*HEADER    ANTIBIOTIC                              01-MAY-04   1T52              
*TITLE     ANTIBIOTIC ACTIVITY AND STRUCTURAL ANALYSIS OF A SCORPION-            
*TITLE    2 DERIVED ANTIMICROBIAL PEPTIDE ISCT AND ITS ANALOGS                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOTOXIC LINEAR PEPTIDE ISCT;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ISCT;                                                       
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: OPISTHACANTHUS MADAGASCARIENSIS;                
*SOURCE   3 ORGANISM_COMMON: SCORPION;                                           
*SOURCE   4 TISSUE: VENOM;                                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    COIL-HELIX                                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.LEE, S.Y.SHIN, K.KIM, S.S.LIM, K.S.HAHM, Y.KIM                      
*REVDAT   1   19-OCT-04 1T52    0                                                

set message=off echo=off end
! S:1.8-2.7(2.5) ; M:1.8-3.5(3.0) ; W:1.8-5.0(4.0)
! add pseudoatom correction(m=1.0,r=1.5,+=0.5,q=2.4)

!H-bond
assign (resid    5 and  name N    )(resid    1 and  name O    ) 3.3 0.8 0.2 
assign (resid    7 and  name N    )(resid    3 and  name O    ) 3.3 0.8 0.2
assign (resid    8 and  name N    )(resid    4 and  name O    ) 3.3 0.8 0.2
assign (resid   10 and  name N    )(resid    6 and  name O    ) 3.3 0.8 0.2 
assign (resid   11 and  name N    )(resid    7 and  name O    ) 3.3 0.8 0.2
assign (resid   12 and  name N    )(resid    8 and  name O    ) 3.3 0.8 0.2
assign (resid   13 and  name N    )(resid    9 and  name O    ) 3.3 0.8 0.2

! NH-NH NOEs
! i-i+1
assign (resid    2 and  name HN   )(resid    3 and  name HN   ) 2.5 0.7 0.2 !S
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 3.0 1.2 1.0 !M+ 
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 2.5 0.7 0.2 !S
assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 2.5 0.7 0.2 !S
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 2.5 0.7 0.2 !S
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 2.5 0.7 0.7 !S+
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 3.0 1.2 1.0 !M+
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 2.5 0.7 0.2 !S
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 2.5 0.7 0.2 !S
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 2.5 0.7 0.2 !S

! i-i+2
assign (resid    9 and  name HN   )(resid   11 and  name HN   ) 4.0 2.2 2.0 !W

! CaH-NH NOEs
! i-i+1
!assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    4 and  name HN   )(resid    3 and  name HA#  ) 3.0 1.2 0.5 !M
assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid    8 and  name HA1  ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid    8 and  name HA2  ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   12 and  name HN   )(resid   11 and  name HA   ) 3.0 1.2 0.5 !M

! i-i+3
assign (resid    5 and  name HN   )(resid    2 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid    6 and  name HN   )(resid    3 and  name HA#  ) 3.0 1.2 1.5 !M+
assign (resid    7 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid    8 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid    9 and  name HN   )(resid    6 and  name HA   ) 3.0 1.2 1.5 !M+
assign (resid   11 and  name HN   )(resid    8 and  name HA1  ) 4.0 2.2 2.0 !W
assign (resid   11 and  name HN   )(resid    8 and  name HA2  ) 4.0 2.2 2.0 !W
assign (resid   12 and  name HN   )(resid    9 and  name HA   ) 3.0 1.2 1.0 !M+
assign (resid   13 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 0.5 !M

! i-i+4
assign (resid    7 and  name HN   )(resid    3 and  name HA#  ) 4.0 2.2 2.0 !W
assign (resid    8 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid   10 and  name HN   )(resid    6 and  name HA   ) 4.0 2.2 2.0 !W
 
! NH-Cb/Cg/CdH(sequential)
assign (resid    5 and  name HN   )(resid    4 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HN   )(resid    5 and  name HB   ) 2.5 0.7 0.2 !S
assign (resid    7 and  name HN   )(resid    6 and  name HB#  ) 3.0 1.2 1.0 !M+
assign (resid   10 and  name HN   )(resid    9 and  name HB   ) 3.0 1.2 1.0 !M+
assign (resid   11 and  name HN   )(resid   10 and  name HB#  ) 4.0 2.2 2.0 !W
assign (resid   12 and  name HN   )(resid   11 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HN   )(resid   12 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid    6 and  name HN   )(resid    5 and  name HG1# ) 4.0 2.2 2.0 !W
assign (resid    6 and  name HN   )(resid    5 and  name HG2# ) 4.0 2.2 2.0 !W
assign (resid   10 and  name HN   )(resid    9 and  name HG2# ) 4.0 2.2 2.0 !W
assign (resid   10 and  name HN   )(resid   11 and  name HB   ) 4.0 2.2 2.0 !W

! NH-Cb/Cg/CdH(i-i+2)
assign (resid    6 and  name HN   )(resid    4 and  name HB1  ) 4.0 2.2 2.0 !W

! NH-Cb/Cg/CdH(i-i+3)
assign (resid    3 and  name HN   )(resid    6 and  name HB#  ) 4.0 2.2 2.0 !W
assign (resid    7 and  name HN   )(resid    4 and  name HB#  ) 4.0 2.2 2.0 !W
assign (resid    8 and  name HN   )(resid    5 and  name HB   ) 4.0 2.2 2.0 !W
assign (resid   12 and  name HN   )(resid    9 and  name HG2# ) 4.0 2.2 2.0 !W

! Other inter-residual NOEs (sequential)
assign (resid    6 and  name HE1  )(resid    3 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid    6 and  name HE1  )(resid    2 and  name HA   ) 4.0 2.2 2.0 !W
assign (resid   13 and  name HD2  )(resid   10 and  name HA   ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HE2  )(resid   10 and  name HA   ) 4.0 2.2 2.0 !W

! Intra-residual NOEs
assign (resid    2 and  name HN   )(resid    2 and  name HB2  ) 2.5 0.7 0.2 !S
assign (resid    2 and  name HN   )(resid    2 and  name HG   ) 2.5 0.7 0.2 !S
assign (resid    4 and  name HN   )(resid    4 and  name HB#  ) 2.5 0.7 0.2 !S
assign (resid    4 and  name HN   )(resid    4 and  name HG#  ) 2.5 0.7 0.2 !S
assign (resid    5 and  name HN   )(resid    5 and  name HB   ) 2.5 0.7 0.2 !S
assign (resid    5 and  name HN   )(resid    5 and  name HG#  ) 3.0 1.2 0.5 !M
assign (resid    5 and  name HN   )(resid    5 and  name HD1# ) 4.0 2.2 2.0 !W
assign (resid    6 and  name HN   )(resid    6 and  name HB#  ) 2.5 0.7 0.2 !S
assign (resid    6 and  name HN   )(resid    6 and  name HE3  ) 3.0 1.2 1.0 !M+
assign (resid    6 and  name HN   )(resid    6 and  name HE1  ) 3.0 1.2 1.0 !M+
assign (resid    7 and  name HN   )(resid    7 and  name HB#  ) 2.5 0.7 0.5 !S+
assign (resid    7 and  name HN   )(resid    7 and  name HG#  ) 4.0 2.2 2.0 !W
