -0.142
   62    HH2  TRP   6           HH2      TRP   6   0.889   7.122  -0.375
   63    H    ALA   7           H        ALA   7  -2.251  -0.516   1.939
   64    HA   ALA   7           HA       ALA   7   0.408  -0.505   2.783
   65   1HB   ALA   7          1HB       ALA   7  -1.866  -2.275   2.707
   66   2HB   ALA   7          2HB       ALA   7  -0.545  -2.239   3.875
   67   3HB   ALA   7          3HB       ALA   7  -0.397  -3.204   2.407
   68    H    TRP   8           H        TRP   8  -0.900  -1.607  -0.294
   69    HA   TRP   8           HA       TRP   8   1.131  -3.243  -1.303
   70   1HB   TRP   8          2HB       TRP   8  -0.775  -2.917  -2.634
   71   2HB   TRP   8          1HB       TRP   8  -0.713  -1.167  -2.462
   72    HD1  TRP   8           HD1      TRP   8   0.090   0.012  -4.569
   73    HE1  TRP   8           1HE      TRP   8   1.600  -0.568  -6.566
   74    HE3  TRP   8           3HE      TRP   8   1.600  -4.646  -3.190
   75    HZ2  TRP   8           2HZ      TRP   8   3.240  -2.729  -7.465
   76    HZ3  TRP   8           3HZ      TRP   8   3.136  -5.954  -4.631
   77    HH2  TRP   8           HH2      TRP   8   3.962  -4.997  -6.765
   78    H    TRP   9           H        TRP   9   1.013   0.009  -2.622
   79    HA   TRP   9           HA       TRP   9   3.660   0.285  -3.322
   80   1HB   TRP   9          2HB       TRP   9   1.676   1.807  -3.734
   81   2HB   TRP   9          1HB       TRP   9   1.965   2.491  -2.134
   82    HD1  TRP   9           HD1      TRP   9   3.299   2.476  -5.667
   83    HE1  TRP   9           1HE      TRP   9   5.236   4.172  -5.849
   84    HE3  TRP   9           3HE      TRP   9   3.933   3.584  -0.752
   85    HZ2  TRP   9           2HZ      TRP   9   6.850   5.790  -4.110
   86    HZ3  TRP   9           3HZ      TRP   9   5.667   5.194  -0.019
   87    HH2  TRP   9           HH2      TRP   9   7.129   6.301  -1.695
   88    H    ALA  10           H        ALA  10   2.357   0.415  -0.075
   89    HA   ALA  10           HA       ALA  10   4.657   1.745   1.135
   90   1HB   ALA  10          1HB       ALA  10   2.061   0.644   1.862
   91   2HB   ALA  10          2HB       ALA  10   2.985   1.924   2.648
   92   3HB   ALA  10          3HB       ALA  10   3.291   0.237   3.060
   93    H    TRP  11           H        TRP  11   3.455  -1.623   1.462
   94    HA   TRP  11           HA       TRP  11   5.661  -2.789   2.696
   95   1HB   TRP  11          2HB       TRP  11   4.493  -4.689   2.196
   96   2HB   TRP  11          1HB       TRP  11   3.310  -3.597   1.481
   97    HD1  TRP  11           HD1      TRP  11   2.778  -4.047  -0.964
   98    HE1  TRP  11           1HE      TRP  11   3.903  -5.295  -2.911
   99    HE3  TRP  11           3HE      TRP  11   7.177  -5.307   1.244
  100    HZ2  TRP  11           2HZ      TRP  11   6.362  -6.646  -3.465
  101    HZ3  TRP  11           3HZ      TRP  11   8.906  -6.570  -0.005
  102    HH2  TRP  11           HH2      TRP  11   8.504  -7.238  -2.359
  103    H    ARG  12           H        ARG  12   5.176  -2.234  -0.769
  104    HA   ARG  12           HA       ARG  12   7.273  -3.418  -2.013
  105   1HB   ARG  12          2HB       ARG  12   6.308  -0.557  -2.269
  106   2HB   ARG  12          1HB       ARG  12   7.334  -1.350  -3.465
  107   1HG   ARG  12          2HG       ARG  12   5.592  -3.149  -3.682
  108   2HG   ARG  12          1HG       ARG  12   4.551  -2.208  -2.615
  109   1HD   ARG  12          2HD       ARG  12   3.814  -1.386  -4.657
  110   2HD   ARG  12          1HD       ARG  12   5.172  -0.276  -4.396
  111    HE   ARG  12           HE       ARG  12   5.265  -2.710  -6.122
  112   1HH1  ARG  12          1HH2      ARG  12   5.915   0.557  -5.939
  113   2HH1  ARG  12          2HH2      ARG  12   7.502   0.470  -6.626
  114   1HH2  ARG  12          2HH1      ARG  12   7.632  -2.995  -6.557
  115   2HH2  ARG  12          1HH1      ARG  12   8.474  -1.540  -6.977
  116    H    ARG  13           H        ARG  13   7.519  -0.545   0.061
  117    HA   ARG  13           HA       ARG  13  10.363  -0.127  -0.437
  118   1HB   ARG  13          2HB       ARG  13   8.528   1.535   0.269
  119   2HB   ARG  13          1HB       ARG  13   8.698   0.857   1.889
  120   1HG   ARG  13          2HG       ARG  13  10.666   1.918   2.248
  121   2HG   ARG  13          1HG       ARG  13  11.267   1.528   0.636
  122   1HD   ARG  13          2HD       ARG  13   9.083   3.580   0.883
  123   2HD   ARG  13          1HD       ARG  13  10.752   4.053   1.261
  124    HE   ARG  13           HE       ARG  13   9.777   3.137  -1.388
  125   1HH1  ARG  13          1HH1      ARG  13  11.589   5.534  -0.380
  126   2HH1  ARG  13          2HH1      ARG  13  13.073   5.099  -1.161
  127   1HH2  ARG  13          1HH2      ARG  13  12.034   1.881  -1.928
  128   2HH2  ARG  13          2HH2      ARG  13  13.325   3.030  -2.037
  129   1HN   NH2  14          1HN       NH2  14   8.444  -1.698   2.166
  130   2HN   NH2  14          2HN       NH2  14   9.773  -2.419   2.938
  Start of MODEL    5
    1   1H    ILE   1          1H        ILE   1 -13.106   3.387   5.932
    2   2H    ILE   1          2H        ILE   1 -12.397   4.888   6.291
    3   3H    ILE   1          3H        ILE   1 -13.016   3.917   7.539
    4    HA   ILE   1           HA       ILE   1 -10.449   3.974   7.032
    5    HB   ILE   1           HB       ILE   1 -11.893   2.712   8.722
    6   1HG1  ILE   1          2HG1      ILE   1  -9.926   0.685   8.166
    7   2HG1  ILE   1          1HG1      ILE   1  -9.236   2.272   7.822
    8   1HG2  ILE   1          1HG2      ILE   1 -11.747   0.637   6.514
    9   2HG2  ILE   1          2HG2      ILE   1 -13.208   1.385   7.160
   10   3HG2  ILE   1          3HG2      ILE   1 -12.255   0.298   8.168
   11   1HD1  ILE   1          1HD1      ILE   1 -10.696   2.576  10.215
   12   2HD1  ILE   1          2HD1      ILE   1  -8.941   2.556  10.035
   13   3HD1  ILE   1          3HD1      ILE   1  -9.808   1.061  10.384
   14    H    LEU   2           H        LEU   2 -12.023   3.701   4.390
   15    HA   LEU   2           HA       LEU   2 -11.540   1.345   2.984
   16   1HB   LEU   2          2HB       LEU   2 -12.055   4.110   2.471
   17   2HB   LEU   2          1HB       LEU   2 -10.791   3.584   1.358
   18    HG   LEU   2           HG       LEU   2 -12.463   1.461   1.191
   19   1HD1  LEU   2          1HD1      LEU   2 -14.753   2.142   1.252
   20   2HD1  LEU   2          2HD1      LEU   2 -14.315   3.841   1.433
   21   3HD1  LEU   2          3HD1      LEU   2 -14.044   2.715   2.763
   22   1HD2  LEU   2          1HD2      LEU   2 -12.617   2.154  -0.968
   23   2HD2  LEU   2          2HD2      LEU   2 -11.599   3.500  -0.455
   24   3HD2  LEU   2          3HD2      LEU   2 -13.351   3.691  -0.511
   25    H    ALA   3           H        ALA   3  -9.729   0.483   1.857
   26    HA   ALA   3           HA       ALA   3  -7.229   1.658   1.403
   27   1HB   ALA   3          1HB       ALA   3  -6.660   2.068   3.584
   28   2HB   ALA   3          2HB       ALA   3  -6.204   0.365   3.566
   29   3HB   ALA   3          3HB       ALA   3  -7.774   0.850   4.205
   30    H    TRP   4           H        TRP   4  -5.922   0.159   0.361
   31    HA   TRP   4           HA       TRP   4  -5.716  -2.618   0.814
   32   1HB   TRP   4          2HB       TRP   4  -8.250  -1.852  -0.159
   33   2HB   TRP   4          1HB       TRP   4  -7.417  -2.575  -1.534
   34    HD1  TRP   4           HD1      TRP   4  -9.499  -3.547   1.238
   35    HE1  TRP   4           1HE      TRP   4  -9.223  -6.042   1.823
   36    HE3  TRP   4           3HE      TRP   4  -5.200  -4.573  -1.312
   37    HZ2  TRP   4           2HZ      TRP   4  -7.412  -8.190   1.281
   38    HZ3  TRP   4           3HZ      TRP   4  -4.219  -6.849  -1.261
   39    HH2  TRP   4           HH2      TRP   4  -5.319  -8.657   0.032
   40    H    LYS   5           H        LYS   5  -6.389  -0.661  -2.098
   41    HA   LYS   5           HA       LYS   5  -4.204  -1.795  -3.621
   42   1HB   LYS   5          2HB       LYS   5  -6.018   0.615  -3.853
   43   2HB   LYS   5          1HB       LYS   5  -4.777   0.277  -5.060
   44   1HG   LYS   5          2HG       LYS   5  -6.409  -2.067  -4.359
   45   2HG   LYS   5          1HG       LYS   5  -7.329  -0.758  -5.102
   46   1HD   LYS   5          2HD       LYS   5  -5.744  -0.686  -6.978
   47   2HD   LYS   5          1HD       LYS   5  -4.786  -1.965  -6.231
   48   1HE   LYS   5          2HE       LYS   5  -6.910  -3.402  -6.288
   49   2HE   LYS   5          1HE       LYS   5  -7.585  -2.166  -7.368
   50   1HZ   LYS   5          1HZ       LYS   5  -5.149  -3.804  -7.763
   51   2HZ   LYS   5          2HZ       LYS   5  -5.426  -2.376  -8.642
   52   3HZ   LYS   5          3HZ       LYS   5  -6.502  -3.683  -8.778
   53    H    TRP   6           H        TRP   6  -4.219   0.321  -1.018
   54    HA   TRP   6           HA       TRP   6  -1.997   2.050  -1.899
   55   1HB   TRP   6          2HB       TRP   6  -4.032   2.115   0.074
   56   2HB   TRP   6          1HB       TRP   6  -2.512   2.020   0.957
   57    HD1  TRP   6           HD1      TRP   6  -4.700   4.563  -0.059
   58    HE1  TRP   6           1HE      TRP   6  -3.504   6.768  -0.647
   59    HE3  TRP   6           3HE      TRP   6   0.080   2.852  -0.628
   60    HZ2  TRP   6           2HZ      TRP   6  -0.869   7.687  -1.274
   61    HZ3  TRP   6           3HZ      TRP   6   1.912   4.414  -1.220
   62    HH2  TRP   6           HH2      TRP   6   1.443   6.827  -1.543
   63    H    ALA   7           H        ALA   7  -2.488  -0.541   0.521
   64    HA   ALA   7           HA       ALA   7   0.104  -0.730   1.573
   65   1HB   ALA   7          1HB       ALA   7  -1.490  -3.181   0.884
   66   2HB   ALA   7          2HB       ALA   7  -2.188  -1.988   1.980
   67   3HB   ALA   7          3HB       ALA   7  -0.667  -2.779   2.392
   68    H    TRP   8           H        TRP   8  -1.072  -1.717  -1.583
   69    HA   TRP   8           HA       TRP   8   0.928  -3.589  -2.338
   70   1HB   TRP   8          2HB       TRP   8  -0.952  -3.318  -3.743
   71   2HB   TRP   8          1HB       TRP   8  -0.789  -1.564  -3.769
   72    HD1  TRP   8           HD1      TRP   8   0.178  -0.684  -5.964
   73    HE1  TRP   8           1HE      TRP   8   1.718  -1.592  -7.811
   74    HE3  TRP   8           3HE      TRP   8   1.327  -5.210  -3.974
   75    HZ2  TRP   8           2HZ      TRP   8   3.245  -3.945  -8.371
   76    HZ3  TRP   8           3HZ      TRP   8   2.824  -6.784  -5.174
   77    HH2  TRP   8           HH2      TRP   8   3.790  -6.151  -7.369
   78    H    TRP   9           H        TRP   9   0.907  -0.490  -3.966
   79    HA   TRP   9           HA       TRP   9   3.539  -0.307  -4.631
   80   1HB   TRP   9          2HB       TRP   9   1.636   1.240  -5.185
   81   2HB   TRP   9          1HB       TRP   9   1.870   2.001  -3.610
   82    HD1  TRP   9           HD1      TRP   9   3.365   1.776  -7.081
   83    HE1  TRP   9           1HE      TRP   9   5.328   3.446  -7.259
   84    HE3  TRP   9           3HE      TRP   9   3.755   3.151  -2.218
   85    HZ2  TRP   9           2HZ      TRP   9   6.868   5.149  -5.528
   86    HZ3  TRP   9           3HZ      TRP   9   5.465   4.786  -1.477
   87    HH2  TRP   9           HH2      TRP   9   7.025   5.790  -3.131
   88    H    ALA  10           H        ALA  10   2.242   0.127  -1.401
   89    HA   ALA  10           HA       ALA  10   4.479   1.500  -0.215
   90   1HB   ALA  10          1HB       ALA  10   2.683   1.514   1.198
   91   2HB   ALA  10          2HB       ALA  10   3.384   0.007   1.787
   92   3HB   ALA  10          3HB       ALA  10   2.081  -0.032   0.598
   93    H    TRP  11           H        TRP  11   3.808  -1.906  -0.884
   94    HA   TRP  11           HA       TRP  11   6.010  -2.980   0.658
   95   1HB   TRP  11          2HB       TRP  11   5.061  -4.945  -0.039
   96   2HB   TRP  11          1HB       TRP  11   3.774  -3.917  -0.662
   97    HD1  TRP  11           HD1      TRP  11   3.468  -3.803  -3.234
   98    HE1  TRP  11           1HE      TRP  11   4.681  -4.856  -5.244
   99    HE3  TRP  11           3HE      TRP  11   7.549  -5.737  -0.883
  100    HZ2  TRP  11           2HZ      TRP  11   7.067  -6.332  -5.788
  101    HZ3  TRP  11           3HZ      TRP  11   9.282  -6.963  -2.163
  102    HH2  TRP  11           HH2      TRP  11   9.047  -7.261  -4.614
  103    H    ARG  12           H        ARG  12   5.556  -2.197  -2.776
  104    HA   ARG  12           HA       ARG  12   7.933  -3.071  -3.904
  105   1HB   ARG  12          2HB       ARG  12   6.467  -0.453  -4.359
  106   2HB   ARG  12          1HB       ARG  12   7.599  -1.184  -5.494
  107   1HG   ARG  12          2HG       ARG  12   6.144  -3.202  -5.624
  108   2HG   ARG  12          1HG       ARG  12   4.989  -2.420  -4.544
  109   1HD   ARG  12          2HD       ARG  12   4.082  -1.835  -6.609
  110   2HD   ARG  12          1HD       ARG  12   5.180  -0.462  -6.364
  111    HE   ARG  12           HE       ARG  12   5.909  -2.894  -7.957
  112   1HH1  ARG  12          1HH2      ARG  12   5.200   0.310  -8.341
  113   2HH1  ARG  12          2HH2      ARG  12   6.687   0.755  -9.110
  114   1HH2  ARG  12          2HH1      ARG  12   8.244  -2.271  -8.447
  115   2HH2  ARG  12          1HH1      ARG  12   8.410  -0.705  -9.170
  116    H    ARG  13           H        ARG  13   7.473  -0.376  -1.701
  117    HA   ARG  13           HA       ARG  13  10.169   0.721  -2.173
  118   1HB   ARG  13          2HB       ARG  13   8.142   2.096  -1.672
  119   2HB   ARG  13          1HB       ARG  13   8.056   1.337  -0.082
  120   1HG   ARG  13          2HG       ARG  13   9.565   2.797   0.720
  121   2HG   ARG  13          1HG       ARG  13  10.731   2.280  -0.498
  122   1HD   ARG  13          2HD       ARG  13   8.512   4.197  -1.234
  123   2HD   ARG  13          1HD       ARG  13  10.023   4.787  -0.513
  124    HE   ARG  13           HE       ARG  13   9.787   3.418  -3.142
  125   1HH1  ARG  13          1HH2      ARG  13  11.133   6.115  -2.440
  126   2HH1  ARG  13          2HH2      ARG  13  12.801   5.682  -2.608
  127   1HH2  ARG  13          1HH1      ARG  13  12.191   2.268  -2.576
  128   2HH2  ARG  13          2HH1      ARG  13  13.401   3.503  -2.686
  129   1HN   NH2  14          1HN       NH2  14   8.939  -1.894  -0.375
  130   2HN   NH2  14          2HN       NH2  14  10.158  -1.992   0.802
  Start of MODEL    6
    1   1H    ILE   1          1H        ILE   1 -13.401  -3.400   6.996
    2   2H    ILE   1          2H        ILE   1 -12.655  -2.018   7.647
    3   3H    ILE   1          3H        ILE   1 -11.725  -3.192   6.843
    4    HA   ILE   1           HA       ILE   1 -12.395  -2.527   4.760
    5    HB   ILE   1           HB       ILE   1 -14.785  -2.906   5.589
    6   1HG1  ILE   1          2HG1      ILE   1 -15.122  -0.534   3.941
    7   2HG1  ILE   1          1HG1      ILE   1 -13.782  -1.523   3.360
    8   1HG2  ILE   1          1HG2      ILE   1 -15.383  -0.085   5.791
    9   2HG2  ILE   1          2HG2      ILE   1 -14.196  -0.543   7.014
   10   3HG2  ILE   1          3HG2      ILE   1 -15.747  -1.379   6.932
   11   1HD1  ILE   1          1HD1      ILE   1 -15.997  -3.217   4.108
   12   2HD1  ILE   1          2HD1      ILE   1 -15.206  -3.060   2.539
   13   3HD1  ILE   1          3HD1      ILE   1 -16.540  -1.988   2.966
   14    H    LEU   2           H        LEU   2 -10.973  -1.106   7.065
   15    HA   LEU   2           HA       LEU   2 -11.174   1.685   5.979
   16   1HB   LEU   2          2HB       LEU   2 -11.848   0.913   8.452
   17   2HB   LEU   2          1HB       LEU   2 -10.112   1.088   8.710
   18    HG   LEU   2           HG       LEU   2 -11.029   3.339   7.196
   19   1HD1  LEU   2          1HD1      LEU   2 -12.821   2.423   9.386
   20   2HD1  LEU   2          2HD1      LEU   2 -13.188   3.407   7.969
   21   3HD1  LEU   2          3HD1      LEU   2 -12.411   4.139   9.373
   22   1HD2  LEU   2          1HD2      LEU   2 -10.082   4.569   9.082
   23   2HD2  LEU   2          2HD2      LEU   2  -9.051   3.185   8.721
   24   3HD2  LEU   2          3HD2      LEU   2 -10.155   3.127  10.094
   25    H    ALA   3           H        ALA   3  -9.407   1.717   4.555
   26    HA   ALA   3           HA       ALA   3  -7.102   1.948   4.006
   27   1HB   ALA   3          1HB       ALA   3  -5.919   2.662   5.786
   28   2HB   ALA   3          2HB       ALA   3  -5.995   1.066   6.535
   29   3HB   ALA   3          3HB       ALA   3  -7.294   2.229   6.803
   30    H    TRP   4           H        TRP   4  -5.776   0.447   3.055
   31    HA   TRP   4           HA       TRP   4  -5.076  -2.126   4.062
   32   1HB   TRP   4          2HB       TRP   4  -7.732  -2.009   3.461
   33   2HB   TRP   4          1HB       TRP   4  -7.074  -2.551   1.917
   34    HD1  TRP   4           HD1      TRP   4  -8.417  -3.989   4.885
   35    HE1  TRP   4           1HE      TRP   4  -7.497  -6.354   5.340
   36    HE3  TRP   4           3HE      TRP   4  -4.372  -3.968   1.776
   37    HZ2  TRP   4           2HZ      TRP   4  -5.326  -8.017   4.496
   38    HZ3  TRP   4           3HZ      TRP   4  -2.893  -5.952   1.619
   39    HH2  TRP   4           HH2      TRP   4  -3.365  -7.975   2.974
   40    H    LYS   5           H        LYS   5  -6.236  -0.927   0.902
   41    HA   LYS   5           HA       LYS   5  -4.024  -2.073  -0.572
   42   1HB   LYS   5          2HB       LYS   5  -4.991  -0.617  -2.388
   43   2HB   LYS   5          1HB       LYS   5  -6.198  -1.618  -1.579
   44   1HG   LYS   5          2HG       LYS   5  -5.883   0.873  -0.155
   45   2HG   LYS   5          1HG       LYS   5  -6.221   1.194  -1.856
   46   1HD   LYS   5          2HD       LYS   5  -7.856  -0.515   0.038
   47   2HD   LYS   5          1HD       LYS   5  -8.343   1.002  -0.718
   48   1HE   LYS   5          2HE       LYS   5  -7.564  -0.645  -2.862
   49   2HE   LYS   5          1HE       LYS   5  -8.520  -1.688  -1.790
   50   1HZ   LYS   5          1HZ       LYS   5 -10.142  -0.595  -3.006
   51   2HZ   LYS   5          2HZ       LYS   5  -9.285   0.871  -3.046
   52   3HZ   LYS   5          3HZ       LYS   5 -10.040   0.363  -1.611
   53    H    TRP   6           H        TRP   6  -4.144   0.530   1.538
   54    HA   TRP   6           HA       TRP   6  -2.273   2.294   0.096
   55   1HB   TRP   6          2HB       TRP   6  -4.111   2.513   2.249
   56   2HB   TRP   6          1HB       TRP   6  -2.518   2.804   2.940
   57    HD1  TRP   6           HD1      TRP   6  -5.160   4.757   1.677
   58    HE1  TRP   6           1HE      TRP   6  -4.361   6.926   0.536
   59    HE3  TRP   6           3HE      TRP   6  -0.229   3.623   0.971
   60    HZ2  TRP   6           2HZ      TRP   6  -1.951   8.035  -0.534
   61    HZ3  TRP   6           3HZ      TRP   6   1.293   5.252  -0.109
   62    HH2  TRP   6           HH2      TRP   6   0.440   7.455  -0.862
   63    H    ALA   7           H        ALA   7  -2.167   0.173   2.978
   64    HA   ALA   7           HA       ALA   7   0.521   0.539   3.728
   65   1HB   ALA   7          1HB       ALA   7  -1.651  -1.358   4.094
   66   2HB   ALA   7          2HB       ALA   7  -0.382  -0.897   5.229
   67   3HB   ALA   7          3HB       ALA   7  -0.094  -2.187   4.060
   68    H    TRP   8           H        TRP   8  -0.836  -1.263   1.030
   69    HA   TRP   8           HA       TRP   8   1.128  -3.052   0.270
   70   1HB   TRP   8          2HB       TRP   8  -0.749  -2.839  -1.129
   71   2HB   TRP   8          1HB       TRP   8  -0.601  -1.088  -1.222
   72    HD1  TRP   8           HD1      TRP   8   0.369  -0.248  -3.433
   73    HE1  TRP   8           1HE      TRP   8   1.834  -1.226  -5.307
   74    HE3  TRP   8           3HE      TRP   8   1.431  -4.781  -1.414
   75    HZ2  TRP   8           2HZ      TRP   8   3.274  -3.632  -5.875
   76    HZ3  TRP   8           3HZ      TRP   8   2.847  -6.416  -2.630
   77    HH2  TRP   8           HH2      TRP   8   3.777  -5.841  -4.858
   78    H    TRP   9           H        TRP   9   1.145  -0.010  -1.483
   79    HA   TRP   9           HA       TRP   9   3.762   0.040  -2.269
   80   1HB   TRP   9          2HB       TRP   9   1.887   1.636  -2.807
   81   2HB   TRP   9          1HB       TRP   9   2.217   2.445  -1.274
   82    HD1  TRP   9           HD1      TRP   9   3.550   2.038  -4.790
   83    HE1  TRP   9           1HE      TRP   9   5.563   3.624  -5.115
   84    HE3  TRP   9           3HE      TRP   9   4.206   3.571  -0.003
   85    HZ2  TRP   9           2HZ      TRP   9   7.239   5.327  -3.518
   86    HZ3  TRP   9           3HZ      TRP   9   6.006   5.165   0.600
   87    HH2  TRP   9           HH2      TRP   9   7.526   6.049  -1.157
   88    H    ALA  10           H        ALA  10   2.592   0.639   0.981
   89    HA   ALA  10           HA       ALA  10   4.935   1.957   2.034
   90   1HB   ALA  10          1HB       ALA  10   2.436   1.447   2.895
   91   2HB   ALA  10          2HB       ALA  10   3.757   1.805   4.008
   92   3HB   ALA  10          3HB       ALA  10   3.283   0.133   3.713
   93    H    TRP  11           H        TRP  11   4.049  -1.427   1.538
   94    HA   TRP  11           HA       TRP  11   6.209  -2.576   3.078
   95   1HB   TRP  11          2HB       TRP  11   5.132  -4.500   2.450
   96   2HB   TRP  11          1HB       TRP  11   3.910  -3.420   1.786
   97    HD1  TRP  11           HD1      TRP  11   3.590  -3.422  -0.782
   98    HE1  TRP  11           1HE      TRP  11   4.764  -4.591  -2.753
   99    HE3  TRP  11           3HE      TRP  11   7.609  -5.407   1.634
  100    HZ2  TRP  11           2HZ      TRP  11   7.094  -6.169  -3.243
  101    HZ3  TRP  11           3HZ      TRP  11   9.295  -6.740   0.400
  102    HH2  TRP  11           HH2      TRP  11   9.043  -7.122  -2.037
  103    H    ARG  12           H        ARG  12   5.752  -1.866  -0.368
  104    HA   ARG  12           HA       ARG  12   8.056  -2.894  -1.512
  105   1HB   ARG  12          2HB       ARG  12   6.706  -0.221  -2.000
  106   2HB   ARG  12          1HB       ARG  12   7.789  -1.019  -3.137
  107   1HG   ARG  12          2HG       ARG  12   6.251  -2.981  -3.194
  108   2HG   ARG  12          1HG       ARG  12   5.144  -2.120  -2.122
  109   1HD   ARG  12          2HD       ARG  12   4.280  -1.653  -4.276
  110   2HD   ARG  12          1HD       ARG  12   5.275  -0.223  -3.936
  111    HE   ARG  12           HE       ARG  12   6.292  -2.566  -5.506
  112   1HH1  ARG  12          2HH1      ARG  12   7.148   0.413  -4.244
  113   2HH1  ARG  12          1HH1      ARG  12   7.746   1.075  -5.729
  114   1HH2  ARG  12          1HH2      ARG  12   6.596  -1.557  -7.673
  115   2HH2  ARG  12          2HH2      ARG  12   7.433  -0.041  -7.670
  116    H    ARG  13           H        ARG  13   7.792  -0.134   0.640
  117    HA   ARG  13           HA       ARG  13  10.290   1.143   0.079
  118   1HB   ARG  13          2HB       ARG  13   8.362   2.023   1.419
  119   2HB   ARG  13          1HB       ARG  13   8.785   0.889   2.703
  120   1HG   ARG  13          2HG       ARG  13  10.876   1.953   3.100
  121   2HG   ARG  13          1HG       ARG  13  10.782   2.868   1.594
  122   1HD   ARG  13          2HD       ARG  13  10.127   4.492   3.163
  123   2HD   ARG  13          1HD       ARG  13   8.553   3.824   2.686
  124    HE   ARG  13           HE       ARG  13   8.464   2.614   4.763
  125   1HH1  ARG  13          1HH1      ARG  13   9.931   5.284   5.497
  126   2HH1  ARG  13          2HH1      ARG  13  11.136   4.665   6.575
  127   1HH2  ARG  13          1HH2      ARG  13  10.674   1.364   5.619
  128   2HH2  ARG  13          2HH2      ARG  13  11.557   2.444   6.644
  129   1HN   NH2  14          1HN       NH2  14   9.472  -1.515   2.370
  130   2HN   NH2  14          2HN       NH2  14  11.081  -1.949   2.694
  Start of MODEL    7
    1   1H    ILE   1          1H        ILE   1 -13.819   2.027   5.662
    2   2H    ILE   1          2H        ILE   1 -13.590   3.330   4.596
    3   3H    ILE   1          3H        ILE   1 -14.188   3.605   6.162
    4    HA   ILE   1           HA       ILE   1 -11.716   4.106   5.710
    5    HB   ILE   1           HB       ILE   1 -13.061   3.985   7.865
    6   1HG1  ILE   1          2HG1      ILE   1 -10.532   2.939   8.809
    7   2HG1  ILE   1          1HG1      ILE   1 -10.270   4.002   7.426
    8   1HG2  ILE   1          1HG2      ILE   1 -13.304   1.395   7.478
    9   2HG2  ILE   1          2HG2      ILE   1 -13.146   2.018   9.120
   10   3HG2  ILE   1          3HG2      ILE   1 -11.747   1.319   8.305
   11   1HD1  ILE   1          1HD1      ILE   1 -12.256   5.096   9.254
   12   2HD1  ILE   1          2HD1      ILE   1 -10.782   5.838   8.633
   13   3HD1  ILE   1          3HD1      ILE   1 -10.715   4.809  10.063
   14    H    LEU   2           H        LEU   2 -12.421   1.617   4.103
   15    HA   LEU   2           HA       LEU   2 -10.680  -0.523   5.009
   16   1HB   LEU   2          2HB       LEU   2 -12.452   0.160   2.761
   17   2HB   LEU   2          1HB       LEU   2 -11.081  -0.847   2.295
   18    HG   LEU   2           HG       LEU   2 -11.958  -1.971   4.691
   19   1HD1  LEU   2          1HD1      LEU   2 -14.457  -2.187   3.316
   20   2HD1  LEU   2          2HD1      LEU   2 -14.105  -0.474   3.546
   21   3HD1  LEU   2          3HD1      LEU   2 -14.156  -1.557   4.936
   22   1HD2  LEU   2          1HD2      LEU   2 -12.610  -2.730   1.824
   23   2HD2  LEU   2          2HD2      LEU   2 -12.721  -3.815   3.210
   24   3HD2  LEU   2          3HD2      LEU   2 -11.152  -3.183   2.708
   25    H    ALA   3           H        ALA   3  -8.648   0.672   5.371
   26    HA   ALA   3           HA       ALA   3  -7.319   1.838   2.993
   27   1HB   ALA   3          1HB       ALA   3  -7.294   2.152   5.830
   28   2HB   ALA   3          2HB       ALA   3  -6.423   3.108   4.631
   29   3HB   ALA   3          3HB       ALA   3  -5.670   1.676   5.334
   30    H    TRP   4           H        TRP   4  -7.842  -1.034   2.970
   31    HA   TRP   4           HA       TRP   4  -5.516  -2.548   3.737
   32   1HB   TRP   4          2HB       TRP   4  -8.090  -2.942   2.662
   33   2HB   TRP   4          1HB       TRP   4  -6.971  -3.630   1.484
   34    HD1  TRP   4           HD1      TRP   4  -8.723  -4.514   4.545
   35    HE1  TRP   4           1HE      TRP   4  -7.662  -6.579   5.669
   36    HE3  TRP   4           3HE      TRP   4  -4.304  -4.717   2.005
   37    HZ2  TRP   4           2HZ      TRP   4  -5.250  -8.114   5.510
   38    HZ3  TRP   4           3HZ      TRP   4  -2.641  -6.487   2.510
   39    HH2  TRP   4           HH2      TRP   4  -3.108  -8.183   4.259
   40    H    LYS   5           H        LYS   5  -6.415  -0.882   0.730
   41    HA   LYS   5           HA       LYS   5  -4.148  -1.948  -0.770
   42   1HB   LYS   5          2HB       LYS   5  -5.886   0.473  -1.333
   43   2HB   LYS   5          1HB       LYS   5  -5.011  -0.509  -2.509
   44   1HG   LYS   5          2HG       LYS   5  -6.811  -1.841  -2.705
   45   2HG   LYS   5          1HG       LYS   5  -6.651  -2.277  -1.002
   46   1HD   LYS   5          2HD       LYS   5  -7.833   0.039  -0.595