assign (resid    9 and  name HN   )(resid    9 and  name HB   ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid    9 and  name HG1# ) 3.0 1.2 0.5 !M
assign (resid    9 and  name HN   )(resid    9 and  name HD1# ) 4.0 2.2 2.0 !W
assign (resid   10 and  name HN   )(resid   10 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid   10 and  name HG#  ) 3.0 1.2 0.5 !M
assign (resid   10 and  name HN   )(resid   10 and  name HD#  ) 4.0 2.2 2.0 !W
assign (resid   11 and  name HN   )(resid   11 and  name HB#  ) 2.5 0.7 0.2 !S
assign (resid   12 and  name HN   )(resid   12 and  name HB#  ) 2.5 0.7 0.2 !S
assign (resid   12 and  name HN   )(resid   12 and  name HG   ) 4.0 2.2 2.0 !W
assign (resid   12 and  name HN   )(resid   12 and  name HD1# ) 4.0 2.2 2.0 !W
assign (resid   12 and  name HN   )(resid   12 and  name HD2# ) 4.0 2.2 2.0 !W
assign (resid   13 and  name HN   )(resid   13 and  name HB#  ) 3.0 1.2 0.5 !M
assign (resid   13 and  name HB#  )(resid   13 and  name HE#  ) 4.0 2.2 2.0 !W
assign (resid   13 and  name HB#  )(resid   13 and  name HD#  ) 4.0 2.2 2.0 !W
assign (resid   13 and  name HA   )(resid   13 and  name HD#  ) 4.0 2.2 2.0 !W


set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ILE   1          1H        ILE   1   7.921  -2.534   0.513
    2   2H    ILE   1          2H        ILE   1   9.481  -1.897   0.724
    3   3H    ILE   1          3H        ILE   1   8.454  -1.260  -0.470
    4    HA   ILE   1           HA       ILE   1   7.323  -1.178   2.189
    5    HB   ILE   1           HB       ILE   1   9.941   0.134   1.435
    6   1HG1  ILE   1          2HG1      ILE   1   8.932  -1.521   3.764
    7   2HG1  ILE   1          1HG1      ILE   1  10.205  -1.940   2.618
    8   1HG2  ILE   1          1HG2      ILE   1   9.678   1.629   3.340
    9   2HG2  ILE   1          2HG2      ILE   1   8.111   0.917   3.724
   10   3HG2  ILE   1          3HG2      ILE   1   8.314   1.857   2.245
   11   1HD1  ILE   1          1HD1      ILE   1  11.603  -1.141   4.225
   12   2HD1  ILE   1          2HD1      ILE   1  10.323  -0.219   5.014
   13   3HD1  ILE   1          3HD1      ILE   1  11.138   0.438   3.594
   14    H    LEU   2           H        LEU   2   8.582   0.595  -0.652
   15    HA   LEU   2           HA       LEU   2   6.820   2.848  -0.437
   16   1HB   LEU   2          2HB       LEU   2   8.121   1.568  -2.864
   17   2HB   LEU   2          1HB       LEU   2   7.559   3.236  -2.750
   18    HG   LEU   2           HG       LEU   2   9.263   2.743  -0.516
   19   1HD1  LEU   2          1HD1      LEU   2  11.104   1.668  -1.314
   20   2HD1  LEU   2          2HD1      LEU   2  10.951   2.392  -2.915
   21   3HD1  LEU   2          3HD1      LEU   2   9.979   0.985  -2.487
   22   1HD2  LEU   2          1HD2      LEU   2  10.401   4.655  -1.344
   23   2HD2  LEU   2          2HD2      LEU   2   8.737   4.866  -1.889
   24   3HD2  LEU   2          3HD2      LEU   2   9.967   4.292  -3.014
   25    H    GLY   3           H        GLY   3   6.574  -0.196  -2.295
   26   1HA   GLY   3          2HA       GLY   3   3.914   0.515  -3.298
   27   2HA   GLY   3          1HA       GLY   3   4.751  -1.014  -3.572
   28    H    LYS   4           H        LYS   4   5.288  -1.402  -0.688
   29    HA   LYS   4           HA       LYS   4   3.036  -2.968   0.035
   30   1HB   LYS   4          2HB       LYS   4   5.330  -1.696   1.537
   31   2HB   LYS   4          1HB       LYS   4   4.160  -2.736   2.351
   32   1HG   LYS   4          2HG       LYS   4   4.749  -4.259   0.171
   33   2HG   LYS   4          1HG       LYS   4   6.291  -3.443   0.423
   34   1HD   LYS   4          2HD       LYS   4   6.744  -4.768   2.183
   35   2HD   LYS   4          1HD       LYS   4   5.239  -4.283   2.967
   36   1HE   LYS   4          2HE       LYS   4   4.013  -6.057   1.972
   37   2HE   LYS   4          1HE       LYS   4   5.276  -6.358   0.761
   38   1HZ   LYS   4          1HZ       LYS   4   5.237  -7.040   3.611
   39   2HZ   LYS   4          2HZ       LYS   4   6.730  -6.619   2.917
   40   3HZ   LYS   4          3HZ       LYS   4   5.840  -7.929   2.299
   41    H    ILE   5           H        ILE   5   3.796   0.421   0.649
   42    HA   ILE   5           HA       ILE   5   1.621   0.831   2.551
   43    HB   ILE   5           HB       ILE   5   3.439   2.640   0.937
   44   1HG1  ILE   5          2HG1      ILE   5   4.476   1.226   2.717
   45   2HG1  ILE   5          1HG1      ILE   5   4.575   2.949   3.083
   46   1HG2  ILE   5          1HG2      ILE   5   2.631   4.491   2.267
   47   2HG2  ILE   5          2HG2      ILE   5   1.613   3.419   3.228
   48   3HG2  ILE   5          3HG2      ILE   5   1.232   3.710   1.530
   49   1HD1  ILE   5          1HD1      ILE   5   2.134   2.219   4.173
   50   2HD1  ILE   5          2HD1      ILE   5   3.636   2.426   5.074
   51   3HD1  ILE   5          3HD1      ILE   5   3.157   0.823   4.514
   52    H    TRP   6           H        TRP   6   2.196   2.006  -0.777
   53    HA   TRP   6           HA       TRP   6  -0.407   3.063  -1.223
   54   1HB   TRP   6          2HB       TRP   6   1.493   1.804  -3.216
   55   2HB   TRP   6          1HB       TRP   6   0.350   3.115  -3.521
   56    HD1  TRP   6           HD1      TRP   6   1.046   4.639  -0.726
   57    HE1  TRP   6           HE1      TRP   6   3.236   5.981  -0.604
   58    HE3  TRP   6           HE3      TRP   6   3.613   2.482  -4.562
   59    HZ2  TRP   6           HZ2      TRP   6   5.752   6.138  -1.966
   60    HZ3  TRP   6           HZ3      TRP   6   5.903   3.243  -5.137
   61    HH2  TRP   6           HH2      TRP   6   6.975   5.067  -3.842
   62    H    LYS   7           H        LYS   7   0.865  -0.215  -1.532
   63    HA   LYS   7           HA       LYS   7  -1.595  -1.196  -2.846
   64   1HB   LYS   7          2HB       LYS   7   0.586  -2.046  -3.524
   65   2HB   LYS   7          1HB       LYS   7   0.962  -2.501  -1.861
   66   1HG   LYS   7          2HG       LYS   7  -0.585  -4.267  -1.859
   67   2HG   LYS   7          1HG       LYS   7  -1.487  -3.603  -3.221
   68   1HD   LYS   7          2HD       LYS   7  -0.024  -5.609  -3.768
   69   2HD   LYS   7          1HD       LYS   7   0.251  -4.181  -4.768
   70   1HE   LYS   7          2HE       LYS   7   1.901  -4.045  -2.390
   71   2HE   LYS   7          1HE       LYS   7   2.190  -5.566  -3.258
   72   1HZ   LYS   7          1HZ       LYS   7   2.885  -4.496  -5.110
   73   2HZ   LYS   7          2HZ       LYS   7   3.296  -3.276  -4.001
   74   3HZ   LYS   7          3HZ       LYS   7   1.847  -3.173  -4.884
   75    H    GLY   8           H        GLY   8  -0.112  -1.135   0.344