   47   2HD   LYS   5          1HD       LYS   5  -8.376  -0.165  -2.261
   48   1HE   LYS   5          2HE       LYS   5  -8.671  -2.500  -0.404
   49   2HE   LYS   5          1HE       LYS   5  -9.818  -1.153  -0.253
   50   1HZ   LYS   5          1HZ       LYS   5 -10.776  -2.394  -1.925
   51   2HZ   LYS   5          2HZ       LYS   5  -9.285  -2.882  -2.579
   52   3HZ   LYS   5          3HZ       LYS   5  -9.847  -1.297  -2.824
   53    H    TRP   6           H        TRP   6  -4.188   0.114   1.770
   54    HA   TRP   6           HA       TRP   6  -2.300   2.127   0.685
   55   1HB   TRP   6          2HB       TRP   6  -4.292   2.214   2.541
   56   2HB   TRP   6          1HB       TRP   6  -2.899   1.953   3.588
   57    HD1  TRP   6           HD1      TRP   6  -4.771   4.674   2.119
   58    HE1  TRP   6           1HE      TRP   6  -3.378   6.838   1.999
   59    HE3  TRP   6           3HE      TRP   6  -0.101   2.771   2.940
   60    HZ2  TRP   6           2HZ      TRP   6  -0.648   7.657   2.220
   61    HZ3  TRP   6           3HZ      TRP   6   1.874   4.266   2.980
   62    HH2  TRP   6           HH2      TRP   6   1.607   6.704   2.621
   63    H    ALA   7           H        ALA   7  -2.325  -0.353   3.282
   64    HA   ALA   7           HA       ALA   7   0.336  -0.153   4.147
   65   1HB   ALA   7          1HB       ALA   7  -1.381  -2.623   3.725
   66   2HB   ALA   7          2HB       ALA   7  -1.446  -1.560   5.131
   67   3HB   ALA   7          3HB       ALA   7   0.002  -2.515   4.813
   68    H    TRP   8           H        TRP   8  -0.900  -1.371   1.119
   69    HA   TRP   8           HA       TRP   8   1.112  -3.131   0.258
   70   1HB   TRP   8          2HB       TRP   8  -0.755  -2.856  -1.133
   71   2HB   TRP   8          1HB       TRP   8  -0.677  -1.100  -1.049
   72    HD1  TRP   8           HD1      TRP   8   0.217  -0.025  -3.177
   73    HE1  TRP   8           1HE      TRP   8   1.754  -0.732  -5.115
   74    HE3  TRP   8           3HE      TRP   8   1.574  -4.651  -1.561
   75    HZ2  TRP   8           2HZ      TRP   8   3.357  -2.974  -5.879
   76    HZ3  TRP   8           3HZ      TRP   8   3.106  -6.063  -2.905
   77    HH2  TRP   8           HH2      TRP   8   4.004  -5.226  -5.060
   78    H    TRP   9           H        TRP   9   1.056   0.065  -1.203
   79    HA   TRP   9           HA       TRP   9   3.729   0.244  -1.876
   80   1HB   TRP   9          2HB       TRP   9   1.778   1.751  -2.457
   81   2HB   TRP   9          1HB       TRP   9   2.028   2.546  -0.901
   82    HD1  TRP   9           HD1      TRP   9   3.461   2.270  -4.382
   83    HE1  TRP   9           1HE      TRP   9   5.425   3.929  -4.626
   84    HE3  TRP   9           3HE      TRP   9   3.974   3.707   0.462
   85    HZ2  TRP   9           2HZ      TRP   9   7.009   5.644  -2.957
   86    HZ3  TRP   9           3HZ      TRP   9   5.709   5.345   1.131
   87    HH2  TRP   9           HH2      TRP   9   7.229   6.318  -0.575
   88    H    ALA  10           H        ALA  10   2.364   0.557   1.318
   89    HA   ALA  10           HA       ALA  10   4.636   1.982   2.485
   90   1HB   ALA  10          1HB       ALA  10   2.843   0.322   4.162
   91   2HB   ALA  10          2HB       ALA  10   2.037   1.526   3.158
   92   3HB   ALA  10          3HB       ALA  10   3.266   2.027   4.319
   93    H    TRP  11           H        TRP  11   3.400  -1.348   3.023
   94    HA   TRP  11           HA       TRP  11   5.547  -2.441   4.411
   95   1HB   TRP  11          2HB       TRP  11   4.433  -4.396   3.947
   96   2HB   TRP  11          1HB       TRP  11   3.241  -3.328   3.215
   97    HD1  TRP  11           HD1      TRP  11   2.828  -3.601   0.688
   98    HE1  TRP  11           1HE      TRP  11   3.900  -4.974  -1.201
   99    HE3  TRP  11           3HE      TRP  11   6.928  -5.360   3.118
  100    HZ2  TRP  11           2HZ      TRP  11   6.208  -6.606  -1.630
  101    HZ3  TRP  11           3HZ      TRP  11   8.560  -6.821   1.957
  102    HH2  TRP  11           HH2      TRP  11   8.205  -7.443  -0.417
  103    H    ARG  12           H        ARG  12   5.212  -2.081   0.909
  104    HA   ARG  12           HA       ARG  12   7.369  -3.375  -0.144
  105   1HB   ARG  12          2HB       ARG  12   6.344  -0.579  -0.700
  106   2HB   ARG  12          1HB       ARG  12   7.467  -1.427  -1.764
  107   1HG   ARG  12          2HG       ARG  12   5.635  -3.365  -1.553
  108   2HG   ARG  12          1HG       ARG  12   4.575  -1.999  -1.213
  109   1HD   ARG  12          2HD       ARG  12   6.136  -2.589  -3.732
  110   2HD   ARG  12          1HD       ARG  12   4.424  -2.164  -3.554
  111    HE   ARG  12           HE       ARG  12   5.075   0.144  -3.135
  112   1HH1  ARG  12          1HH2      ARG  12   7.030  -1.400  -5.248
  113   2HH1  ARG  12          2HH2      ARG  12   8.444  -0.432  -4.989
  114   1HH2  ARG  12          2HH1      ARG  12   7.173   1.138  -2.171
  115   2HH2  ARG  12          1HH1      ARG  12   8.524   1.004  -3.246
  116    H    ARG  13           H        ARG  13   7.497  -0.361   1.723
  117    HA   ARG  13           HA       ARG  13  10.253   0.276   1.250
  118   1HB   ARG  13          2HB       ARG  13   8.487   1.768   2.194
  119   2HB   ARG  13          1HB       ARG  13   8.492   0.799   3.668
  120   1HG   ARG  13          2HG       ARG  13  10.348   1.824   4.440
  121   2HG   ARG  13          1HG       ARG  13  11.186   1.608   2.902
  122   1HD   ARG  13          2HD       ARG  13   9.023   3.701   3.142
  123   2HD   ARG  13          1HD       ARG  13  10.674   4.054   3.690
  124    HE   ARG  13           HE       ARG  13   9.881   3.443   0.893
  125   1HH1  ARG  13          1HH2      ARG  13  11.417   5.884   1.479
  126   2HH1  ARG  13          2HH2      ARG  13  13.047   5.421   1.118
  127   1HH2  ARG  13          1HH1      ARG  13  12.376   2.019   1.196
  128   2HH2  ARG  13          2HH1      ARG  13  13.589   3.233   0.957
  129   1HN   NH2  14          1HN       NH2  14   8.828  -1.206   4.233
  130   2HN   NH2  14          2HN       NH2  14  10.209  -2.112   4.627
  Start of MODEL    8
    1   1H    ILE   1          1H        ILE   1 -14.988   0.222   8.221
    2   2H    ILE   1          2H        ILE   1 -15.030   0.501   6.546
    3   3H    ILE   1          3H        ILE   1 -15.411   1.753   7.628
    4    HA   ILE   1           HA       ILE   1 -13.237   2.173   8.160
    5    HB   ILE   1           HB       ILE   1 -13.069  -0.183   8.997
    6   1HG1  ILE   1          2HG1      ILE   1 -10.660   0.530   7.306
    7   2HG1  ILE   1          1HG1      ILE   1 -11.086   1.425   8.766
    8   1HG2  ILE   1          1HG2      ILE   1 -11.852  -1.064   6.435
    9   2HG2  ILE   1          2HG2      ILE   1 -13.609  -0.911   6.441
   10   3HG2  ILE   1          3HG2      ILE   1 -12.812  -1.977   7.598
   11   1HD1  ILE   1          1HD1      ILE   1  -9.455  -0.714   8.819
   12   2HD1  ILE   1          2HD1      ILE   1 -11.001  -1.542   8.991
   13   3HD1  ILE   1          3HD1      ILE   1 -10.526  -0.312  10.161
   14    H    LEU   2           H        LEU   2 -11.130   2.292   6.764
   15    HA   LEU   2           HA       LEU   2 -11.612   1.877   3.863
   16   1HB   LEU   2          2HB       LEU   2 -12.226   4.269   5.182
   17   2HB   LEU   2          1HB       LEU   2 -10.662   4.576   4.425
   18    HG   LEU   2           HG       LEU   2 -12.058   3.218   2.452
   19   1HD1  LEU   2          1HD1      LEU   2 -14.236   4.254   2.288
   20   2HD1  LEU   2          2HD1      LEU   2 -13.917   5.260   3.701
   21   3HD1  LEU   2          3HD1      LEU   2 -14.114   3.517   3.885
   22   1HD2  LEU   2          1HD2      LEU   2 -11.808   5.212   1.249
   23   2HD2  LEU   2          2HD2      LEU   2 -10.599   5.400   2.520
   24   3HD2  LEU   2          3HD2      LEU   2 -12.155   6.217   2.656
   25    H    ALA   3           H        ALA   3  -9.740   0.594   3.651
   26    HA   ALA   3           HA       ALA   3  -7.215   1.782   3.316
   27   1HB   ALA   3          1HB       ALA   3  -6.251   0.721   5.546
   28   2HB   ALA   3          2HB       ALA   3  -7.914   0.912   6.099
   29   3HB   ALA   3          3HB       ALA   3  -6.993   2.320   5.570
   30    H    TRP   4           H        TRP   4  -5.871   0.258   2.379
   31    HA   TRP   4           HA       TRP   4  -5.641  -2.492   2.974
   32   1HB   TRP   4          2HB       TRP   4  -8.146  -1.840   1.885
   33   2HB   TRP   4          1HB       TRP   4  -7.246  -2.546   0.545
   34    HD1  TRP   4           HD1      TRP   4  -9.368  -3.558   3.287
   35    HE1  TRP   4           1HE      TRP   4  -9.031  -6.043   3.888
   36    HE3  TRP   4           3HE      TRP   4  -5.000  -4.478   0.810
   37    HZ2  TRP   4           2HZ      TRP   4  -7.154  -8.144   3.383
   38    HZ3  TRP   4           3HZ      TRP   4  -3.959  -6.726   0.887
   39    HH2  TRP   4           HH2      TRP   4  -5.030  -8.558   2.169
   40    H    LYS   5           H        LYS   5  -6.201  -0.666  -0.045
   41    HA   LYS   5           HA       LYS   5  -3.961  -1.847  -1.437
   42   1HB   LYS   5          2HB       LYS   5  -6.121  -0.676  -2.284
   43   2HB   LYS   5          1HB       LYS   5  -5.236   0.828  -2.025
   44   1HG   LYS   5          2HG       LYS   5  -3.870   0.479  -3.809
   45   2HG   LYS   5          1HG       LYS   5  -3.721  -1.247  -3.476
   46   1HD   LYS   5          2HD       LYS   5  -6.300  -0.097  -4.527
   47   2HD   LYS   5          1HD       LYS   5  -4.989  -0.529  -5.625
   48   1HE   LYS   5          2HE       LYS   5  -5.016  -2.802  -4.244
   49   2HE   LYS   5          1HE       LYS   5  -6.692  -2.314  -3.922
   50   1HZ   LYS   5          1HZ       LYS   5  -6.560  -3.548  -5.995
   51   2HZ   LYS   5          2HZ       LYS   5  -5.404  -2.459  -6.598
   52   3HZ   LYS   5          3HZ       LYS   5  -6.993  -1.935  -6.299
   53    H    TRP   6           H        TRP   6  -4.060   0.365   1.091
   54    HA   TRP   6           HA       TRP   6  -1.804   2.054   0.237
   55   1HB   TRP   6          2HB       TRP   6  -3.880   2.166   2.166
   56   2HB   TRP   6          1HB       TRP   6  -2.376   2.087   3.079
   57    HD1  TRP   6           HD1      TRP   6  -4.538   4.611   1.958
   58    HE1  TRP   6           1HE      TRP   6  -3.321   6.800   1.346
   59    HE3  TRP   6           3HE      TRP   6   0.247   2.874   1.529
   60    HZ2  TRP   6           2HZ      TRP   6  -0.670   7.696   0.751
   61    HZ3  TRP   6           3HZ      TRP   6   2.096   4.415   0.940
   62    HH2  TRP   6           HH2      TRP   6   1.644   6.822   0.550
   63    H    ALA   7           H        ALA   7  -2.358  -0.499   2.684
   64    HA   ALA   7           HA       ALA   7   0.228  -0.674   3.779
   65   1HB   ALA   7          1HB       ALA   7  -0.983  -3.274   3.344
   66   2HB   ALA   7          2HB       ALA   7  -2.213  -2.088   3.781
   67   3HB   ALA   7          3HB       ALA   7  -0.835  -2.363   4.847
   68    H    TRP   8           H        TRP   8  -0.919  -1.645   0.624
   69    HA   TRP   8           HA       TRP   8   1.057  -3.573  -0.090
   70   1HB   TRP   8          2HB       TRP   8  -0.811  -3.316  -1.507
   71   2HB   TRP   8          1HB       TRP   8  -0.657  -1.562  -1.540
   72    HD1  TRP   8           HD1      TRP   8   0.321  -0.677  -3.728
   73    HE1  TRP   8           1HE      TRP   8   1.852  -1.588  -5.580
   74    HE3  TRP   8           3HE      TRP   8   1.451  -5.212  -1.750
   75    HZ2  TRP   8           2HZ      TRP   8   3.367  -3.947  -6.148
   76    HZ3  TRP   8           3HZ      TRP   8   2.938  -6.790  -2.957
   77    HH2  TRP   8           HH2      TRP   8   3.905  -6.157  -5.152
   78    H    TRP   9           H        TRP   9   1.049  -0.479  -1.735
   79    HA   TRP   9           HA       TRP   9   3.685  -0.321  -2.410
   80   1HB   TRP   9          2HB       TRP   9   1.792   1.234  -2.978
   81   2HB   TRP   9          1HB       TRP   9   2.026   2.003  -1.408
   82    HD1  TRP   9           HD1      TRP   9   3.530   1.750  -4.873
   83    HE1  TRP   9           1HE      TRP   9   5.495   3.416  -5.059
   84    HE3  TRP   9           3HE      TRP   9   3.911   3.159  -0.018
   85    HZ2  TRP   9           2HZ      TRP   9   7.031   5.130  -3.339
   86    HZ3  TRP   9           3HZ      TRP   9   5.622   4.800   0.711
   87    HH2  TRP   9           HH2      TRP   9   7.185   5.790  -0.947
   88    H    ALA  10           H        ALA  10   2.384   0.144   0.812
   89    HA   ALA  10           HA       ALA  10   4.640   1.503   1.988
   90   1HB   ALA  10          1HB       ALA  10   3.316  -0.252   3.827
   91   2HB   ALA  10          2HB       ALA  10   2.110   0.406   2.721
   92   3HB   ALA  10          3HB       ALA  10   3.130   1.495   3.664
   93    H    TRP  11           H        TRP  11   3.923  -1.875   1.295
   94    HA   TRP  11           HA       TRP  11   6.073  -3.001   2.879
   95   1HB   TRP  11          2HB       TRP  11   5.070  -4.938   2.185
   96   2HB   TRP  11          1HB       TRP  11   3.832  -3.879   1.518
   97    HD1  TRP  11           HD1      TRP  11   3.586  -3.800  -1.061
   98    HE1  TRP  11           1HE      TRP  11   4.822  -4.911  -3.028
   99    HE3  TRP  11           3HE      TRP  11   7.564  -5.794   1.411
  100    HZ2  TRP  11           2HZ      TRP  11   7.185  -6.452  -3.493
  101    HZ3  TRP  11           3HZ      TRP  11   9.298  -7.080   0.193
  102    HH2  TRP  11           HH2      TRP  11   9.114  -7.409  -2.258
  103    H    ARG  12           H        ARG  12   5.685  -2.217  -0.564