   76   1HA   GLY   8          2HA       GLY   8  -1.930  -3.126   1.469
   77   2HA   GLY   8          1HA       GLY   8  -0.810  -2.115   2.383
   78    H    ILE   9           H        ILE   9  -1.884   0.355   1.079
   79    HA   ILE   9           HA       ILE   9  -4.104   0.792   2.959
   80    HB   ILE   9           HB       ILE   9  -2.503   2.470   1.020
   81   1HG1  ILE   9          2HG1      ILE   9  -2.806   2.547   4.041
   82   2HG1  ILE   9          1HG1      ILE   9  -1.476   1.765   3.186
   83   1HG2  ILE   9          1HG2      ILE   9  -4.865   3.275   2.741
   84   2HG2  ILE   9          2HG2      ILE   9  -4.733   3.411   0.989
   85   3HG2  ILE   9          3HG2      ILE   9  -3.735   4.426   2.030
   86   1HD1  ILE   9          1HD1      ILE   9  -1.372   4.188   2.010
   87   2HD1  ILE   9          2HD1      ILE   9  -0.489   3.814   3.490
   88   3HD1  ILE   9          3HD1      ILE   9  -2.033   4.661   3.576
   89    H    LYS  10           H        LYS  10  -3.614   0.762  -0.564
   90    HA   LYS  10           HA       LYS  10  -6.336   1.483  -1.230
   91   1HB   LYS  10          2HB       LYS  10  -5.611   0.940  -3.475
   92   2HB   LYS  10          1HB       LYS  10  -4.243   1.688  -2.647
   93   1HG   LYS  10          2HG       LYS  10  -3.076  -0.139  -3.309
   94   2HG   LYS  10          1HG       LYS  10  -3.928  -0.977  -2.011
   95   1HD   LYS  10          2HD       LYS  10  -4.292  -2.296  -3.967
   96   2HD   LYS  10          1HD       LYS  10  -5.794  -1.407  -3.710
   97   1HE   LYS  10          2HE       LYS  10  -4.303   0.343  -5.271
   98   2HE   LYS  10          1HE       LYS  10  -3.921  -1.248  -5.957
   99   1HZ   LYS  10          1HZ       LYS  10  -6.570   0.003  -5.571
  100   2HZ   LYS  10          2HZ       LYS  10  -6.414  -1.685  -5.693
  101   3HZ   LYS  10          3HZ       LYS  10  -5.922  -0.688  -6.977
  102    H    SER  11           H        SER  11  -4.753  -1.506  -0.364
  103    HA   SER  11           HA       SER  11  -6.852  -3.239  -1.468
  104   1HB   SER  11          2HB       SER  11  -4.320  -3.494   0.114
  105   2HB   SER  11          1HB       SER  11  -5.447  -4.847   0.120
  106    HG   SER  11           HG       SER  11  -3.693  -4.305  -1.707
  107    H    LEU  12           H        LEU  12  -6.167  -1.601   1.548
  108    HA   LEU  12           HA       LEU  12  -8.051  -3.220   3.125
  109   1HB   LEU  12          2HB       LEU  12  -5.844  -1.598   3.596
  110   2HB   LEU  12          1HB       LEU  12  -7.193  -0.621   4.179
  111    HG   LEU  12           HG       LEU  12  -6.790  -3.523   4.945
  112   1HD1  LEU  12          1HD1      LEU  12  -5.508  -2.903   6.741
  113   2HD1  LEU  12          2HD1      LEU  12  -6.311  -1.341   6.906
  114   3HD1  LEU  12          3HD1      LEU  12  -5.068  -1.569   5.676
  115   1HD2  LEU  12          1HD2      LEU  12  -8.925  -1.642   5.249
  116   2HD2  LEU  12          2HD2      LEU  12  -8.230  -1.939   6.843
  117   3HD2  LEU  12          3HD2      LEU  12  -8.828  -3.288   5.876
  118    H    PHE  13           H        PHE  13  -8.135  -0.343   1.165
  119    HA   PHE  13           HA       PHE  13 -10.154   1.246   2.176
  120   1HB   PHE  13          2HB       PHE  13  -8.888   0.781  -0.272
  121   2HB   PHE  13          1HB       PHE  13 -10.603   0.587  -0.633
  122    HD1  PHE  13           HD1      PHE  13 -12.195   2.420   0.406
  123    HD2  PHE  13           HD2      PHE  13  -7.978   2.934  -0.228
  124    HE1  PHE  13           HE1      PHE  13 -12.487   4.882   0.460
  125    HE2  PHE  13           HE2      PHE  13  -8.270   5.396  -0.174
  126    HZ   PHE  13           HZ       PHE  13 -10.525   6.370   0.170
  127   1HN   NH2  14          1HN       NH2  14 -10.556  -2.026   0.819
  128   2HN   NH2  14          2HN       NH2  14 -12.218  -2.150   1.141
  Start of MODEL    2
    1   1H    ILE   1          1H        ILE   1   7.699  -2.082  -1.880
    2   2H    ILE   1          2H        ILE   1   8.659  -3.279  -1.151
    3   3H    ILE   1          3H        ILE   1   9.384  -2.048  -2.071
    4    HA   ILE   1           HA       ILE   1   8.423  -1.985   0.680
    5    HB   ILE   1           HB       ILE   1  10.496  -0.448  -0.916
    6   1HG1  ILE   1          2HG1      ILE   1  11.636  -2.470   0.744
    7   2HG1  ILE   1          1HG1      ILE   1  10.375  -3.229  -0.228
    8   1HG2  ILE   1          1HG2      ILE   1   9.561  -0.202   1.745
    9   2HG2  ILE   1          2HG2      ILE   1  10.977   0.572   1.033
   10   3HG2  ILE   1          3HG2      ILE   1  11.138  -0.986   1.844
   11   1HD1  ILE   1          1HD1      ILE   1  12.160  -1.322  -1.647
   12   2HD1  ILE   1          2HD1      ILE   1  11.476  -2.850  -2.201
   13   3HD1  ILE   1          3HD1      ILE   1  12.887  -2.848  -1.144
   14    H    LEU   2           H        LEU   2   9.091   0.551  -1.762
   15    HA   LEU   2           HA       LEU   2   7.508   2.562  -0.509
   16   1HB   LEU   2          2HB       LEU   2   8.138   2.215  -3.457
   17   2HB   LEU   2          1HB       LEU   2   7.851   3.733  -2.608
   18    HG   LEU   2           HG       LEU   2   9.891   2.489  -1.150
   19   1HD1  LEU   2          1HD1      LEU   2  11.459   2.443  -3.397
   20   2HD1  LEU   2          2HD1      LEU   2   9.961   1.736  -4.004
   21   3HD1  LEU   2          3HD1      LEU   2  10.787   1.007  -2.626
   22   1HD2  LEU   2          1HD2      LEU   2  10.699   4.407  -3.258
   23   2HD2  LEU   2          2HD2      LEU   2  10.911   4.502  -1.509
   24   3HD2  LEU   2          3HD2      LEU   2   9.364   4.937  -2.234
   25    H    GLY   3           H        GLY   3   6.700   0.126  -2.965
   26   1HA   GLY   3          2HA       GLY   3   3.961   1.161  -3.244
   27   2HA   GLY   3          1HA       GLY   3   4.624  -0.250  -4.070
   28    H    LYS   4           H        LYS   4   5.660  -1.107  -1.282
   29    HA   LYS   4           HA       LYS   4   3.609  -2.985  -0.670
   30   1HB   LYS   4          2HB       LYS   4   5.952  -1.828   0.859
   31   2HB   LYS   4          1HB       LYS   4   4.975  -3.154   1.491
   32   1HG   LYS   4          2HG       LYS   4   5.994  -3.417  -1.300
   33   2HG   LYS   4          1HG       LYS   4   7.160  -3.601   0.010
   34   1HD   LYS   4          2HD       LYS   4   4.571  -5.032   0.325
   35   2HD   LYS   4          1HD       LYS   4   5.675  -5.657  -0.902
   36   1HE   LYS   4          2HE       LYS   4   6.991  -4.981   1.656