  104    HA   ARG  12           HA       ARG  12   8.068  -3.153  -1.643
  105   1HB   ARG  12          2HB       ARG  12   6.612  -0.542  -2.160
  106   2HB   ARG  12          1HB       ARG  12   7.790  -1.261  -3.254
  107   1HG   ARG  12          2HG       ARG  12   6.305  -3.366  -3.223
  108   2HG   ARG  12          1HG       ARG  12   5.073  -2.352  -2.471
  109   1HD   ARG  12          2HD       ARG  12   6.299  -2.061  -5.226
  110   2HD   ARG  12          1HD       ARG  12   4.584  -2.202  -4.792
  111    HE   ARG  12           HE       ARG  12   4.640   0.075  -3.962
  112   1HH1  ARG  12          2HH1      ARG  12   6.719  -0.407  -6.442
  113   2HH1  ARG  12          1HH1      ARG  12   7.832   0.860  -6.042
  114   1HH2  ARG  12          1HH2      ARG  12   6.465   1.432  -2.907
  115   2HH2  ARG  12          2HH2      ARG  12   7.687   1.900  -4.040
  116    H    ARG  13           H        ARG  13   7.600  -0.400   0.491
  117    HA   ARG  13           HA       ARG  13  10.347   0.606   0.062
  118   1HB   ARG  13          2HB       ARG  13   7.981   1.779   0.632
  119   2HB   ARG  13          1HB       ARG  13   8.595   1.564   2.272
  120   1HG   ARG  13          2HG       ARG  13   9.951   3.335   1.998
  121   2HG   ARG  13          1HG       ARG  13  10.749   2.510   0.656
  122   1HD   ARG  13          2HD       ARG  13   8.092   3.701   0.035
  123   2HD   ARG  13          1HD       ARG  13   9.415   4.848   0.330
  124    HE   ARG  13           HE       ARG  13   9.287   2.903  -1.888
  125   1HH1  ARG  13          1HH2      ARG  13  10.431   5.873  -1.172
  126   2HH1  ARG  13          2HH2      ARG  13  12.046   5.636  -1.753
  127   1HH2  ARG  13          1HH1      ARG  13  11.704   2.203  -2.094
  128   2HH2  ARG  13          2HH1      ARG  13  12.766   3.558  -2.274
  129   1HN   NH2  14          1HN       NH2  14  10.998  -1.803   0.913
  130   2HN   NH2  14          2HN       NH2  14  11.296  -1.897   2.581
  Start of MODEL    9
    1   1H    ILE   1          1H        ILE   1 -12.188   2.268   9.712
    2   2H    ILE   1          2H        ILE   1 -13.808   2.581   9.308
    3   3H    ILE   1          3H        ILE   1 -12.825   3.827   9.912
    4    HA   ILE   1           HA       ILE   1 -13.269   3.715   7.376
    5    HB   ILE   1           HB       ILE   1 -11.782   5.252   8.602
    6   1HG1  ILE   1          2HG1      ILE   1 -10.196   4.058   6.320
    7   2HG1  ILE   1          1HG1      ILE   1 -11.691   4.952   6.045
    8   1HG2  ILE   1          1HG2      ILE   1  -9.312   4.436   8.736
    9   2HG2  ILE   1          2HG2      ILE   1 -10.004   2.818   8.618
   10   3HG2  ILE   1          3HG2      ILE   1 -10.446   3.870   9.962
   11   1HD1  ILE   1          1HD1      ILE   1  -9.917   6.547   5.844
   12   2HD1  ILE   1          2HD1      ILE   1  -9.143   5.969   7.319
   13   3HD1  ILE   1          3HD1      ILE   1 -10.671   6.843   7.409
   14    H    LEU   2           H        LEU   2 -11.841   3.007   5.463
   15    HA   LEU   2           HA       LEU   2 -11.008   0.150   5.850
   16   1HB   LEU   2          2HB       LEU   2 -12.956   1.323   4.229
   17   2HB   LEU   2          1HB       LEU   2 -11.612   1.020   3.127
   18    HG   LEU   2           HG       LEU   2 -11.910  -1.249   4.857
   19   1HD1  LEU   2          1HD1      LEU   2 -14.272  -1.687   3.526
   20   2HD1  LEU   2          2HD1      LEU   2 -14.419   0.016   3.962
   21   3HD1  LEU   2          3HD1      LEU   2 -14.154  -1.196   5.216
   22   1HD2  LEU   2          1HD2      LEU   2 -10.987  -1.793   2.826
   23   2HD2  LEU   2          2HD2      LEU   2 -11.927  -0.579   1.958
   24   3HD2  LEU   2          3HD2      LEU   2 -12.670  -2.114   2.408
   25    H    ALA   3           H        ALA   3  -8.822   1.114   6.410
   26    HA   ALA   3           HA       ALA   3  -7.365   2.252   4.070
   27   1HB   ALA   3          1HB       ALA   3  -5.619   2.568   5.948
   28   2HB   ALA   3          2HB       ALA   3  -6.896   2.050   7.049
   29   3HB   ALA   3          3HB       ALA   3  -7.107   3.505   6.076
   30    H    TRP   4           H        TRP   4  -8.092  -0.570   4.057
   31    HA   TRP   4           HA       TRP   4  -5.898  -2.223   4.932
   32   1HB   TRP   4          2HB       TRP   4  -8.468  -2.474   3.813
   33   2HB   TRP   4          1HB       TRP   4  -7.377  -3.264   2.675
   34    HD1  TRP   4           HD1      TRP   4  -9.249  -3.963   5.708
   35    HE1  TRP   4           1HE      TRP   4  -8.345  -6.060   6.910
   36    HE3  TRP   4           3HE      TRP   4  -4.787  -4.502   3.292
   37    HZ2  TRP   4           2HZ      TRP   4  -6.029  -7.742   6.851
   38    HZ3  TRP   4           3HZ      TRP   4  -3.250  -6.356   3.883
   39    HH2  TRP   4           HH2      TRP   4  -3.865  -7.974   5.657
   40    H    LYS   5           H        LYS   5  -6.610  -0.582   1.862
   41    HA   LYS   5           HA       LYS   5  -4.402  -1.845   0.437
   42   1HB   LYS   5          2HB       LYS   5  -6.325   0.436  -0.035
   43   2HB   LYS   5          1HB       LYS   5  -5.030   0.090  -1.182
   44   1HG   LYS   5          2HG       LYS   5  -6.326  -2.375  -0.482
   45   2HG   LYS   5          1HG       LYS   5  -7.553  -1.204  -0.968
   46   1HD   LYS   5          2HD       LYS   5  -6.972  -1.997  -3.053
   47   2HD   LYS   5          1HD       LYS   5  -5.771  -0.714  -2.902
   48   1HE   LYS   5          2HE       LYS   5  -4.339  -2.614  -1.731
   49   2HE   LYS   5          1HE       LYS   5  -5.402  -3.683  -2.669
   50   1HZ   LYS   5          1HZ       LYS   5  -4.923  -1.978  -4.546
   51   2HZ   LYS   5          2HZ       LYS   5  -3.781  -3.189  -4.207
   52   3HZ   LYS   5          3HZ       LYS   5  -3.545  -1.610  -3.628
   53    H    TRP   6           H        TRP   6  -4.339   0.286   2.930
   54    HA   TRP   6           HA       TRP   6  -2.259   2.095   1.833
   55   1HB   TRP   6          2HB       TRP   6  -4.293   2.422   3.616
   56   2HB   TRP   6          1HB       TRP   6  -2.956   2.096   4.717
   57    HD1  TRP   6           HD1      TRP   6  -4.553   4.890   3.065
   58    HE1  TRP   6           1HE      TRP   6  -2.984   6.927   2.904
   59    HE3  TRP   6           3HE      TRP   6  -0.084   2.658   4.146
   60    HZ2  TRP   6           2HZ      TRP   6  -0.205   7.534   3.195
   61    HZ3  TRP   6           3HZ      TRP   6   2.004   3.990   4.197
   62    HH2  TRP   6           HH2      TRP   6   1.950   6.423   3.724
   63    H    ALA   7           H        ALA   7  -2.568  -0.285   4.506
   64    HA   ALA   7           HA       ALA   7   0.076  -0.250   5.456
   65   1HB   ALA   7          1HB       ALA   7  -1.529  -1.509   6.637
   66   2HB   ALA   7          2HB       ALA   7  -0.516  -2.756   5.910
   67   3HB   ALA   7          3HB       ALA   7  -2.072  -2.348   5.184
   68    H    TRP   8           H        TRP   8  -1.152  -1.481   2.433
   69    HA   TRP   8           HA       TRP   8   0.765  -3.427   1.729
   70   1HB   TRP   8          2HB       TRP   8  -1.069  -3.097   0.285
   71   2HB   TRP   8          1HB       TRP   8  -0.839  -1.353   0.244
   72    HD1  TRP   8           HD1      TRP   8   0.215  -0.520  -1.929
   73    HE1  TRP   8           1HE      TRP   8   1.726  -1.508  -3.760
   74    HE3  TRP   8           3HE      TRP   8   1.094  -5.102   0.068
   75    HZ2  TRP   8           2HZ      TRP   8   3.130  -3.940  -4.304
   76    HZ3  TRP   8           3HZ      TRP   8   2.518  -6.753  -1.116
   77    HH2  TRP   8           HH2      TRP   8   3.543  -6.172  -3.300
   78    H    TRP   9           H        TRP   9   0.925  -0.349   0.064
   79    HA   TRP   9           HA       TRP   9   3.566  -0.331  -0.601
   80   1HB   TRP   9          2HB       TRP   9   1.752   1.326  -1.166
   81   2HB   TRP   9          1HB       TRP   9   2.049   2.091   0.396
   82    HD1  TRP   9           HD1      TRP   9   3.493   1.725  -3.082
   83    HE1  TRP   9           1HE      TRP   9   5.563   3.254  -3.299
   84    HE3  TRP   9           3HE      TRP   9   4.026   3.127   1.761
   85    HZ2  TRP   9           2HZ      TRP   9   7.231   4.868  -1.604
   86    HZ3  TRP   9           3HZ      TRP   9   5.851   4.649   2.464
   87    HH2  TRP   9           HH2      TRP   9   7.458   5.525   0.782
   88    H    ALA  10           H        ALA  10   2.289   0.216   2.620
   89    HA   ALA  10           HA       ALA  10   4.624   1.450   3.786
   90   1HB   ALA  10          1HB       ALA  10   2.031   0.482   4.533
   91   2HB   ALA  10          2HB       ALA  10   3.084   1.578   5.427
   92   3HB   ALA  10          3HB       ALA  10   3.217  -0.164   5.666
   93    H    TRP  11           H        TRP  11   3.667  -1.901   3.194
   94    HA   TRP  11           HA       TRP  11   5.739  -3.138   4.778
   95   1HB   TRP  11          2HB       TRP  11   4.641  -5.019   4.068
   96   2HB   TRP  11          1HB       TRP  11   3.474  -3.893   3.380
   97    HD1  TRP  11           HD1      TRP  11   3.281  -3.795   0.797
   98    HE1  TRP  11           1HE      TRP  11   4.485  -4.973  -1.150
   99    HE3  TRP  11           3HE      TRP  11   7.088  -6.025   3.335
  100    HZ2  TRP  11           2HZ      TRP  11   6.759  -6.650  -1.577
  101    HZ3  TRP  11           3HZ      TRP  11   8.763  -7.411   2.144
  102    HH2  TRP  11           HH2      TRP  11   8.603  -7.724  -0.311
  103    H    ARG  12           H        ARG  12   5.456  -2.270   1.352
  104    HA   ARG  12           HA       ARG  12   7.804  -3.362   0.307
  105   1HB   ARG  12          2HB       ARG  12   6.475  -0.691  -0.245
  106   2HB   ARG  12          1HB       ARG  12   7.639  -1.464  -1.318
  107   1HG   ARG  12          2HG       ARG  12   6.050  -3.511  -1.265
  108   2HG   ARG  12          1HG       ARG  12   4.854  -2.403  -0.595
  109   1HD   ARG  12          2HD       ARG  12   6.178  -2.306  -3.315
  110   2HD   ARG  12          1HD       ARG  12   4.447  -2.283  -2.925
  111    HE   ARG  12           HE       ARG  12   4.789  -0.006  -1.972
  112   1HH1  ARG  12          2HH1      ARG  12   6.306  -0.894  -4.792
  113   2HH1  ARG  12          1HH1      ARG  12   7.462   0.397  -4.803
  114   1HH2  ARG  12          1HH2      ARG  12   6.702   1.460  -1.591
  115   2HH2  ARG  12          2HH2      ARG  12   7.686   1.730  -2.991
  116    H    ARG  13           H        ARG  13   7.407  -0.333   2.133
  117    HA   ARG  13           HA       ARG  13   9.884   0.894   1.840
  118   1HB   ARG  13          2HB       ARG  13   7.905   1.620   3.209
  119   2HB   ARG  13          1HB       ARG  13   8.383   0.448   4.440
  120   1HG   ARG  13          2HG       ARG  13   9.969   1.829   5.249
  121   2HG   ARG  13          1HG       ARG  13  10.635   2.100   3.637
  122   1HD   ARG  13          2HD       ARG  13   8.072   3.459   4.507
  123   2HD   ARG  13          1HD       ARG  13   9.661   4.173   4.848
  124    HE   ARG  13           HE       ARG  13   8.530   3.702   2.137
  125   1HH1  ARG  13          1HH2      ARG  13   9.867   6.154   3.699
  126   2HH1  ARG  13          2HH2      ARG  13  11.256   6.374   2.688
  127   1HH2  ARG  13          1HH1      ARG  13  10.858   3.354   1.031
  128   2HH2  ARG  13          2HH1      ARG  13  11.816   4.788   1.177
  129   1HN   NH2  14          1HN       NH2  14   9.195  -2.118   3.597
  130   2HN   NH2  14          2HN       NH2  14  10.796  -2.424   4.070
  Start of MODEL   10
    1   1H    ILE   1          1H        ILE   1 -13.814  -0.402   8.222
    2   2H    ILE   1          2H        ILE   1 -13.104   1.121   7.971
    3   3H    ILE   1          3H        ILE   1 -12.869   0.303   9.442
    4    HA   ILE   1           HA       ILE   1 -10.907  -0.271   8.475
    5    HB   ILE   1           HB       ILE   1 -12.877  -2.167   7.158
    6   1HG1  ILE   1          2HG1      ILE   1 -11.680  -2.341   9.938
    7   2HG1  ILE   1          1HG1      ILE   1 -13.294  -1.705   9.618
    8   1HG2  ILE   1          1HG2      ILE   1 -10.123  -2.094   7.000
    9   2HG2  ILE   1          2HG2      ILE   1 -11.109  -3.539   6.777
   10   3HG2  ILE   1          3HG2      ILE   1 -10.393  -3.194   8.351
   11   1HD1  ILE   1          1HD1      ILE   1 -12.434  -4.427   8.632
   12   2HD1  ILE   1          2HD1      ILE   1 -14.072  -3.792   8.793
   13   3HD1  ILE   1          3HD1      ILE   1 -13.137  -4.197  10.233
   14    H    LEU   2           H        LEU   2 -10.995   1.828   7.047
   15    HA   LEU   2           HA       LEU   2 -11.362   1.181   4.156
   16   1HB   LEU   2          2HB       LEU   2 -11.570   3.525   5.926
   17   2HB   LEU   2          1HB       LEU   2 -10.760   3.866   4.395
   18    HG   LEU   2           HG       LEU   2 -13.384   2.371   4.539
   19   1HD1  LEU   2          1HD1      LEU   2 -14.268   4.345   5.239
   20   2HD1  LEU   2          2HD1      LEU   2 -13.993   4.868   3.577
   21   3HD1  LEU   2          3HD1      LEU   2 -12.810   5.248   4.828
   22   1HD2  LEU   2          1HD2      LEU   2 -12.850   2.078   2.357
   23   2HD2  LEU   2          2HD2      LEU   2 -11.519   3.230   2.455
   24   3HD2  LEU   2          3HD2      LEU   2 -13.161   3.802   2.160
   25    H    ALA   3           H        ALA   3  -9.399   0.067   3.687
   26    HA   ALA   3           HA       ALA   3  -7.131   1.527   2.929
   27   1HB   ALA   3          1HB       ALA   3  -7.352   0.935   5.810
   28   2HB   ALA   3          2HB       ALA   3  -6.377   2.151   4.986
   29   3HB   ALA   3          3HB       ALA   3  -5.801   0.488   5.098
   30    H    TRP   4           H        TRP   4  -5.743   0.142   1.843
   31    HA   TRP   4           HA       TRP   4  -5.092  -2.537   2.447
   32   1HB   TRP   4          2HB       TRP   4  -7.792  -2.218   1.720
   33   2HB   TRP   4          1HB       TRP   4  -7.008  -2.898   0.296
   34    HD1  TRP   4           HD1      TRP   4  -8.608  -3.977   3.345
   35    HE1  TRP   4           1HE      TRP   4  -7.904  -6.369   4.002
   36    HE3  TRP   4           3HE      TRP   4  -4.524  -4.550   0.335
   37    HZ2  TRP   4           2HZ      TRP   4  -5.873  -8.272   3.338
   38    HZ3  TRP   4           3HZ      TRP   4  -3.224  -6.658   0.367
   39    HH2  TRP   4           HH2      TRP   4  -3.892  -8.519   1.864
   40    H    LYS   5           H        LYS   5  -6.321  -0.922  -0.491
   41    HA   LYS   5           HA       LYS   5  -4.158  -1.863  -2.167
   42   1HB   LYS   5          2HB       LYS   5  -6.379   0.166  -2.331
   43   2HB   LYS   5          1HB       LYS   5  -5.171   0.080  -3.615
   44   1HG   LYS   5          2HG       LYS   5  -5.858  -2.583  -3.170
   45   2HG   LYS   5          1HG       LYS   5  -7.394  -1.723  -3.048
   46   1HD   LYS   5          2HD       LYS   5  -7.312  -2.030  -5.337
   47   2HD   LYS   5          1HD       LYS   5  -6.460  -0.490  -5.219
   48   1HE   LYS   5          2HE       LYS   5  -4.376  -1.458  -5.613
   49   2HE   LYS   5          1HE       LYS   5  -4.882  -3.041  -4.991
   50   1HZ   LYS   5          1HZ       LYS   5  -4.828  -3.142  -7.376
   51   2HZ   LYS   5          2HZ       LYS   5  -5.790  -1.748  -7.508
   52   3HZ   LYS   5          3HZ       LYS   5  -6.448  -3.181  -6.876
   53    H    TRP   6           H        TRP   6  -4.210   0.421   0.285
   54    HA   TRP   6           HA       TRP   6  -2.369   2.372  -0.942
   55   1HB   TRP   6          2HB       TRP   6  -4.166   2.304   1.240
   56   2HB   TRP   6          1HB       TRP   6  -2.565   2.445   1.959
   57    HD1  TRP   6           HD1      TRP   6  -5.145   4.645   1.090
   58    HE1  TRP   6           1HE      TRP   6  -4.305   6.942   0.275
   59    HE3  TRP   6           3HE      TRP   6  -0.280   3.489   0.045
   60    HZ2  TRP   6           2HZ      TRP   6  -1.890   8.133  -0.693
   61    HZ3  TRP   6           3HZ      TRP   6   1.266   5.221  -0.821
   62    HH2  TRP   6           HH2      TRP   6   0.468   7.539  -1.191
   63    H    ALA   7           H        ALA   7  -2.213  -0.056   1.684
   64    HA   ALA   7           HA       ALA   7   0.474   0.145   2.418
   65   1HB   ALA   7          1HB       ALA   7  -1.593  -2.005   2.254
   66   2HB   ALA   7          2HB       ALA   7  -0.752  -1.369   3.668
   67   3HB   ALA   7          3HB       ALA   7   0.064  -2.504   2.594
   68    H    TRP   8           H        TRP   8  -0.905  -1.247  -0.505
   69    HA   TRP   8           HA       TRP   8   1.075  -2.888  -1.524
   70   1HB   TRP   8          2HB       TRP   8  -0.820  -2.554  -2.856
   71   2HB   TRP   8          1HB       TRP   8  -0.747  -0.803  -2.693
   72    HD1  TRP   8           HD1      TRP   8   0.081   0.381  -4.788
   73    HE1  TRP   8           1HE      TRP   8   1.544  -0.224  -6.814
   74    HE3  TRP   8           3HE      TRP   8   1.476  -4.329  -3.471
   75    HZ2  TRP   8           2HZ      TRP   8   3.107  -2.424  -7.754
   76    HZ3  TRP   8           3HZ      TRP   8   2.952  -5.669  -4.947
   77    HH2  TRP   8           HH2      TRP   8   3.774  -4.718  -7.085
   78    H    TRP   9           H        TRP   9   1.028   0.367  -2.865
   79    HA   TRP   9           HA       TRP   9   3.672   0.544  -3.629
   80   1HB   TRP   9          2HB       TRP   9   1.735   2.128  -4.025
   81   2HB   TRP   9          1HB       TRP   9   2.066   2.813  -2.433
   82    HD1  TRP   9           HD1      TRP   9   3.355   2.730  -5.983
   83    HE1  TRP   9           1HE      TRP   9   5.341   4.366  -6.200
   84    HE3  TRP   9           3HE      TRP   9   4.081   3.854  -1.083
   85    HZ2  TRP   9           2HZ      TRP   9   7.022   5.947  -4.492
   86    HZ3  TRP   9           3HZ      TRP   9   5.872   5.419  -0.383
   87    HH2  TRP   9           HH2      TRP   9   7.345   6.469  -2.084
   88    H    ALA  10           H        ALA  10   2.442   0.722  -0.362
   89    HA   ALA  10           HA       ALA  10   4.801   1.996   0.796
   90   1HB   ALA  10          1HB       ALA  10   2.743   0.247   2.158
   91   2HB   ALA  10          2HB       ALA  10   2.386   1.903   1.665
   92   3HB   ALA  10          3HB       ALA  10   3.652   1.589   2.852
   93    H    TRP  11           H        TRP  11   3.509  -1.333   1.178
   94    HA   TRP  11           HA       TRP  11   5.698  -2.560   2.370
   95   1HB   TRP  11          2HB       TRP  11   4.478  -4.434   1.883
   96   2HB   TRP  11          1HB       TRP  11   3.309  -3.307   1.203
   97    HD1  TRP  11           HD1      TRP  11   2.717  -3.705  -1.240
   98    HE1  TRP  11           1HE      TRP  11   3.761  -4.977  -3.218
   99    HE3  TRP  11           3HE      TRP  11   7.106  -5.145   0.875
  100    HZ2  TRP  11           2HZ      TRP  11   6.157  -6.411  -3.827
  101    HZ3  TRP  11           3HZ      TRP  11   8.765  -6.458  -0.415
  102    HH2  TRP  11           HH2      TRP  11   8.297  -7.090  -2.767
  103    H    ARG  12           H        ARG  12   5.175  -1.997  -1.089
  104    HA   ARG  12           HA       ARG  12   7.212  -3.234  -2.371
  105   1HB   ARG  12          2HB       ARG  12   6.316  -0.351  -2.588
  106   2HB   ARG  12          1HB       ARG  12   7.316  -1.145  -3.804
  107   1HG   ARG  12          2HG       ARG  12   5.539  -2.913  -4.020
  108   2HG   ARG  12          1HG       ARG  12   4.524  -1.956  -2.942
  109   1HD   ARG  12          2HD       ARG  12   3.807  -1.157  -5.016
  110   2HD   ARG  12          1HD       ARG  12   5.121  -0.015  -4.682
  111    HE   ARG  12           HE       ARG  12   5.484  -2.486  -6.338
  112   1HH1  ARG  12          2HH1      ARG  12   5.194   0.687  -6.934
  113   2HH1  ARG  12          1HH1      ARG  12   6.795   0.959  -7.534
  114   1HH2  ARG  12          1HH2      ARG  12   8.001  -2.114  -6.474
  115   2HH2  ARG  12          2HH2      ARG  12   8.384  -0.626  -7.273
  116    H    ARG  13           H        ARG  13   7.588  -0.336  -0.344
  117    HA   ARG  13           HA       ARG  13  10.329   0.221  -0.869
  118   1HB   ARG  13          2HB       ARG  13   8.742   1.695   0.310
  119   2HB   ARG  13          1HB       ARG  13   8.659   0.547   1.646
  120   1HG   ARG  13          2HG       ARG  13  10.679   1.186   2.488
  121   2HG   ARG  13          1HG       ARG  13  11.392   1.380   0.886
  122   1HD   ARG  13          2HD       ARG  13   9.310   3.336   1.883
  123   2HD   ARG  13          1HD       ARG  13  11.027   3.542   2.285
  124    HE   ARG  13           HE       ARG  13   9.875   3.644  -0.453
  125   1HH1  ARG  13          1HH2      ARG  13  11.753   5.610   1.101
  126   2HH1  ARG  13          2HH2      ARG  13  13.210   5.403   0.189
  127   1HH2  ARG  13          1HH1      ARG  13  12.118   2.521  -1.401
  128   2HH2  ARG  13          2HH1      ARG  13  13.416   3.653  -1.229
  129   1HN   NH2  14          1HN       NH2  14   8.835  -2.049   1.481
  130   2HN   NH2  14          2HN       NH2  14  10.287  -2.806   1.927
  Start of MODEL   11
    1   1H    ILE   1          1H        ILE   1  -9.488   6.217   3.134
    2   2H    ILE   1          2H        ILE   1 -10.789   5.341   3.788
    3   3H    ILE   1          3H        ILE   1 -10.697   5.608   2.113
    4    HA   ILE   1           HA       ILE   1 -10.020   3.308   2.935
    5    HB   ILE   1           HB       ILE   1  -9.631   4.437   0.703
    6   1HG1  ILE   1          2HG1      ILE   1  -7.144   2.907   1.098
    7   2HG1  ILE   1          1HG1      ILE   1  -8.586   2.100   1.719
    8   1HG2  ILE   1          1HG2      ILE   1  -7.596   5.549   0.251
    9   2HG2  ILE   1          2HG2      ILE   1  -6.825   4.915   1.705
   10   3HG2  ILE   1          3HG2      ILE   1  -8.064   6.164   1.836
   11   1HD1  ILE   1          1HD1      ILE   1  -7.761   2.096  -0.925
   12   2HD1  ILE   1          2HD1      ILE   1  -9.013   3.338  -0.903
   13   3HD1  ILE   1          3HD1      ILE   1  -9.385   1.702  -0.360
   14    H    LEU   2           H        LEU   2  -9.146   5.381   5.048
   15    HA   LEU   2           HA       LEU   2  -6.310   4.610   5.474
   16   1HB   LEU   2          2HB       LEU   2  -8.198   6.722   6.301
   17   2HB   LEU   2          1HB       LEU   2  -7.101   6.195   7.578
   18    HG   LEU   2           HG       LEU   2  -5.383   6.370   5.461
   19   1HD1  LEU   2          1HD1      LEU   2  -7.565   8.437   5.109
   20   2HD1  LEU   2          2HD1      LEU   2  -6.940   7.308   3.907
   21   3HD1  LEU   2          3HD1      LEU   2  -5.940   8.652   4.458
   22   1HD2  LEU   2          1HD2      LEU   2  -6.229   8.419   7.520
   23   2HD2  LEU   2          2HD2      LEU   2  -4.851   8.680   6.451
   24   3HD2  LEU   2          3HD2      LEU   2  -4.847   7.326   7.579
   25    H    ALA   3           H        ALA   3  -7.044   2.283   5.864
   26    HA   ALA   3           HA       ALA   3  -7.036   1.640   8.639
   27   1HB   ALA   3          1HB       ALA   3  -9.614   2.301   7.391
   28   2HB   ALA   3          2HB       ALA   3  -9.184   2.223   9.099
   29   3HB   ALA   3          3HB       ALA   3  -9.621   0.752   8.231
   30    H    TRP   4           H        TRP   4  -6.262  -0.452   8.662
   31    HA   TRP   4           HA       TRP   4  -6.013  -2.737   8.073
   32   1HB   TRP   4          2HB       TRP   4  -8.570  -2.045   7.289
   33   2HB   TRP   4          1HB       TRP   4  -7.855  -2.634   5.787
   34    HD1  TRP   4           HD1      TRP   4  -9.727  -3.906   8.542
   35    HE1  TRP   4           1HE      TRP   4  -9.315  -6.420   8.937
   36    HE3  TRP   4           3HE      TRP   4  -5.472  -4.542   5.796
   37    HZ2  TRP   4           2HZ      TRP   4  -7.427  -8.434   8.189
   38    HZ3  TRP   4           3HZ      TRP   4  -4.387  -6.766   5.655
   39    HH2  TRP   4           HH2      TRP   4  -5.357  -8.711   6.847
   40    H    LYS   5           H        LYS   5  -6.599  -0.709   5.197
   41    HA   LYS   5           HA       LYS   5  -4.566  -2.084   3.617
   42   1HB   LYS   5          2HB       LYS   5  -6.276   0.397   3.332
   43   2HB   LYS   5          1HB       LYS   5  -5.088  -0.048   2.106
   44   1HG   LYS   5          2HG       LYS   5  -6.644  -2.366   2.831
   45   2HG   LYS   5          1HG       LYS   5  -7.721  -1.044   2.378
   46   1HD   LYS   5          2HD       LYS   5  -7.236  -1.386   0.211
   47   2HD   LYS   5          1HD       LYS   5  -5.534  -1.059   0.542
   48   1HE   LYS   5          2HE       LYS   5  -5.676  -3.580   1.505
   49   2HE   LYS   5          1HE       LYS   5  -6.927  -3.672   0.251
   50   1HZ   LYS   5          1HZ       LYS   5  -5.403  -2.762  -1.347
   51   2HZ   LYS   5          2HZ       LYS   5  -4.676  -4.117  -0.622
   52   3HZ   LYS   5          3HZ       LYS   5  -4.207  -2.550  -0.162
   53    H    TRP   6           H        TRP   6  -4.340   0.018   6.169
   54    HA   TRP   6           HA       TRP   6  -2.080   1.628   5.129
   55   1HB   TRP   6          2HB       TRP   6  -4.056   1.884   7.164
   56   2HB   TRP   6          1HB       TRP   6  -2.498   1.808   7.982
   57    HD1  TRP   6           HD1      TRP   6  -4.708   4.278   6.612
   58    HE1  TRP   6           1HE      TRP   6  -3.456   6.421   5.918
   59    HE3  TRP   6           3HE      TRP   6   0.097   2.538   6.603
   60    HZ2  TRP   6           2HZ      TRP   6  -0.775   7.285   5.424
   61    HZ3  TRP   6           3HZ      TRP   6   1.977   4.041   6.017
   62    HH2  TRP   6           HH2      TRP   6   1.547   6.411   5.429
   63    H    ALA   7           H        ALA   7  -2.640  -0.786   7.722
   64    HA   ALA   7           HA       ALA   7  -0.035  -1.089   8.694
   65   1HB   ALA   7          1HB       ALA   7  -1.595  -3.564   8.197
   66   2HB   ALA   7          2HB       ALA   7  -2.468  -2.276   9.028
   67   3HB   ALA   7          3HB       ALA   7  -0.976  -2.917   9.716
   68    H    TRP   8           H        TRP   8  -1.362  -2.064   5.608
   69    HA   TRP   8           HA       TRP   8   0.575  -4.042   4.859
   70   1HB   TRP   8          2HB       TRP   8  -1.423  -3.875   3.594
   71   2HB   TRP   8          1HB       TRP   8  -1.264  -2.130   3.420
   72    HD1  TRP   8           HD1      TRP   8  -0.481  -1.438   1.088
   73    HE1  TRP   8           1HE      TRP   8   0.938  -2.488  -0.781
   74    HE3  TRP   8           3HE      TRP   8   0.865  -5.767   3.366
   75    HZ2  TRP   8           2HZ      TRP   8   2.455  -4.870  -1.246
   76    HZ3  TRP   8           3HZ      TRP   8   2.295  -7.427   2.202
   77    HH2  TRP   8           HH2      TRP   8   3.099  -6.977  -0.102
   78    H    TRP   9           H        TRP   9   0.385  -1.077   3.011
   79    HA   TRP   9           HA       TRP   9   2.967  -0.914   2.160
   80   1HB   TRP   9          2HB       TRP   9   1.001   0.552   1.601
   81   2HB   TRP   9          1HB       TRP   9   1.315   1.444   3.091
   82    HD1  TRP   9           HD1      TRP   9   2.604   0.955  -0.435
   83    HE1  TRP   9           1HE      TRP   9   4.510   2.642  -0.874
   84    HE3  TRP   9           3HE      TRP   9   3.250   2.748   4.263
   85    HZ2  TRP   9           2HZ      TRP   9   6.105   4.517   0.607
   86    HZ3  TRP   9           3HZ      TRP   9   4.960   4.477   4.752
   87    HH2  TRP   9           HH2      TRP   9   6.390   5.365   2.926
   88    H    ALA  10           H        ALA  10   1.860  -0.231   5.416