   37   2HE   LYS   4          1HE       LYS   4   5.824  -6.315   1.759
   38   1HZ   LYS   4          1HZ       LYS   4   6.924  -7.008  -0.476
   39   2HZ   LYS   4          2HZ       LYS   4   7.679  -7.408   0.993
   40   3HZ   LYS   4          3HZ       LYS   4   8.231  -6.084   0.083
   41    H    ILE   5           H        ILE   5   4.264   0.260   0.572
   42    HA   ILE   5           HA       ILE   5   2.248   0.107   2.681
   43    HB   ILE   5           HB       ILE   5   3.568   2.533   1.438
   44   1HG1  ILE   5          2HG1      ILE   5   5.354   1.001   1.938
   45   2HG1  ILE   5          1HG1      ILE   5   5.297   2.160   3.266
   46   1HG2  ILE   5          1HG2      ILE   5   3.077   3.623   3.455
   47   2HG2  ILE   5          2HG2      ILE   5   2.890   2.108   4.339
   48   3HG2  ILE   5          3HG2      ILE   5   1.642   2.627   3.207
   49   1HD1  ILE   5          1HD1      ILE   5   3.651   0.396   4.334
   50   2HD1  ILE   5          2HD1      ILE   5   5.394   0.154   4.441
   51   3HD1  ILE   5          3HD1      ILE   5   4.455  -0.719   3.229
   52    H    TRP   6           H        TRP   6   2.506   1.970  -0.360
   53    HA   TRP   6           HA       TRP   6  -0.118   3.044  -0.367
   54   1HB   TRP   6          2HB       TRP   6   1.565   2.168  -2.725
   55   2HB   TRP   6          1HB       TRP   6   0.406   3.499  -2.687
   56    HD1  TRP   6           HD1      TRP   6   1.373   4.546   0.236
   57    HE1  TRP   6           HE1      TRP   6   3.576   5.866   0.377
   58    HE3  TRP   6           HE3      TRP   6   3.563   3.068  -4.123
   59    HZ2  TRP   6           HZ2      TRP   6   5.958   6.261  -1.164
   60    HZ3  TRP   6           HZ3      TRP   6   5.798   3.929  -4.769
   61    HH2  TRP   6           HH2      TRP   6   6.998   5.523  -3.294
   62    H    LYS   7           H        LYS   7   1.098  -0.111  -1.376
   63    HA   LYS   7           HA       LYS   7  -1.249  -0.967  -2.817
   64   1HB   LYS   7          2HB       LYS   7   0.863  -2.056  -3.151
   65   2HB   LYS   7          1HB       LYS   7   1.050  -2.360  -1.423
   66   1HG   LYS   7          2HG       LYS   7  -1.448  -3.475  -2.347
   67   2HG   LYS   7          1HG       LYS   7  -0.120  -4.075  -3.341
   68   1HD   LYS   7          2HD       LYS   7   0.054  -4.034  -0.326
   69   2HD   LYS   7          1HD       LYS   7  -0.655  -5.396  -1.195
   70   1HE   LYS   7          2HE       LYS   7   1.390  -5.914  -2.288
   71   2HE   LYS   7          1HE       LYS   7   2.093  -4.334  -1.892
   72   1HZ   LYS   7          1HZ       LYS   7   2.927  -5.922  -0.329
   73   2HZ   LYS   7          2HZ       LYS   7   1.364  -6.494   0.013
   74   3HZ   LYS   7          3HZ       LYS   7   1.821  -4.927   0.486
   75    H    GLY   8           H        GLY   8  -0.328  -0.988   0.582
   76   1HA   GLY   8          2HA       GLY   8  -2.504  -2.762   1.388
   77   2HA   GLY   8          1HA       GLY   8  -1.456  -1.850   2.475
   78    H    ILE   9           H        ILE   9  -2.179   0.580   0.667
   79    HA   ILE   9           HA       ILE   9  -4.307   1.582   2.370
   80    HB   ILE   9           HB       ILE   9  -2.949   2.587  -0.147
   81   1HG1  ILE   9          2HG1      ILE   9  -1.512   2.303   1.870
   82   2HG1  ILE   9          1HG1      ILE   9  -1.696   3.999   1.420
   83   1HG2  ILE   9          1HG2      ILE   9  -5.166   3.678   1.501
   84   2HG2  ILE   9          2HG2      ILE   9  -4.776   3.968  -0.194
   85   3HG2  ILE   9          3HG2      ILE   9  -3.889   4.815   1.072
   86   1HD1  ILE   9          1HD1      ILE   9  -3.856   3.505   3.119
   87   2HD1  ILE   9          2HD1      ILE   9  -2.380   4.373   3.537
   88   3HD1  ILE   9          3HD1      ILE   9  -2.510   2.646   3.868
   89    H    LYS  10           H        LYS  10  -4.200   1.354  -1.190
   90    HA   LYS  10           HA       LYS  10  -7.029   1.535  -1.556
   91   1HB   LYS  10          2HB       LYS  10  -6.471   0.867  -3.844
   92   2HB   LYS  10          1HB       LYS  10  -5.228   1.963  -3.241
   93   1HG   LYS  10          2HG       LYS  10  -3.828   0.321  -4.011
   94   2HG   LYS  10          1HG       LYS  10  -4.175  -0.393  -2.436
   95   1HD   LYS  10          2HD       LYS  10  -5.676  -1.944  -3.317
   96   2HD   LYS  10          1HD       LYS  10  -6.013  -0.959  -4.740
   97   1HE   LYS  10          2HE       LYS  10  -3.448  -1.373  -5.262
   98   2HE   LYS  10          1HE       LYS  10  -3.691  -2.788  -4.216
   99   1HZ   LYS  10          1HZ       LYS  10  -5.496  -2.055  -6.458
  100   2HZ   LYS  10          2HZ       LYS  10  -5.541  -3.476  -5.529
  101   3HZ   LYS  10          3HZ       LYS  10  -4.247  -3.194  -6.593
  102    H    SER  11           H        SER  11  -5.086  -1.060  -0.432
  103    HA   SER  11           HA       SER  11  -6.842  -3.214  -1.385
  104   1HB   SER  11          2HB       SER  11  -4.446  -3.563  -1.114
  105   2HB   SER  11          1HB       SER  11  -4.526  -3.052   0.569
  106    HG   SER  11           HG       SER  11  -6.168  -5.147  -0.311
  107    H    LEU  12           H        LEU  12  -6.505  -1.208   1.474
  108    HA   LEU  12           HA       LEU  12  -8.218  -2.925   3.141
  109   1HB   LEU  12          2HB       LEU  12  -6.222  -1.197   3.653
  110   2HB   LEU  12          1HB       LEU  12  -7.583  -0.088   3.815
  111    HG   LEU  12           HG       LEU  12  -7.129  -1.061   5.991
  112   1HD1  LEU  12          1HD1      LEU  12  -9.304  -1.932   6.497
  113   2HD1  LEU  12          2HD1      LEU  12  -9.525  -2.514   4.847
  114   3HD1  LEU  12          3HD1      LEU  12  -9.526  -0.782   5.179
  115   1HD2  LEU  12          1HD2      LEU  12  -6.910  -3.528   4.353
  116   2HD2  LEU  12          2HD2      LEU  12  -7.681  -3.722   5.927
  117   3HD2  LEU  12          3HD2      LEU  12  -6.046  -3.072   5.822
  118    H    PHE  13           H        PHE  13  -8.582  -0.187   0.995
  119    HA   PHE  13           HA       PHE  13 -10.971   0.991   1.932
  120   1HB   PHE  13          2HB       PHE  13  -9.303   0.970  -0.383
  121   2HB   PHE  13          1HB       PHE  13 -10.971   0.802  -0.931
  122    HD1  PHE  13           HD1      PHE  13 -12.529   2.608  -0.759
  123    HD2  PHE  13           HD2      PHE  13  -8.669   2.894   1.103
  124    HE1  PHE  13           HE1      PHE  13 -12.916   5.019  -0.326
  125    HE2  PHE  13           HE2      PHE  13  -9.056   5.304   1.535
  126    HZ   PHE  13           HZ       PHE  13 -11.179   6.368   0.821
  127   1HN   NH2  14          1HN       NH2  14 -11.048  -1.184  -0.931