   89    HA   ALA  10           HA       ALA  10   4.156   1.257   6.333
   90   1HB   ALA  10          1HB       ALA  10   1.944  -0.379   7.548
   91   2HB   ALA  10          2HB       ALA  10   2.236   1.355   7.676
   92   3HB   ALA  10          3HB       ALA  10   3.250   0.222   8.570
   93    H    TRP  11           H        TRP  11   3.460  -2.183   5.980
   94    HA   TRP  11           HA       TRP  11   5.727  -3.137   7.513
   95   1HB   TRP  11          2HB       TRP  11   4.731  -5.146   7.040
   96   2HB   TRP  11          1HB       TRP  11   3.425  -4.165   6.381
   97    HD1  TRP  11           HD1      TRP  11   2.990  -4.314   3.833
   98    HE1  TRP  11           1HE      TRP  11   4.123  -5.544   1.873
   99    HE3  TRP  11           3HE      TRP  11   7.200  -5.988   6.155
  100    HZ2  TRP  11           2HZ      TRP  11   6.498  -7.047   1.358
  101    HZ3  TRP  11           3HZ      TRP  11   8.886  -7.317   4.916
  102    HH2  TRP  11           HH2      TRP  11   8.541  -7.845   2.518
  103    H    ARG  12           H        ARG  12   5.109  -2.668   4.048
  104    HA   ARG  12           HA       ARG  12   7.409  -3.665   2.879
  105   1HB   ARG  12          2HB       ARG  12   5.910  -1.094   2.297
  106   2HB   ARG  12          1HB       ARG  12   7.030  -1.861   1.175
  107   1HG   ARG  12          2HG       ARG  12   5.576  -3.983   1.445
  108   2HG   ARG  12          1HG       ARG  12   4.373  -2.918   2.173
  109   1HD   ARG  12          2HD       ARG  12   5.454  -2.864  -0.654
  110   2HD   ARG  12          1HD       ARG  12   3.764  -2.930  -0.115
  111    HE   ARG  12           HE       ARG  12   3.939  -0.593   0.573
  112   1HH1  ARG  12          2HH1      ARG  12   5.369  -1.049  -2.235
  113   2HH1  ARG  12          1HH1      ARG  12   6.654   0.100  -2.065
  114   1HH2  ARG  12          1HH2      ARG  12   6.179   0.527   1.343
  115   2HH2  ARG  12          2HH2      ARG  12   7.113   0.992  -0.040
  116    H    ARG  13           H        ARG  13   7.049  -0.325   4.144
  117    HA   ARG  13           HA       ARG  13   9.564   0.727   3.672
  118   1HB   ARG  13          2HB       ARG  13   7.584   1.761   4.848
  119   2HB   ARG  13          1HB       ARG  13   8.059   0.880   6.301
  120   1HG   ARG  13          2HG       ARG  13  10.053   2.099   6.543
  121   2HG   ARG  13          1HG       ARG  13  10.046   2.624   4.859
  122   1HD   ARG  13          2HD       ARG  13   9.355   4.557   6.093
  123   2HD   ARG  13          1HD       ARG  13   7.842   3.872   5.465
  124    HE   ARG  13           HE       ARG  13   8.590   3.962   8.271
  125   1HH1  ARG  13          1HH1      ARG  13   5.834   3.651   6.848
  126   2HH1  ARG  13          2HH1      ARG  13   5.335   2.124   7.496
  127   1HH2  ARG  13          1HH2      ARG  13   8.489   1.294   8.673
  128   2HH2  ARG  13          2HH2      ARG  13   6.838   0.789   8.528
  129   1HN   NH2  14          1HN       NH2  14   8.724  -1.623   6.255
  130   2HN   NH2  14          2HN       NH2  14  10.328  -1.963   6.698
  Start of MODEL   12
    1   1H    ILE   1          1H        ILE   1  -8.575   2.720   0.042
    2   2H    ILE   1          2H        ILE   1 -10.117   2.079   0.351
    3   3H    ILE   1          3H        ILE   1  -8.797   1.630   1.322
    4    HA   ILE   1           HA       ILE   1  -9.570   4.472   1.155
    5    HB   ILE   1           HB       ILE   1 -11.580   2.972   1.523
    6   1HG1  ILE   1          2HG1      ILE   1 -10.960   4.465   4.064
    7   2HG1  ILE   1          1HG1      ILE   1 -11.138   5.345   2.545
    8   1HG2  ILE   1          1HG2      ILE   1  -9.774   1.600   3.165
    9   2HG2  ILE   1          2HG2      ILE   1 -11.507   1.303   3.038
   10   3HG2  ILE   1          3HG2      ILE   1 -10.887   2.382   4.286
   11   1HD1  ILE   1          1HD1      ILE   1 -13.379   4.582   2.250
   12   2HD1  ILE   1          2HD1      ILE   1 -13.265   5.078   3.939
   13   3HD1  ILE   1          3HD1      ILE   1 -13.207   3.366   3.516
   14    H    LEU   2           H        LEU   2  -9.209   5.317   3.519
   15    HA   LEU   2           HA       LEU   2  -6.497   4.630   4.314
   16   1HB   LEU   2          2HB       LEU   2  -8.638   6.570   4.983
   17   2HB   LEU   2          1HB       LEU   2  -7.489   6.237   6.278
   18    HG   LEU   2           HG       LEU   2  -5.617   6.739   4.738
   19   1HD1  LEU   2          1HD1      LEU   2  -7.634   7.802   2.772
   20   2HD1  LEU   2          2HD1      LEU   2  -7.133   6.112   2.700
   21   3HD1  LEU   2          3HD1      LEU   2  -5.938   7.394   2.508
   22   1HD2  LEU   2          1HD2      LEU   2  -6.709   8.527   6.138
   23   2HD2  LEU   2          2HD2      LEU   2  -7.692   8.953   4.736
   24   3HD2  LEU   2          3HD2      LEU   2  -5.940   9.144   4.675
   25    H    ALA   3           H        ALA   3  -7.051   2.263   4.777
   26    HA   ALA   3           HA       ALA   3  -7.121   1.721   7.556
   27   1HB   ALA   3          1HB       ALA   3  -9.595   0.739   7.388
   28   2HB   ALA   3          2HB       ALA   3  -9.746   1.978   6.142
   29   3HB   ALA   3          3HB       ALA   3  -9.316   2.433   7.792
   30    H    TRP   4           H        TRP   4  -6.213  -0.313   7.649
   31    HA   TRP   4           HA       TRP   4  -5.846  -2.604   7.164
   32   1HB   TRP   4          2HB       TRP   4  -8.446  -2.047   6.325
   33   2HB   TRP   4          1HB       TRP   4  -7.691  -2.777   4.907
   34    HD1  TRP   4           HD1      TRP   4  -9.510  -3.767   7.842
   35    HE1  TRP   4           1HE      TRP   4  -9.034  -6.215   8.499
   36    HE3  TRP   4           3HE      TRP   4  -5.317  -4.625   5.059
   37    HZ2  TRP   4           2HZ      TRP   4  -7.124  -8.265   7.920
   38    HZ3  TRP   4           3HZ      TRP   4  -4.190  -6.830   5.131
   39    HH2  TRP   4           HH2      TRP   4  -5.086  -8.650   6.557
   40    H    LYS   5           H        LYS   5  -6.542  -0.725   4.209
   41    HA   LYS   5           HA       LYS   5  -4.485  -2.095   2.659
   42   1HB   LYS   5          2HB       LYS   5  -6.233   0.351   2.295
   43   2HB   LYS   5          1HB       LYS   5  -5.074  -0.159   1.067
   44   1HG   LYS   5          2HG       LYS   5  -7.012  -2.162   2.186
   45   2HG   LYS   5          1HG       LYS   5  -7.554  -1.027   0.950
   46   1HD   LYS   5          2HD       LYS   5  -6.141  -1.903  -0.672
   47   2HD   LYS   5          1HD       LYS   5  -4.984  -2.502   0.515
   48   1HE   LYS   5          2HE       LYS   5  -6.072  -4.498   0.734
   49   2HE   LYS   5          1HE       LYS   5  -7.671  -3.727   0.711
   50   1HZ   LYS   5          1HZ       LYS   5  -7.303  -5.001  -1.315
   51   2HZ   LYS   5          2HZ       LYS   5  -5.895  -4.109  -1.644
   52   3HZ   LYS   5          3HZ       LYS   5  -7.413  -3.344  -1.664
   53    H    TRP   6           H        TRP   6  -4.269   0.072   5.148
   54    HA   TRP   6           HA       TRP   6  -2.080   1.728   4.033
   55   1HB   TRP   6          2HB       TRP   6  -4.012   1.943   6.125
   56   2HB   TRP   6          1HB       TRP   6  -2.425   1.957   6.885
   57    HD1  TRP   6           HD1      TRP   6  -4.798   4.283   5.514
   58    HE1  TRP   6           1HE      TRP   6  -3.668   6.465   4.736
   59    HE3  TRP   6           3HE      TRP   6   0.086   2.777   5.437
   60    HZ2  TRP   6           2HZ      TRP   6  -1.045   7.446   4.157
   61    HZ3  TRP   6           3HZ      TRP   6   1.877   4.355   4.769
   62    HH2  TRP   6           HH2      TRP   6   1.318   6.686   4.130
   63    H    ALA   7           H        ALA   7  -2.509  -0.646   6.685
   64    HA   ALA   7           HA       ALA   7   0.128  -0.841   7.598
   65   1HB   ALA   7          1HB       ALA   7  -1.138  -3.440   7.359
   66   2HB   ALA   7          2HB       ALA   7  -2.330  -2.219   7.802
   67   3HB   ALA   7          3HB       ALA   7  -0.900  -2.458   8.805
   68    H    TRP   8           H        TRP   8  -1.262  -2.017   4.599
   69    HA   TRP   8           HA       TRP   8   0.679  -3.959   3.845
   70   1HB   TRP   8          2HB       TRP   8  -1.300  -3.801   2.567
   71   2HB   TRP   8          1HB       TRP   8  -1.168  -2.052   2.415
   72    HD1  TRP   8           HD1      TRP   8  -0.375  -1.296   0.109
   73    HE1  TRP   8           1HE      TRP   8   1.020  -2.308  -1.799
   74    HE3  TRP   8           3HE      TRP   8   0.960  -5.695   2.261
   75    HZ2  TRP   8           2HZ      TRP   8   2.514  -4.686  -2.341
   76    HZ3  TRP   8           3HZ      TRP   8   2.368  -7.332   1.041
   77    HH2  TRP   8           HH2      TRP   8   3.153  -6.827  -1.258
   78    H    TRP   9           H        TRP   9   0.502  -0.974   2.020
   79    HA   TRP   9           HA       TRP   9   3.073  -0.835   1.125
   80   1HB   TRP   9          2HB       TRP   9   1.110   0.665   0.629
   81   2HB   TRP   9          1HB       TRP   9   1.475   1.535   2.120
   82    HD1  TRP   9           HD1      TRP   9   2.668   1.064  -1.442
   83    HE1  TRP   9           1HE      TRP   9   4.590   2.726  -1.909
   84    HE3  TRP   9           3HE      TRP   9   3.462   2.791   3.258
   85    HZ2  TRP   9           2HZ      TRP   9   6.254   4.556  -0.447
   86    HZ3  TRP   9           3HZ      TRP   9   5.211   4.485   3.725
   87    HH2  TRP   9           HH2      TRP   9   6.610   5.372   1.874
   88    H    ALA  10           H        ALA  10   2.034  -0.184   4.412
   89    HA   ALA  10           HA       ALA  10   4.370   1.262   5.300
   90   1HB   ALA  10          1HB       ALA  10   1.970  -0.027   6.377
   91   2HB   ALA  10          2HB       ALA  10   2.794   1.434   6.923
   92   3HB   ALA  10          3HB       ALA  10   3.352  -0.150   7.464
   93    H    TRP  11           H        TRP  11   3.608  -2.165   4.936
   94    HA   TRP  11           HA       TRP  11   5.880  -3.177   6.417
   95   1HB   TRP  11          2HB       TRP  11   4.862  -5.167   5.902
   96   2HB   TRP  11          1HB       TRP  11   3.560  -4.157   5.279
   97    HD1  TRP  11           HD1      TRP  11   3.099  -4.247   2.734
   98    HE1  TRP  11           1HE      TRP  11   4.202  -5.433   0.733
   99    HE3  TRP  11           3HE      TRP  11   7.324  -6.000   4.969
  100    HZ2  TRP  11           2HZ      TRP  11   6.563  -6.934   0.154
  101    HZ3  TRP  11           3HZ      TRP  11   8.990  -7.305   3.677
  102    HH2  TRP  11           HH2      TRP  11   8.614  -7.772   1.271
  103    H    ARG  12           H        ARG  12   5.240  -2.607   2.972
  104    HA   ARG  12           HA       ARG  12   7.524  -3.595   1.762
  105   1HB   ARG  12          2HB       ARG  12   6.027  -1.007   1.258
  106   2HB   ARG  12          1HB       ARG  12   7.143  -1.741   0.109
  107   1HG   ARG  12          2HG       ARG  12   5.687  -3.873   0.334
  108   2HG   ARG  12          1HG       ARG  12   4.487  -2.820   1.081
  109   1HD   ARG  12          2HD       ARG  12   5.574  -2.703  -1.742
  110   2HD   ARG  12          1HD       ARG  12   3.883  -2.783  -1.208
  111    HE   ARG  12           HE       ARG  12   4.090  -0.466  -0.405
  112   1HH1  ARG  12          1HH2      ARG  12   5.142  -0.679  -3.343
  113   2HH1  ARG  12          2HH2      ARG  12   6.494   0.399  -3.248
  114   1HH2  ARG  12          2HH1      ARG  12   6.528   0.477   0.218
  115   2HH2  ARG  12          1HH1      ARG  12   7.279   1.053  -1.232
  116    H    ARG  13           H        ARG  13   7.216  -0.609   3.643
  117    HA   ARG  13           HA       ARG  13   9.765   0.535   2.987
  118   1HB   ARG  13          2HB       ARG  13   7.997   1.821   4.016
  119   2HB   ARG  13          1HB       ARG  13   7.921   0.714   5.388
  120   1HG   ARG  13          2HG       ARG  13   9.961   1.466   6.273
  121   2HG   ARG  13          1HG       ARG  13  10.487   2.145   4.732
  122   1HD   ARG  13          2HD       ARG  13   9.850   4.085   5.901
  123   2HD   ARG  13          1HD       ARG  13   8.345   3.691   5.044
  124    HE   ARG  13           HE       ARG  13   7.430   2.829   7.101
  125   1HH1  ARG  13          1HH1      ARG  13   9.139   5.280   8.002
  126   2HH1  ARG  13          2HH1      ARG  13   9.861   4.628   9.434
  127   1HH2  ARG  13          1HH2      ARG  13   9.040   1.345   8.672
  128   2HH2  ARG  13          2HH2      ARG  13   9.806   2.399   9.813
  129   1HN   NH2  14          1HN       NH2  14   9.260  -0.344   6.374
  130   2HN   NH2  14          2HN       NH2  14  10.638  -1.325   6.526
  Start of MODEL   13
    1   1H    ILE   1          1H        ILE   1 -14.521   3.563   8.195
    2   2H    ILE   1          2H        ILE   1 -13.521   3.805   9.548
    3   3H    ILE   1          3H        ILE   1 -13.457   2.339   8.691
    4    HA   ILE   1           HA       ILE   1 -12.845   4.873   7.304
    5    HB   ILE   1           HB       ILE   1 -11.620   4.735   9.493
    6   1HG1  ILE   1          2HG1      ILE   1  -9.561   4.162   7.407
    7   2HG1  ILE   1          1HG1      ILE   1 -10.670   5.501   7.102
    8   1HG2  ILE   1          1HG2      ILE   1  -9.812   2.621   8.686
    9   2HG2  ILE   1          2HG2      ILE   1 -11.464   2.010   8.790
   10   3HG2  ILE   1          3HG2      ILE   1 -10.721   2.789  10.187
   11   1HD1  ILE   1          1HD1      ILE   1  -9.431   6.784   8.472
   12   2HD1  ILE   1          2HD1      ILE   1  -8.409   5.408   8.888
   13   3HD1  ILE   1          3HD1      ILE   1  -9.878   5.726   9.810
   14    H    LEU   2           H        LEU   2 -11.064   4.277   5.657
   15    HA   LEU   2           HA       LEU   2 -11.530   1.488   4.647
   16   1HB   LEU   2          2HB       LEU   2 -12.034   4.052   3.530
   17   2HB   LEU   2          1HB       LEU   2 -10.688   3.359   2.624
   18    HG   LEU   2           HG       LEU   2 -12.334   1.193   2.831
   19   1HD1  LEU   2          1HD1      LEU   2 -14.614   2.118   2.167
   20   2HD1  LEU   2          2HD1      LEU   2 -14.044   3.689   2.734
   21   3HD1  LEU   2          3HD1      LEU   2 -14.171   2.338   3.861
   22   1HD2  LEU   2          1HD2      LEU   2 -11.205   2.449   0.822
   23   2HD2  LEU   2          2HD2      LEU   2 -12.790   3.200   0.635
   24   3HD2  LEU   2          3HD2      LEU   2 -12.624   1.448   0.518
   25    H    ALA   3           H        ALA   3  -9.677   0.588   3.408
   26    HA   ALA   3           HA       ALA   3  -7.126   1.705   3.115
   27   1HB   ALA   3          1HB       ALA   3  -6.530   0.205   5.449
   28   2HB   ALA   3          2HB       ALA   3  -7.896   1.245   5.855
   29   3HB   ALA   3          3HB       ALA   3  -6.402   1.951   5.238
   30    H    TRP   4           H        TRP   4  -5.797   0.176   2.145
   31    HA   TRP   4           HA       TRP   4  -5.664  -2.599   2.608
   32   1HB   TRP   4          2HB       TRP   4  -8.136  -1.777   1.491
   33   2HB   TRP   4          1HB       TRP   4  -7.253  -2.593   0.201
   34    HD1  TRP   4           HD1      TRP   4  -9.485  -3.348   2.943
   35    HE1  TRP   4           1HE      TRP   4  -9.333  -5.825   3.642
   36    HE3  TRP   4           3HE      TRP   4  -5.159  -4.664   0.575
   37    HZ2  TRP   4           2HZ      TRP   4  -7.601  -8.068   3.248
   38    HZ3  TRP   4           3HZ      TRP   4  -4.280  -6.974   0.754
   39    HH2  TRP   4           HH2      TRP   4  -5.495  -8.676   2.086
   40    H    LYS   5           H        LYS   5  -6.173  -0.633  -0.333
   41    HA   LYS   5           HA       LYS   5  -3.973  -1.834  -1.775
   42   1HB   LYS   5          2HB       LYS   5  -5.731   0.604  -2.056
   43   2HB   LYS   5          1HB       LYS   5  -4.412   0.314  -3.191
   44   1HG   LYS   5          2HG       LYS   5  -6.052  -2.069  -2.694
   45   2HG   LYS   5          1HG       LYS   5  -6.958  -0.737  -3.414
   46   1HD   LYS   5          2HD       LYS   5  -5.750  -0.787  -5.369
   47   2HD   LYS   5          1HD       LYS   5  -4.271  -1.313  -4.563
   48   1HE   LYS   5          2HE       LYS   5  -4.741  -3.505  -4.936
   49   2HE   LYS   5          1HE       LYS   5  -6.423  -3.308  -4.401
   50   1HZ   LYS   5          1HZ       LYS   5  -6.183  -3.792  -6.820
   51   2HZ   LYS   5          2HZ       LYS   5  -5.388  -2.301  -6.996
   52   3HZ   LYS   5          3HZ       LYS   5  -7.007  -2.349  -6.484
   53    H    TRP   6           H        TRP   6  -4.007   0.281   0.831
   54    HA   TRP   6           HA       TRP   6  -1.697   1.930   0.043
   55   1HB   TRP   6          2HB       TRP   6  -3.783   2.036   1.965
   56   2HB   TRP   6          1HB       TRP   6  -2.284   1.897   2.879
   57    HD1  TRP   6           HD1      TRP   6  -4.386   4.500   1.820
   58    HE1  TRP   6           1HE      TRP   6  -3.118   6.677   1.274
   59    HE3  TRP   6           3HE      TRP   6   0.361   2.668   1.367
   60    HZ2  TRP   6           2HZ      TRP   6  -0.445   7.530   0.718
   61    HZ3  TRP   6           3HZ      TRP   6   2.247   4.184   0.829
   62    HH2  TRP   6           HH2      TRP   6   1.850   6.610   0.504
   63    H    ALA   7           H        ALA   7  -2.349  -0.681   2.398
   64    HA   ALA   7           HA       ALA   7   0.227  -0.956   3.506
   65   1HB   ALA   7          1HB       ALA   7  -2.165  -2.676   3.010
   66   2HB   ALA   7          2HB       ALA   7  -1.401  -2.237   4.538
   67   3HB   ALA   7          3HB       ALA   7  -0.683  -3.485   3.519
   68    H    TRP   8           H        TRP   8  -0.915  -1.794   0.317
   69    HA   TRP   8           HA       TRP   8   1.061  -3.781  -0.354
   70   1HB   TRP   8          2HB       TRP   8  -0.853  -3.632  -1.729
   71   2HB   TRP   8          1HB       TRP   8  -0.744  -1.878  -1.842
   72    HD1  TRP   8           HD1      TRP   8   0.156  -1.072  -4.093
   73    HE1  TRP   8           1HE      TRP   8   1.684  -2.023  -5.931
   74    HE3  TRP   8           3HE      TRP   8   1.458  -5.475  -1.931
   75    HZ2  TRP   8           2HZ      TRP   8   3.260  -4.361  -6.416
   76    HZ3  TRP   8           3HZ      TRP   8   2.972  -7.062  -3.088
   77    HH2  TRP   8           HH2      TRP   8   3.880  -6.505  -5.329
   78    H    TRP   9           H        TRP   9   0.922  -0.763  -2.126
   79    HA   TRP   9           HA       TRP   9   3.538  -0.567  -2.869
   80   1HB   TRP   9          2HB       TRP   9   1.588   0.900  -3.475
   81   2HB   TRP   9          1HB       TRP   9   1.834   1.758  -1.954
   82    HD1  TRP   9           HD1      TRP   9   3.272   1.358  -5.432
   83    HE1  TRP   9           1HE      TRP   9   5.186   3.062  -5.751
   84    HE3  TRP   9           3HE      TRP   9   3.712   3.040  -0.670
   85    HZ2  TRP   9           2HZ      TRP   9   6.710   4.906  -4.158
   86    HZ3  TRP   9           3HZ      TRP   9   5.391   4.762  -0.068
   87    HH2  TRP   9           HH2      TRP   9   6.893   5.700  -1.811
   88    H    ALA  10           H        ALA  10   2.304   0.007   0.358
   89    HA   ALA  10           HA       ALA  10   4.542   1.504   1.398
   90   1HB   ALA  10          1HB       ALA  10   2.106   0.195   2.298
   91   2HB   ALA  10          2HB       ALA  10   2.938   1.588   2.990
   92   3HB   ALA  10          3HB       ALA  10   3.421  -0.045   3.449
   93    H    TRP  11           H        TRP  11   3.910  -1.936   0.930
   94    HA   TRP  11           HA       TRP  11   6.139  -2.900   2.511
   95   1HB   TRP  11          2HB       TRP  11   5.193  -4.907   1.942
   96   2HB   TRP  11          1HB       TRP  11   3.898  -3.929   1.257
   97    HD1  TRP  11           HD1      TRP  11   3.567  -4.017  -1.306
   98    HE1  TRP  11           1HE      TRP  11   4.798  -5.166  -3.254
   99    HE3  TRP  11           3HE      TRP  11   7.719  -5.673   1.130
  100    HZ2  TRP  11           2HZ      TRP  11   7.224  -6.606  -3.720
  101    HZ3  TRP  11           3HZ      TRP  11   9.480  -6.929  -0.080
  102    HH2  TRP  11           HH2      TRP  11   9.238  -7.396  -2.503
  103    H    ARG  12           H        ARG  12   5.639  -2.323  -0.958
  104    HA   ARG  12           HA       ARG  12   8.010  -3.243  -2.061
  105   1HB   ARG  12          2HB       ARG  12   6.473  -0.694  -2.648
  106   2HB   ARG  12          1HB       ARG  12   7.647  -1.420  -3.742
  107   1HG   ARG  12          2HG       ARG  12   6.222  -3.573  -3.562
  108   2HG   ARG  12          1HG       ARG  12   4.974  -2.540  -2.866
  109   1HD   ARG  12          2HD       ARG  12   6.160  -2.425  -5.648
  110   2HD   ARG  12          1HD       ARG  12   4.453  -2.520  -5.175
  111    HE   ARG  12           HE       ARG  12   4.655  -0.195  -4.316
  112   1HH1  ARG  12          2HH1      ARG  12   5.306  -0.159  -7.281
  113   2HH1  ARG  12          1HH1      ARG  12   6.732   0.824  -7.305
  114   1HH2  ARG  12          1HH2      ARG  12   7.316   0.525  -3.901
  115   2HH2  ARG  12          2HH2      ARG  12   7.870   1.212  -5.391
  116    H    ARG  13           H        ARG  13   7.542  -0.394  -0.053
  117    HA   ARG  13           HA       ARG  13   9.952   1.016  -0.631
  118   1HB   ARG  13          2HB       ARG  13   8.214   2.055   0.628
  119   2HB   ARG  13          1HB       ARG  13   8.162   0.729   1.790
  120   1HG   ARG  13          2HG       ARG  13   9.748   1.700   3.055
  121   2HG   ARG  13          1HG       ARG  13  10.830   1.833   1.668
  122   1HD   ARG  13          2HD       ARG  13   8.523   3.756   1.922
  123   2HD   ARG  13          1HD       ARG  13  10.012   4.042   2.843
  124    HE   ARG  13           HE       ARG  13  11.026   4.655   0.789
  125   1HH1  ARG  13          1HH1      ARG  13   7.980   4.139  -0.174
  126   2HH1  ARG  13          2HH1      ARG  13   8.336   3.361  -1.680
  127   1HH2  ARG  13          1HH2      ARG  13  11.697   2.908  -0.954
  128   2HH2  ARG  13          2HH2      ARG  13  10.441   2.663  -2.121
  129   1HN   NH2  14          1HN       NH2  14   9.315  -1.599   1.767
  130   2HN   NH2  14          2HN       NH2  14  10.950  -1.919   2.093
  Start of MODEL   14
    1   1H    ILE   1          1H        ILE   1  -9.368   1.379  -0.217
    2   2H    ILE   1          2H        ILE   1  -7.959   1.247   0.724
    3   3H    ILE   1          3H        ILE   1  -8.345   2.719  -0.031
    4    HA   ILE   1           HA       ILE   1 -10.079   3.184   1.441
    5    HB   ILE   1           HB       ILE   1 -10.924   0.809   1.042
    6   1HG1  ILE   1          2HG1      ILE   1 -11.172   1.273   3.964
    7   2HG1  ILE   1          1HG1      ILE   1 -11.602   2.638   2.933
    8   1HG2  ILE   1          1HG2      ILE   1  -8.823  -0.289   1.849
    9   2HG2  ILE   1          2HG2      ILE   1 -10.269  -0.896   2.657
   10   3HG2  ILE   1          3HG2      ILE   1  -9.211   0.249   3.483
   11   1HD1  ILE   1          1HD1      ILE   1 -13.634   1.522   3.002
   12   2HD1  ILE   1          2HD1      ILE   1 -12.875  -0.065   3.129
   13   3HD1  ILE   1          3HD1      ILE   1 -12.913   0.772   1.578
   14    H    LEU   2           H        LEU   2 -10.001   3.291   3.947
   15    HA   LEU   2           HA       LEU   2  -7.138   3.398   4.770
   16   1HB   LEU   2          2HB       LEU   2  -9.602   4.913   5.220
   17   2HB   LEU   2          1HB       LEU   2  -8.728   4.591   6.719
   18    HG   LEU   2           HG       LEU   2  -6.666   5.501   5.721
   19   1HD1  LEU   2          1HD1      LEU   2  -8.120   6.646   3.404
   20   2HD1  LEU   2          2HD1      LEU   2  -7.797   4.915   3.320
   21   3HD1  LEU   2          3HD1      LEU   2  -6.463   6.054   3.511
   22   1HD2  LEU   2          1HD2      LEU   2  -7.292   7.806   5.812
   23   2HD2  LEU   2          2HD2      LEU   2  -8.425   6.966   6.870
   24   3HD2  LEU   2          3HD2      LEU   2  -8.928   7.458   5.253
   25    H    ALA   3           H        ALA   3  -6.848   2.917   7.227
   26    HA   ALA   3           HA       ALA   3  -6.998   1.352   9.023
   27   1HB   ALA   3          1HB       ALA   3  -9.612   2.005   8.133
   28   2HB   ALA   3          2HB       ALA   3  -9.151   1.345   9.701
   29   3HB   ALA   3          3HB       ALA   3  -9.591   0.260   8.383
   30    H    TRP   4           H        TRP   4  -5.899  -0.584   8.902
   31    HA   TRP   4           HA       TRP   4  -5.417  -2.821   8.287
   32   1HB   TRP   4          2HB       TRP   4  -8.127  -2.468   7.799
   33   2HB   TRP   4          1HB       TRP   4  -7.506  -3.049   6.252
   34    HD1  TRP   4           HD1      TRP   4  -8.870  -4.372   9.283
   35    HE1  TRP   4           1HE      TRP   4  -8.106  -6.796   9.723
   36    HE3  TRP   4           3HE      TRP   4  -4.947  -4.659   6.030
   37    HZ2  TRP   4           2HZ      TRP   4  -6.091  -8.614   8.814
   38    HZ3  TRP   4           3HZ      TRP   4  -3.622  -6.744   5.838
   39    HH2  TRP   4           HH2      TRP   4  -4.189  -8.720   7.225
   40    H    LYS   5           H        LYS   5  -6.619  -0.937   5.506
   41    HA   LYS   5           HA       LYS   5  -4.644  -2.064   3.680
   42   1HB   LYS   5          2HB       LYS   5  -6.994  -1.163   3.185
   43   2HB   LYS   5          1HB       LYS   5  -6.303   0.451   3.367
   44   1HG   LYS   5          2HG       LYS   5  -5.708   0.324   1.195
   45   2HG   LYS   5          1HG       LYS   5  -4.513  -0.879   1.683
   46   1HD   LYS   5          2HD       LYS   5  -6.866  -2.339   1.585
   47   2HD   LYS   5          1HD       LYS   5  -7.020  -1.240   0.214
   48   1HE   LYS   5          2HE       LYS   5  -4.369  -2.073   0.057
   49   2HE   LYS   5          1HE       LYS   5  -5.243  -3.543   0.534
   50   1HZ   LYS   5          1HZ       LYS   5  -6.826  -3.173  -1.218
   51   2HZ   LYS   5          2HZ       LYS   5  -5.266  -3.176  -1.891
   52   3HZ   LYS   5          3HZ       LYS   5  -6.088  -1.708  -1.646
   53    H    TRP   6           H        TRP   6  -4.345   0.060   6.194
   54    HA   TRP   6           HA       TRP   6  -2.463   1.936   4.878
   55   1HB   TRP   6          2HB       TRP   6  -4.180   1.962   7.152
   56   2HB   TRP   6          1HB       TRP   6  -2.533   2.103   7.759
   57    HD1  TRP   6           HD1      TRP   6  -5.205   4.245   6.710
   58    HE1  TRP   6           1HE      TRP   6  -4.349   6.520   5.856
   59    HE3  TRP   6           3HE      TRP   6  -0.263   3.137   6.033
   60    HZ2  TRP   6           2HZ      TRP   6  -1.897   7.715   4.999
   61    HZ3  TRP   6           3HZ      TRP   6   1.308   4.863   5.198
   62    HH2  TRP   6           HH2      TRP   6   0.498   7.148   4.681
   63    H    ALA   7           H        ALA   7  -2.379  -0.494   7.517
   64    HA   ALA   7           HA       ALA   7   0.341  -0.443   8.160
   65   1HB   ALA   7          1HB       ALA   7  -0.990  -3.091   7.840
   66   2HB   ALA   7          2HB       ALA   7  -1.829  -1.904   8.839
   67   3HB   ALA   7          3HB       ALA   7  -0.190  -2.404   9.254
   68    H    TRP   8           H        TRP   8  -1.184  -1.569   5.231
   69    HA   TRP   8           HA       TRP   8   0.689  -3.402   4.205
   70   1HB   TRP   8          2HB       TRP   8  -1.274  -3.078   2.973
   71   2HB   TRP   8          1HB       TRP   8  -1.160  -1.325   3.066
   72    HD1  TRP   8           HD1      TRP   8  -0.402  -0.229   0.896