  128   2HN   NH2  14          2HN       NH2  14 -12.463  -2.004  -0.476
  Start of MODEL    3
    1   1H    ILE   1          1H        ILE   1   7.773  -2.282  -2.294
    2   2H    ILE   1          2H        ILE   1   9.152  -3.191  -1.894
    3   3H    ILE   1          3H        ILE   1   9.315  -1.707  -2.706
    4    HA   ILE   1           HA       ILE   1   8.613  -2.196   0.126
    5    HB   ILE   1           HB       ILE   1  10.541  -0.403  -1.388
    6   1HG1  ILE   1          2HG1      ILE   1  10.907  -3.021   0.102
    7   2HG1  ILE   1          1HG1      ILE   1  11.180  -2.733  -1.617
    8   1HG2  ILE   1          1HG2      ILE   1  11.307  -0.829   1.314
    9   2HG2  ILE   1          2HG2      ILE   1   9.603  -0.372   1.331
   10   3HG2  ILE   1          3HG2      ILE   1  10.791   0.683   0.567
   11   1HD1  ILE   1          1HD1      ILE   1  13.314  -2.731  -0.381
   12   2HD1  ILE   1          2HD1      ILE   1  12.716  -1.433   0.653
   13   3HD1  ILE   1          3HD1      ILE   1  12.983  -1.139  -1.065
   14    H    LEU   2           H        LEU   2   8.775   0.466  -2.281
   15    HA   LEU   2           HA       LEU   2   7.256   2.331  -0.722
   16   1HB   LEU   2          2HB       LEU   2   7.783   2.030  -3.695
   17   2HB   LEU   2          1HB       LEU   2   7.073   3.471  -2.966
   18    HG   LEU   2           HG       LEU   2   9.491   2.618  -1.573
   19   1HD1  LEU   2          1HD1      LEU   2  10.460   3.842  -3.973
   20   2HD1  LEU   2          2HD1      LEU   2   9.539   2.405  -4.417
   21   3HD1  LEU   2          3HD1      LEU   2  10.894   2.273  -3.296
   22   1HD2  LEU   2          1HD2      LEU   2   9.923   5.132  -2.576
   23   2HD2  LEU   2          2HD2      LEU   2   9.047   4.800  -1.081
   24   3HD2  LEU   2          3HD2      LEU   2   8.162   5.055  -2.584
   25    H    GLY   3           H        GLY   3   6.306   0.077  -3.327
   26   1HA   GLY   3          2HA       GLY   3   3.522   0.863  -3.292
   27   2HA   GLY   3          1HA       GLY   3   4.169  -0.594  -4.049
   28    H    LYS   4           H        LYS   4   5.473  -1.316  -1.404
   29    HA   LYS   4           HA       LYS   4   3.474  -3.092  -0.419
   30   1HB   LYS   4          2HB       LYS   4   6.003  -1.934   0.791
   31   2HB   LYS   4          1HB       LYS   4   5.116  -3.288   1.492
   32   1HG   LYS   4          2HG       LYS   4   6.223  -3.243  -1.330
   33   2HG   LYS   4          1HG       LYS   4   7.014  -4.023   0.040
   34   1HD   LYS   4          2HD       LYS   4   4.397  -4.985   0.138
   35   2HD   LYS   4          1HD       LYS   4   4.784  -4.969  -1.583
   36   1HE   LYS   4          2HE       LYS   4   6.805  -6.069   0.356
   37   2HE   LYS   4          1HE       LYS   4   5.441  -7.081  -0.158
   38   1HZ   LYS   4          1HZ       LYS   4   6.010  -6.286  -2.489
   39   2HZ   LYS   4          2HZ       LYS   4   7.063  -7.423  -1.790
   40   3HZ   LYS   4          3HZ       LYS   4   7.496  -5.780  -1.845
   41    H    ILE   5           H        ILE   5   4.456   0.151   0.626
   42    HA   ILE   5           HA       ILE   5   2.785   0.211   2.993
   43    HB   ILE   5           HB       ILE   5   3.947   2.432   1.281
   44   1HG1  ILE   5          2HG1      ILE   5   5.333   1.801   3.761
   45   2HG1  ILE   5          1HG1      ILE   5   5.275   0.402   2.688
   46   1HG2  ILE   5          1HG2      ILE   5   3.828   2.939   4.121
   47   2HG2  ILE   5          2HG2      ILE   5   2.225   2.515   3.522
   48   3HG2  ILE   5          3HG2      ILE   5   3.107   3.862   2.803
   49   1HD1  ILE   5          1HD1      ILE   5   7.050   1.353   1.648
   50   2HD1  ILE   5          2HD1      ILE   5   6.756   2.923   2.395
   51   3HD1  ILE   5          3HD1      ILE   5   5.868   2.455   0.945
   52    H    TRP   6           H        TRP   6   2.490   1.854  -0.166
   53    HA   TRP   6           HA       TRP   6  -0.155   2.842   0.200
   54   1HB   TRP   6          2HB       TRP   6   1.192   1.941  -2.358
   55   2HB   TRP   6          1HB       TRP   6  -0.002   3.231  -2.184
   56    HD1  TRP   6           HD1      TRP   6   1.355   4.414   0.523
   57    HE1  TRP   6           HE1      TRP   6   3.497   5.817   0.286
   58    HE3  TRP   6           HE3      TRP   6   2.915   2.865  -4.074
   59    HZ2  TRP   6           HZ2      TRP   6   5.598   6.245  -1.614
   60    HZ3  TRP   6           HZ3      TRP   6   4.986   3.784  -5.081
   61    HH2  TRP   6           HH2      TRP   6   6.330   5.470  -3.855
   62    H    LYS   7           H        LYS   7   1.029  -0.351  -0.551
   63    HA   LYS   7           HA       LYS   7  -1.364  -1.397  -1.796
   64   1HB   LYS   7          2HB       LYS   7   0.761  -2.484  -2.090
   65   2HB   LYS   7          1HB       LYS   7   1.010  -2.600  -0.347
   66   1HG   LYS   7          2HG       LYS   7  -0.206  -4.498  -0.201
   67   2HG   LYS   7          1HG       LYS   7  -1.502  -3.831  -1.195
   68   1HD   LYS   7          2HD       LYS   7  -0.785  -4.984  -2.988
   69   2HD   LYS   7          1HD       LYS   7   0.832  -4.299  -2.825
   70   1HE   LYS   7          2HE       LYS   7   1.577  -6.063  -1.441
   71   2HE   LYS   7          1HE       LYS   7  -0.079  -6.557  -1.033
   72   1HZ   LYS   7          1HZ       LYS   7   0.324  -8.035  -2.693
   73   2HZ   LYS   7          2HZ       LYS   7   1.451  -7.034  -3.478
   74   3HZ   LYS   7          3HZ       LYS   7  -0.215  -6.742  -3.650
   75    H    GLY   8           H        GLY   8  -0.340  -0.901   1.524
   76   1HA   GLY   8          2HA       GLY   8  -2.294  -2.682   2.716
   77   2HA   GLY   8          1HA       GLY   8  -1.389  -1.429   3.567
   78    H    ILE   9           H        ILE   9  -2.270   0.682   1.701
   79    HA   ILE   9           HA       ILE   9  -4.829   1.304   3.006
   80    HB   ILE   9           HB       ILE   9  -3.245   2.795   0.891
   81   1HG1  ILE   9          2HG1      ILE   9  -3.012   2.751   3.913
   82   2HG1  ILE   9          1HG1      ILE   9  -1.759   2.349   2.738
   83   1HG2  ILE   9          1HG2      ILE   9  -5.141   3.811   3.028
   84   2HG2  ILE   9          2HG2      ILE   9  -5.603   3.541   1.346
   85   3HG2  ILE   9          3HG2      ILE   9  -4.389   4.757   1.743
   86   1HD1  ILE   9          1HD1      ILE   9  -1.169   4.535   3.264
   87   2HD1  ILE   9          2HD1      ILE   9  -2.842   5.037   3.506
   88   3HD1  ILE   9          3HD1      ILE   9  -2.218   4.803   1.873