   73    HE1  TRP   8           1HE      TRP   8   0.933  -0.946  -1.183
   74    HE3  TRP   8           3HE      TRP   8   0.929  -4.926   2.307
   75    HZ2  TRP   8           2HZ      TRP   8   2.383  -3.226  -2.124
   76    HZ3  TRP   8           3HZ      TRP   8   2.289  -6.362   0.810
   77    HH2  TRP   8           HH2      TRP   8   3.022  -5.513  -1.403
   78    H    TRP   9           H        TRP   9   0.604  -0.183   2.777
   79    HA   TRP   9           HA       TRP   9   3.210  -0.091   1.864
   80   1HB   TRP   9          2HB       TRP   9   1.282   1.503   1.477
   81   2HB   TRP   9          1HB       TRP   9   1.689   2.255   3.020
   82    HD1  TRP   9           HD1      TRP   9   2.822   1.995  -0.572
   83    HE1  TRP   9           1HE      TRP   9   4.820   3.586  -0.949
   84    HE3  TRP   9           3HE      TRP   9   3.779   3.321   4.235
   85    HZ2  TRP   9           2HZ      TRP   9   6.600   5.210   0.611
   86    HZ3  TRP   9           3HZ      TRP   9   5.624   4.882   4.786
   87    HH2  TRP   9           HH2      TRP   9   7.037   5.831   2.978
   88    H    ALA  10           H        ALA  10   2.140   0.238   5.167
   89    HA   ALA  10           HA       ALA  10   4.552   1.548   6.165
   90   1HB   ALA  10          1HB       ALA  10   3.355   0.324   8.301
   91   2HB   ALA  10          2HB       ALA  10   2.013   0.415   7.161
   92   3HB   ALA  10          3HB       ALA  10   2.854   1.885   7.651
   93    H    TRP  11           H        TRP  11   3.266  -1.745   6.782
   94    HA   TRP  11           HA       TRP  11   5.485  -2.943   7.929
   95   1HB   TRP  11          2HB       TRP  11   4.269  -4.847   7.520
   96   2HB   TRP  11          1HB       TRP  11   3.059  -3.726   6.904
   97    HD1  TRP  11           HD1      TRP  11   2.434  -3.945   4.418
   98    HE1  TRP  11           1HE      TRP  11   3.315  -5.305   2.422
   99    HE3  TRP  11           3HE      TRP  11   6.671  -5.852   6.475
  100    HZ2  TRP  11           2HZ      TRP  11   5.539  -6.984   1.779
  101    HZ3  TRP  11           3HZ      TRP  11   8.166  -7.328   5.161
  102    HH2  TRP  11           HH2      TRP  11   7.606  -7.894   2.812
  103    H    ARG  12           H        ARG  12   4.865  -2.476   4.477
  104    HA   ARG  12           HA       ARG  12   6.914  -3.802   3.237
  105   1HB   ARG  12          2HB       ARG  12   5.886  -0.988   2.785
  106   2HB   ARG  12          1HB       ARG  12   6.899  -1.848   1.626
  107   1HG   ARG  12          2HG       ARG  12   5.050  -3.753   1.979
  108   2HG   ARG  12          1HG       ARG  12   4.051  -2.366   2.408
  109   1HD   ARG  12          2HD       ARG  12   5.400  -2.965  -0.230
  110   2HD   ARG  12          1HD       ARG  12   3.712  -2.523   0.083
  111    HE   ARG  12           HE       ARG  12   4.421  -0.227   0.469
  112   1HH1  ARG  12          2HH1      ARG  12   6.077  -1.562  -1.933
  113   2HH1  ARG  12          1HH1      ARG  12   7.566  -0.706  -1.717
  114   1HH2  ARG  12          1HH2      ARG  12   6.715   0.519   1.414
  115   2HH2  ARG  12          2HH2      ARG  12   7.928   0.472   0.179
  116    H    ARG  13           H        ARG  13   7.199  -0.851   5.163
  117    HA   ARG  13           HA       ARG  13  10.070  -0.546   4.533
  118   1HB   ARG  13          2HB       ARG  13   8.190   1.248   4.926
  119   2HB   ARG  13          1HB       ARG  13   8.525   0.956   6.633
  120   1HG   ARG  13          2HG       ARG  13  10.713   1.758   6.483
  121   2HG   ARG  13          1HG       ARG  13  10.803   1.472   4.744
  122   1HD   ARG  13          2HD       ARG  13  10.543   3.816   4.845
  123   2HD   ARG  13          1HD       ARG  13   8.864   3.273   4.642
  124    HE   ARG  13           HE       ARG  13   8.469   3.707   6.978
  125   1HH1  ARG  13          1HH1      ARG  13  10.899   5.587   5.841
  126   2HH1  ARG  13          2HH1      ARG  13  11.729   5.803   7.346
  127   1HH2  ARG  13          1HH2      ARG  13   9.898   3.373   9.008
  128   2HH2  ARG  13          2HH2      ARG  13  11.161   4.551   9.139
  129   1HN   NH2  14          1HN       NH2  14   8.177  -0.925   7.599
  130   2HN   NH2  14          2HN       NH2  14   9.395  -1.767   8.428
  Start of MODEL   15
    1   1H    ILE   1          1H        ILE   1 -13.707   2.193   7.993
    2   2H    ILE   1          2H        ILE   1 -12.173   1.792   8.603
    3   3H    ILE   1          3H        ILE   1 -13.568   1.098   9.281
    4    HA   ILE   1           HA       ILE   1 -12.328  -0.432   7.772
    5    HB   ILE   1           HB       ILE   1 -15.161   0.472   7.178
    6   1HG1  ILE   1          2HG1      ILE   1 -15.035  -1.968   8.611
    7   2HG1  ILE   1          1HG1      ILE   1 -13.885  -0.878   9.386
    8   1HG2  ILE   1          1HG2      ILE   1 -15.242  -2.118   6.576
    9   2HG2  ILE   1          2HG2      ILE   1 -13.539  -1.848   6.208
   10   3HG2  ILE   1          3HG2      ILE   1 -14.781  -0.921   5.366
   11   1HD1  ILE   1          1HD1      ILE   1 -16.318  -0.771  10.216
   12   2HD1  ILE   1          2HD1      ILE   1 -16.685   0.006   8.676
   13   3HD1  ILE   1          3HD1      ILE   1 -15.554   0.763   9.797
   14    H    LEU   2           H        LEU   2 -10.797   1.242   6.645
   15    HA   LEU   2           HA       LEU   2 -11.425   1.209   3.766
   16   1HB   LEU   2          2HB       LEU   2 -12.419   3.295   5.055
   17   2HB   LEU   2          1HB       LEU   2 -10.754   3.874   4.979
   18    HG   LEU   2           HG       LEU   2 -11.558   2.788   2.420
   19   1HD1  LEU   2          1HD1      LEU   2 -13.459   3.978   1.893
   20   2HD1  LEU   2          2HD1      LEU   2 -13.101   5.264   3.045
   21   3HD1  LEU   2          3HD1      LEU   2 -13.766   3.733   3.613
   22   1HD2  LEU   2          1HD2      LEU   2 -10.047   4.935   3.549
   23   2HD2  LEU   2          2HD2      LEU   2 -11.199   5.628   2.408
   24   3HD2  LEU   2          3HD2      LEU   2 -10.067   4.386   1.873
   25    H    ALA   3           H        ALA   3  -9.479   0.071   3.392
   26    HA   ALA   3           HA       ALA   3  -7.064   1.453   3.035
   27   1HB   ALA   3          1HB       ALA   3  -7.690   0.750   5.794
   28   2HB   ALA   3          2HB       ALA   3  -6.407   1.789   5.173
   29   3HB   ALA   3          3HB       ALA   3  -6.158   0.046   5.277
   30    H    TRP   4           H        TRP   4  -5.650   0.091   1.959
   31    HA   TRP   4           HA       TRP   4  -5.177  -2.653   2.366
   32   1HB   TRP   4          2HB       TRP   4  -7.790  -2.119   1.408
   33   2HB   TRP   4          1HB       TRP   4  -6.896  -2.800   0.050
   34    HD1  TRP   4           HD1      TRP   4  -8.847  -3.866   2.911
   35    HE1  TRP   4           1HE      TRP   4  -8.355  -6.319   3.533
   36    HE3  TRP   4           3HE      TRP   4  -4.567  -4.614   0.230
   37    HZ2  TRP   4           2HZ      TRP   4  -6.403  -8.334   2.966
   38    HZ3  TRP   4           3HZ      TRP   4  -3.413  -6.805   0.287
   39    HH2  TRP   4           HH2      TRP   4  -4.324  -8.665   1.651
   40    H    LYS   5           H        LYS   5  -6.074  -0.714  -0.501
   41    HA   LYS   5           HA       LYS   5  -3.854  -1.640  -2.101
   42   1HB   LYS   5          2HB       LYS   5  -6.056  -0.686  -2.883
   43   2HB   LYS   5          1HB       LYS   5  -5.504   0.897  -2.335
   44   1HG   LYS   5          2HG       LYS   5  -4.620   1.122  -4.409
   45   2HG   LYS   5          1HG       LYS   5  -3.370   0.008  -3.850
   46   1HD   LYS   5          2HD       LYS   5  -5.923  -1.181  -4.838
   47   2HD   LYS   5          1HD       LYS   5  -4.827  -0.497  -6.039
   48   1HE   LYS   5          2HE       LYS   5  -3.239  -2.009  -4.206
   49   2HE   LYS   5          1HE       LYS   5  -4.605  -3.023  -4.709
   50   1HZ   LYS   5          1HZ       LYS   5  -2.617  -2.975  -6.260
   51   2HZ   LYS   5          2HZ       LYS   5  -3.066  -1.380  -6.633
   52   3HZ   LYS   5          3HZ       LYS   5  -4.129  -2.663  -6.964
   53    H    TRP   6           H        TRP   6  -3.939   0.398   0.569
   54    HA   TRP   6           HA       TRP   6  -1.858   2.291  -0.306
   55   1HB   TRP   6          2HB       TRP   6  -3.819   2.141   1.740
   56   2HB   TRP   6          1HB       TRP   6  -2.260   2.130   2.557
   57    HD1  TRP   6           HD1      TRP   6  -4.664   4.537   1.722
   58    HE1  TRP   6           1HE      TRP   6  -3.653   6.841   1.158
   59    HE3  TRP   6           3HE      TRP   6   0.193   3.192   0.889
   60    HZ2  TRP   6           2HZ      TRP   6  -1.120   7.965   0.449
   61    HZ3  TRP   6           3HZ      TRP   6   1.882   4.898   0.272
   62    HH2  TRP   6           HH2      TRP   6   1.231   7.281   0.050
   63    H    ALA   7           H        ALA   7  -2.096  -0.413   2.028
   64    HA   ALA   7           HA       ALA   7   0.567  -0.456   2.944
   65   1HB   ALA   7          1HB       ALA   7  -0.082  -2.490   3.843
   66   2HB   ALA   7          2HB       ALA   7  -0.853  -3.017   2.348
   67   3HB   ALA   7          3HB       ALA   7  -1.670  -1.864   3.402
   68    H    TRP   8           H        TRP   8  -0.800  -1.634  -0.086
   69    HA   TRP   8           HA       TRP   8   1.228  -3.329  -1.033
   70   1HB   TRP   8          2HB       TRP   8  -0.682  -3.130  -2.367
   71   2HB   TRP   8          1HB       TRP   8  -0.705  -1.376  -2.243
   72    HD1  TRP   8           HD1      TRP   8   0.076  -0.175  -4.346
   73    HE1  TRP   8           1HE      TRP   8   1.539  -0.748  -6.382
   74    HE3  TRP   8           3HE      TRP   8   1.651  -4.815  -2.997
   75    HZ2  TRP   8           2HZ      TRP   8   3.170  -2.901  -7.316
   76    HZ3  TRP   8           3HZ      TRP   8   3.159  -6.119  -4.473
   77    HH2  TRP   8           HH2      TRP   8   3.925  -5.164  -6.629
   78    H    TRP   9           H        TRP   9   1.007  -0.107  -2.440
   79    HA   TRP   9           HA       TRP   9   3.629   0.162  -3.260
   80   1HB   TRP   9          2HB       TRP   9   1.621   1.634  -3.690
   81   2HB   TRP   9          1HB       TRP   9   1.918   2.382  -2.120
   82    HD1  TRP   9           HD1      TRP   9   3.204   2.266  -5.670
   83    HE1  TRP   9           1HE      TRP   9   5.098   4.002  -5.941
   84    HE3  TRP   9           3HE      TRP   9   3.872   3.568  -0.810
   85    HZ2  TRP   9           2HZ      TRP   9   6.690   5.722  -4.284
   86    HZ3  TRP   9           3HZ      TRP   9   5.574   5.249  -0.158
   87    HH2  TRP   9           HH2      TRP   9   6.986   6.329  -1.893
   88    H    ALA  10           H        ALA  10   2.448   0.358   0.017
   89    HA   ALA  10           HA       ALA  10   4.726   1.819   1.108
   90   1HB   ALA  10          1HB       ALA  10   3.084  -0.034   2.764
   91   2HB   ALA  10          2HB       ALA  10   2.219   1.257   1.929
   92   3HB   ALA  10          3HB       ALA  10   3.515   1.651   3.060
   93    H    TRP  11           H        TRP  11   3.700  -1.588   1.593
   94    HA   TRP  11           HA       TRP  11   6.011  -2.604   2.763
   95   1HB   TRP  11          2HB       TRP  11   4.962  -4.605   2.344
   96   2HB   TRP  11          1HB       TRP  11   3.651  -3.575   1.774
   97    HD1  TRP  11           HD1      TRP  11   2.994  -3.786  -0.701
   98    HE1  TRP  11           1HE      TRP  11   3.925  -5.050  -2.736
   99    HE3  TRP  11           3HE      TRP  11   7.399  -5.423   1.234
  100    HZ2  TRP  11           2HZ      TRP  11   6.246  -6.556  -3.457
  101    HZ3  TRP  11           3HZ      TRP  11   8.964  -6.768  -0.138
  102    HH2  TRP  11           HH2      TRP  11   8.393  -7.334  -2.485
  103    H    ARG  12           H        ARG  12   5.351  -2.183  -0.695
  104    HA   ARG  12           HA       ARG  12   7.438  -3.339  -1.990
  105   1HB   ARG  12          2HB       ARG  12   6.344  -0.532  -2.299
  106   2HB   ARG  12          1HB       ARG  12   7.354  -1.319  -3.511
  107   1HG   ARG  12          2HG       ARG  12   5.688  -3.195  -3.605
  108   2HG   ARG  12          1HG       ARG  12   4.651  -2.276  -2.516
  109   1HD   ARG  12          2HD       ARG  12   3.782  -1.520  -4.522
  110   2HD   ARG  12          1HD       ARG  12   5.128  -0.372  -4.388
  111    HE   ARG  12           HE       ARG  12   5.264  -2.925  -5.948
  112   1HH1  ARG  12          1HH2      ARG  12   5.018  -0.400  -7.474
  113   2HH1  ARG  12          2HH2      ARG  12   6.669   0.013  -7.799
  114   1HH2  ARG  12          2HH1      ARG  12   7.954  -2.111  -5.377
  115   2HH2  ARG  12          1HH1      ARG  12   8.331  -0.956  -6.612
  116    H    ARG  13           H        ARG  13   7.655  -0.238  -0.233
  117    HA   ARG  13           HA       ARG  13  10.396   0.330  -0.809
  118   1HB   ARG  13          2HB       ARG  13   8.588   1.827   0.151
  119   2HB   ARG  13          1HB       ARG  13   8.811   0.996   1.691
  120   1HG   ARG  13          2HG       ARG  13  10.809   2.018   2.103
  121   2HG   ARG  13          1HG       ARG  13  11.298   1.966   0.409
  122   1HD   ARG  13          2HD       ARG  13   9.104   3.830   1.363
  123   2HD   ARG  13          1HD       ARG  13  10.813   4.311   1.366
  124    HE   ARG  13           HE       ARG  13   9.214   3.651  -1.058
  125   1HH1  ARG  13          1HH2      ARG  13  11.303   5.884   0.120
  126   2HH1  ARG  13          2HH2      ARG  13  12.438   5.829  -1.188
  127   1HH2  ARG  13          1HH1      ARG  13  11.056   2.989  -2.617
  128   2HH2  ARG  13          2HH1      ARG  13  12.298   4.190  -2.737
  129   1HN   NH2  14          1HN       NH2  14   8.912  -1.457   1.951
  130   2HN   NH2  14          2HN       NH2  14  10.364  -2.152   2.490