   89    H    LYS  10           H        LYS  10  -3.702   0.202  -0.131
   90    HA   LYS  10           HA       LYS  10  -6.171   0.823  -1.557
   91   1HB   LYS  10          2HB       LYS  10  -3.533  -0.417  -2.023
   92   2HB   LYS  10          1HB       LYS  10  -4.832  -1.086  -3.011
   93   1HG   LYS  10          2HG       LYS  10  -5.418   1.131  -3.827
   94   2HG   LYS  10          1HG       LYS  10  -4.233   1.874  -2.752
   95   1HD   LYS  10          2HD       LYS  10  -2.411   1.043  -3.978
   96   2HD   LYS  10          1HD       LYS  10  -3.378  -0.219  -4.742
   97   1HE   LYS  10          2HE       LYS  10  -4.460   2.413  -5.357
   98   2HE   LYS  10          1HE       LYS  10  -2.760   2.281  -5.856
   99   1HZ   LYS  10          1HZ       LYS  10  -4.673   0.082  -6.343
  100   2HZ   LYS  10          2HZ       LYS  10  -3.187   0.385  -7.108
  101   3HZ   LYS  10          3HZ       LYS  10  -4.533   1.367  -7.440
  102    H    SER  11           H        SER  11  -4.830  -1.983   0.126
  103    HA   SER  11           HA       SER  11  -6.915  -3.822  -0.759
  104   1HB   SER  11          2HB       SER  11  -4.781  -3.841   1.389
  105   2HB   SER  11          1HB       SER  11  -5.842  -5.214   1.090
  106    HG   SER  11           HG       SER  11  -4.540  -4.046  -1.087
  107    H    LEU  12           H        LEU  12  -6.394  -1.690   1.999
  108    HA   LEU  12           HA       LEU  12  -8.690  -2.760   3.498
  109   1HB   LEU  12          2HB       LEU  12  -6.331  -1.367   4.039
  110   2HB   LEU  12          1HB       LEU  12  -7.601  -0.171   4.307
  111    HG   LEU  12           HG       LEU  12  -7.107  -1.467   6.366
  112   1HD1  LEU  12          1HD1      LEU  12  -9.400  -0.581   5.887
  113   2HD1  LEU  12          2HD1      LEU  12  -9.416  -2.023   6.903
  114   3HD1  LEU  12          3HD1      LEU  12  -9.819  -2.145   5.190
  115   1HD2  LEU  12          1HD2      LEU  12  -6.942  -3.729   6.368
  116   2HD2  LEU  12          2HD2      LEU  12  -6.879  -3.603   4.610
  117   3HD2  LEU  12          3HD2      LEU  12  -8.416  -3.915   5.417
  118    H    PHE  13           H        PHE  13  -7.989  -0.103   1.300
  119    HA   PHE  13           HA       PHE  13 -10.253   1.557   1.899
  120   1HB   PHE  13          2HB       PHE  13  -8.366   2.385   0.652
  121   2HB   PHE  13          1HB       PHE  13  -8.529   1.106  -0.552
  122    HD1  PHE  13           HD1      PHE  13 -10.924   3.519   1.051
  123    HD2  PHE  13           HD2      PHE  13  -9.285   1.934  -2.590
  124    HE1  PHE  13           HE1      PHE  13 -12.463   4.951  -0.265
  125    HE2  PHE  13           HE2      PHE  13 -10.824   3.367  -3.906
  126    HZ   PHE  13           HZ       PHE  13 -12.413   4.875  -2.743
  127   1HN   NH2  14          1HN       NH2  14 -12.393   0.818   1.697
  128   2HN   NH2  14          2HN       NH2  14 -12.969  -0.170   0.442
  Start of MODEL    4
    1   1H    ILE   1          1H        ILE   1   9.947  -0.977  -0.939
    2   2H    ILE   1          2H        ILE   1   8.455  -1.761  -1.153
    3   3H    ILE   1          3H        ILE   1   9.485  -2.219   0.119
    4    HA   ILE   1           HA       ILE   1   7.792  -0.904   1.105
    5    HB   ILE   1           HB       ILE   1  10.381   0.582   0.562
    6   1HG1  ILE   1          2HG1      ILE   1   9.460  -1.361   2.697
    7   2HG1  ILE   1          1HG1      ILE   1  10.800  -1.561   1.568
    8   1HG2  ILE   1          1HG2      ILE   1   8.686   2.127   1.435
    9   2HG2  ILE   1          2HG2      ILE   1   9.884   1.778   2.682
   10   3HG2  ILE   1          3HG2      ILE   1   8.303   0.997   2.734
   11   1HD1  ILE   1          1HD1      ILE   1  10.714  -0.125   4.125
   12   2HD1  ILE   1          2HD1      ILE   1  11.412   0.828   2.816
   13   3HD1  ILE   1          3HD1      ILE   1  12.102  -0.742   3.229
   14    H    LEU   2           H        LEU   2   9.031   0.401  -1.916
   15    HA   LEU   2           HA       LEU   2   7.297   2.771  -1.865
   16   1HB   LEU   2          2HB       LEU   2   9.064   1.453  -3.951
   17   2HB   LEU   2          1HB       LEU   2   8.250   3.000  -4.190
   18    HG   LEU   2           HG       LEU   2   9.876   2.672  -1.709
   19   1HD1  LEU   2          1HD1      LEU   2  11.077   1.843  -3.968
   20   2HD1  LEU   2          2HD1      LEU   2  11.937   2.750  -2.724
   21   3HD1  LEU   2          3HD1      LEU   2  11.318   3.580  -4.153
   22   1HD2  LEU   2          1HD2      LEU   2   8.503   4.732  -2.964
   23   2HD2  LEU   2          2HD2      LEU   2  10.182   5.049  -3.399
   24   3HD2  LEU   2          3HD2      LEU   2   9.718   4.934  -1.701
   25    H    GLY   3           H        GLY   3   6.429  -0.317  -2.052
   26   1HA   GLY   3          2HA       GLY   3   4.208   0.272  -3.938
   27   2HA   GLY   3          1HA       GLY   3   5.152  -1.196  -4.197
   28    H    LYS   4           H        LYS   4   5.561  -1.865  -1.443
   29    HA   LYS   4           HA       LYS   4   3.024  -3.185  -0.886
   30   1HB   LYS   4          2HB       LYS   4   5.704  -2.958   0.508
   31   2HB   LYS   4          1HB       LYS   4   4.387  -3.952   1.132
   32   1HG   LYS   4          2HG       LYS   4   4.312  -5.106  -1.116
   33   2HG   LYS   4          1HG       LYS   4   5.790  -4.240  -1.535
   34   1HD   LYS   4          2HD       LYS   4   6.391  -5.283   0.951
   35   2HD   LYS   4          1HD       LYS   4   5.424  -6.564   0.219
   36   1HE   LYS   4          2HE       LYS   4   7.258  -7.184  -0.957
   37   2HE   LYS   4          1HE       LYS   4   7.181  -5.629  -1.810
   38   1HZ   LYS   4          1HZ       LYS   4   9.165  -5.342  -0.771
   39   2HZ   LYS   4          2HZ       LYS   4   8.787  -6.399   0.505
   40   3HZ   LYS   4          3HZ       LYS   4   8.164  -4.818   0.495
   41    H    ILE   5           H        ILE   5   4.656  -0.292   0.246
   42    HA   ILE   5           HA       ILE   5   3.151   0.056   2.688
   43    HB   ILE   5           HB       ILE   5   4.644   1.953   0.854
   44   1HG1  ILE   5          2HG1      ILE   5   5.939   0.067   1.904
   45   2HG1  ILE   5          1HG1      ILE   5   6.476   1.663   2.424
   46   1HG2  ILE   5          1HG2      ILE   5   4.762   3.348   2.996
   47   2HG2  ILE   5          2HG2      ILE   5   3.468   2.322   3.615
   48   3HG2  ILE   5          3HG2      ILE   5   3.198   3.311   2.181
   49   1HD1  ILE   5          1HD1      ILE   5   4.884   1.396   4.408
   50   2HD1  ILE   5          2HD1      ILE   5   6.314   0.364   4.418
   51   3HD1  ILE   5          3HD1      ILE   5   4.751  -0.300   3.944
   52    H    TRP   6           H        TRP   6   2.868   1.564  -0.538
   53    HA   TRP   6           HA       TRP   6   0.458   3.021   0.030
   54   1HB   TRP   6          2HB       TRP   6   1.432   1.974  -2.633
   55   2HB   TRP   6          1HB       TRP   6   0.554   3.473  -2.326
   56    HD1  TRP   6           HD1      TRP   6   3.860   2.405  -3.122
   57    HE1  TRP   6           HE1      TRP   6   5.660   4.031  -2.268
   58    HE3  TRP   6           HE3      TRP   6   1.089   5.128   0.178
   59    HZ2  TRP   6           HZ2      TRP   6   5.898   6.218  -0.433
   60    HZ3  TRP   6           HZ3      TRP   6   2.121   6.980   1.467
   61    HH2  TRP   6           HH2      TRP   6   4.521   7.526   1.166
   62    H    LYS   7           H        LYS   7   1.087  -0.283  -0.984
   63    HA   LYS   7           HA       LYS   7  -1.498  -0.921  -2.051
   64   1HB   LYS   7          2HB       LYS   7   0.433  -2.311  -2.446
   65   2HB   LYS   7          1HB       LYS   7   0.697  -2.528  -0.716
   66   1HG   LYS   7          2HG       LYS   7  -0.826  -4.196  -0.586
   67   2HG   LYS   7          1HG       LYS   7  -1.998  -3.307  -1.560
   68   1HD   LYS   7          2HD       LYS   7  -0.803  -3.947  -3.612
   69   2HD   LYS   7          1HD       LYS   7   0.396  -4.816  -2.651
   70   1HE   LYS   7          2HE       LYS   7  -0.938  -6.644  -2.605
   71   2HE   LYS   7          1HE       LYS   7  -2.255  -5.687  -1.894
   72   1HZ   LYS   7          1HZ       LYS   7  -2.399  -4.734  -4.298
   73   2HZ   LYS   7          2HZ       LYS   7  -3.149  -6.213  -3.928
   74   3HZ   LYS   7          3HZ       LYS   7  -1.650  -6.194  -4.726
   75    H    GLY   8           H        GLY   8  -0.267  -0.703   1.234
   76   1HA   GLY   8          2HA       GLY   8  -2.340  -2.215   2.520
   77   2HA   GLY   8          1HA       GLY   8  -1.332  -1.000   3.306
   78    H    ILE   9           H        ILE   9  -2.159   1.088   1.350
   79    HA   ILE   9           HA       ILE   9  -4.508   2.040   2.777
   80    HB   ILE   9           HB       ILE   9  -2.827   2.964   0.443
   81   1HG1  ILE   9          2HG1      ILE   9  -2.002   3.081   2.840
   82   2HG1  ILE   9          1HG1      ILE   9  -2.064   4.634   2.006
   83   1HG2  ILE   9          1HG2      ILE   9  -4.116   5.038   0.407
   84   2HG2  ILE   9          2HG2      ILE   9  -5.170   4.436   1.687
   85   3HG2  ILE   9          3HG2      ILE   9  -5.194   3.678   0.095
   86   1HD1  ILE   9          1HD1      ILE   9  -4.570   3.906   3.371
   87   2HD1  ILE   9          2HD1      ILE   9  -3.695   5.436   3.368
   88   3HD1  ILE   9          3HD1      ILE   9  -3.201   4.140   4.457
   89    H    LYS  10           H        LYS  10  -3.886   0.756  -0.474
   90    HA   LYS  10           HA       LYS  10  -6.665   1.093  -1.336
   91   1HB   LYS  10          2HB       LYS  10  -5.828   0.103  -3.378
   92   2HB   LYS  10          1HB       LYS  10  -4.576   1.186  -2.770
   93   1HG   LYS  10          2HG       LYS  10  -3.342  -0.666  -1.820
   94   2HG   LYS  10          1HG       LYS  10  -4.650  -1.788  -2.198
   95   1HD   LYS  10          2HD       LYS  10  -3.169  -0.199  -4.306
   96   2HD   LYS  10          1HD       LYS  10  -2.715  -1.837  -3.832
   97   1HE   LYS  10          2HE       LYS  10  -4.364  -2.724  -5.107
   98   2HE   LYS  10          1HE       LYS  10  -5.575  -1.658  -4.365
   99   1HZ   LYS  10          1HZ       LYS  10  -4.847   0.142  -5.766
  100   2HZ   LYS  10          2HZ       LYS  10  -5.252  -1.186  -6.746
  101   3HZ   LYS  10          3HZ       LYS  10  -3.621  -0.817  -6.442
  102    H    SER  11           H        SER  11  -4.707  -1.429   0.123
  103    HA   SER  11           HA       SER  11  -6.333  -3.698  -0.508
  104   1HB   SER  11          2HB       SER  11  -4.255  -4.240   0.359
  105   2HB   SER  11          1HB       SER  11  -4.276  -2.905   1.507
  106    HG   SER  11           HG       SER  11  -4.614  -4.707   2.705
  107    H    LEU  12           H        LEU  12  -6.456  -1.350   2.152
  108    HA   LEU  12           HA       LEU  12  -8.723  -2.718   3.439
  109   1HB   LEU  12          2HB       LEU  12  -6.678  -0.870   4.112
  110   2HB   LEU  12          1HB       LEU  12  -8.211  -0.032   4.358
  111    HG   LEU  12           HG       LEU  12  -8.520  -2.685   5.350
  112   1HD1  LEU  12          1HD1      LEU  12  -6.687  -3.124   6.656
  113   2HD1  LEU  12          2HD1      LEU  12  -6.338  -1.416   6.921
  114   3HD1  LEU  12          3HD1      LEU  12  -5.862  -2.189   5.409
  115   1HD2  LEU  12          1HD2      LEU  12  -9.096  -0.027   6.060
  116   2HD2  LEU  12          2HD2      LEU  12  -8.119  -0.653   7.387
  117   3HD2  LEU  12          3HD2      LEU  12  -9.604  -1.479   6.919
  118    H    PHE  13           H        PHE  13  -8.282  -0.401   0.945
  119    HA   PHE  13           HA       PHE  13 -10.814   1.026   1.360
  120   1HB   PHE  13          2HB       PHE  13  -8.835   2.088   0.367
  121   2HB   PHE  13          1HB       PHE  13  -8.824   0.893  -0.929
  122    HD1  PHE  13           HD1      PHE  13 -11.676   2.725   0.658
  123    HD2  PHE  13           HD2      PHE  13  -9.373   2.045  -2.903
  124    HE1  PHE  13           HE1      PHE  13 -13.271   4.112  -0.638
  125    HE2  PHE  13           HE2      PHE  13 -10.967   3.433  -4.199
  126    HZ   PHE  13           HZ       PHE  13 -12.917   4.467  -3.067
  127   1HN   NH2  14          1HN       NH2  14 -12.686   0.795  -0.105
  128   2HN   NH2  14          2HN       NH2  14 -12.933  -0.626  -1.001
  Start of MODEL    5
    1   1H    ILE   1          1H        ILE   1  10.278  -0.079   0.348
    2   2H    ILE   1          2H        ILE   1   9.989  -1.487  -0.558
    3   3H    ILE   1          3H        ILE   1  10.766  -1.589   0.949
    4    HA   ILE   1           HA       ILE   1   8.308  -2.229   0.873
    5    HB   ILE   1           HB       ILE   1   8.074  -0.951   3.097
    6   1HG1  ILE   1          2HG1      ILE   1  10.820  -0.010   2.204
    7   2HG1  ILE   1          1HG1      ILE   1   9.406   1.011   2.473
    8   1HG2  ILE   1          1HG2      ILE   1   8.951  -3.057   3.437
    9   2HG2  ILE   1          2HG2      ILE   1  10.359  -2.098   3.893
   10   3HG2  ILE   1          3HG2      ILE   1  10.263  -2.812   2.283
   11   1HD1  ILE   1          1HD1      ILE   1  11.104  -0.437   4.487
   12   2HD1  ILE   1          2HD1      ILE   1   9.422  -0.069   4.865
   13   3HD1  ILE   1          3HD1      ILE   1  10.549   1.238   4.499
   14    H    LEU   2           H        LEU   2   8.904   0.304  -0.946
   15    HA   LEU   2           HA       LEU   2   6.934   2.280  -0.203
   16   1HB   LEU   2          2HB       LEU   2   8.137   1.572  -2.901
   17   2HB   LEU   2          1HB       LEU   2   7.402   3.115  -2.464
   18    HG   LEU   2           HG       LEU   2   9.708   1.998  -0.877
   19   1HD1  LEU   2          1HD1      LEU   2  11.154   3.507  -2.310
   20   2HD1  LEU   2          2HD1      LEU   2   9.798   3.620  -3.434
   21   3HD1  LEU   2          3HD1      LEU   2  10.561   2.061  -3.127
   22   1HD2  LEU   2          1HD2      LEU   2   9.858   4.153  -0.006
   23   2HD2  LEU   2          2HD2      LEU   2   8.119   4.029  -0.275
   24   3HD2  LEU   2          3HD2      LEU   2   9.133   4.890  -1.434
   25    H    GLY   3           H        GLY   3   6.902  -0.355  -2.634
   26   1HA   GLY   3          2HA       GLY   3   4.244   0.060  -3.545
   27   2HA   GLY   3          1HA       GLY   3   5.095  -1.484  -3.619
   28    H    LYS   4           H        LYS   4   5.496  -1.708  -0.748
   29    HA   LYS   4           HA       LYS   4   3.119  -3.084   0.006
   30   1HB   LYS   4          2HB       LYS   4   5.549  -1.992   1.415
   31   2HB   LYS   4          1HB       LYS   4   4.269  -2.778   2.338
   32   1HG   LYS   4          2HG       LYS   4   5.819  -3.993   0.032
   33   2HG   LYS   4          1HG       LYS   4   5.962  -4.433   1.735
   34   1HD   LYS   4          2HD       LYS   4   3.247  -4.659   1.286
   35   2HD   LYS   4          1HD       LYS   4   3.936  -5.230  -0.233
   36   1HE   LYS   4          2HE       LYS   4   4.930  -7.068   0.752
   37   2HE   LYS   4          1HE       LYS   4   5.185  -6.229   2.294
   38   1HZ   LYS   4          1HZ       LYS   4   2.424  -6.558   1.431
   39   2HZ   LYS   4          2HZ       LYS   4   3.093  -6.653   2.991
   40   3HZ   LYS   4          3HZ       LYS   4   3.218  -7.972   1.927
   41    H    ILE   5           H        ILE   5   4.102   0.271   0.405
   42    HA   ILE   5           HA       ILE   5   2.000   0.924   2.329
   43    HB   ILE   5           HB       ILE   5   3.904   2.527   0.600
   44   1HG1  ILE   5          2HG1      ILE   5   4.864   1.103   2.433
   45   2HG1  ILE   5          1HG1      ILE   5   5.133   2.829   2.680
   46   1HG2  ILE   5          1HG2      ILE   5   3.260   4.481   1.882
   47   2HG2  ILE   5          2HG2      ILE   5   2.179   3.517   2.888
   48   3HG2  ILE   5          3HG2      ILE   5   1.800   3.778   1.186
   49   1HD1  ILE   5          1HD1      ILE   5   3.152   2.908   4.171
   50   2HD1  ILE   5          2HD1      ILE   5   4.376   1.788   4.770
   51   3HD1  ILE   5          3HD1      ILE   5   2.938   1.171   3.957
   52    H    TRP   6           H        TRP   6   2.597   1.842  -1.075
   53    HA   TRP   6           HA       TRP   6   0.077   3.079  -1.543
   54   1HB   TRP   6          2HB       TRP   6   1.808   1.554  -3.499
   55   2HB   TRP   6          1HB       TRP   6   0.788   2.953  -3.845
   56    HD1  TRP   6           HD1      TRP   6   4.245   2.185  -3.420
   57    HE1  TRP   6           HE1      TRP   6   5.608   4.194  -2.573
   58    HE3  TRP   6           HE3      TRP   6   0.460   5.201  -1.814
   59    HZ2  TRP   6           HZ2      TRP   6   5.158   6.760  -1.380
   60    HZ3  TRP   6           HZ3      TRP   6   0.949   7.423  -0.829
   61    HH2  TRP   6           HH2      TRP   6   3.293   8.205  -0.608
   62    H    LYS   7           H        LYS   7   1.125  -0.293  -1.826
   63    HA   LYS   7           HA       LYS   7  -1.443  -1.168  -2.967
   64   1HB   LYS   7          2HB       LYS   7   0.795  -2.143  -3.528
   65   2HB   LYS   7          1HB       LYS   7   0.920  -2.724  -1.867
   66   1HG   LYS   7          2HG       LYS   7  -1.626  -3.460  -3.085
   67   2HG   LYS   7          1HG       LYS   7  -0.253  -4.091  -3.994
   68   1HD   LYS   7          2HD       LYS   7   0.589  -4.660  -1.498
   69   2HD   LYS   7          1HD       LYS   7  -1.154  -4.736  -1.233
   70   1HE   LYS   7          2HE       LYS   7  -0.118  -6.108  -3.673
   71   2HE   LYS   7          1HE       LYS   7   0.225  -6.873  -2.108
   72   1HZ   LYS   7          1HZ       LYS   7  -2.049  -6.858  -1.539
   73   2HZ   LYS   7          2HZ       LYS   7  -1.989  -7.449  -3.131
   74   3HZ   LYS   7          3HZ       LYS   7  -2.458  -5.842  -2.835
   75    H    GLY   8           H        GLY   8  -0.054  -0.742   0.182
   76   1HA   GLY   8          2HA       GLY   8  -1.862  -2.651   1.493
   77   2HA   GLY   8          1HA       GLY   8  -0.729  -1.571   2.306
   78    H    ILE   9           H        ILE   9  -1.757   0.776   0.766
   79    HA   ILE   9           HA       ILE   9  -3.912   1.496   2.606
   80    HB   ILE   9           HB       ILE   9  -2.532   2.850   0.274
   81   1HG1  ILE   9          2HG1      ILE   9  -2.397   3.412   3.250
   82   2HG1  ILE   9          1HG1      ILE   9  -1.241   2.383   2.402
   83   1HG2  ILE   9          1HG2      ILE   9  -3.718   4.819   1.825
   84   2HG2  ILE   9          2HG2      ILE   9  -4.957   3.567   1.751
   85   3HG2  ILE   9          3HG2      ILE   9  -4.307   4.253   0.262
   86   1HD1  ILE   9          1HD1      ILE   9  -0.090   4.205   1.764
   87   2HD1  ILE   9          2HD1      ILE   9  -1.257   5.239   2.591
   88   3HD1  ILE   9          3HD1      ILE   9  -1.513   4.796   0.903
   89    H    LYS  10           H        LYS  10  -3.625   0.743  -0.847
   90    HA   LYS  10           HA       LYS  10  -6.463   1.310  -1.367
   91   1HB   LYS  10          2HB       LYS  10  -5.843   0.673  -3.637
   92   2HB   LYS  10          1HB       LYS  10  -4.566   1.691  -2.970
   93   1HG   LYS  10          2HG       LYS  10  -3.125  -0.147  -2.611
   94   2HG   LYS  10          1HG       LYS  10  -4.439  -1.316  -2.749
   95   1HD   LYS  10          2HD       LYS  10  -4.687  -0.362  -5.175
   96   2HD   LYS  10          1HD       LYS  10  -3.039   0.215  -4.926
   97   1HE   LYS  10          2HE       LYS  10  -2.818  -1.962  -5.918
   98   2HE   LYS  10          1HE       LYS  10  -2.487  -2.201  -4.191
   99   1HZ   LYS  10          1HZ       LYS  10  -4.871  -2.908  -5.740
  100   2HZ   LYS  10          2HZ       LYS  10  -5.092  -2.415  -4.129
  101   3HZ   LYS  10          3HZ       LYS  10  -4.111  -3.757  -4.483
  102    H    SER  11           H        SER  11  -4.492  -1.443  -0.497
  103    HA   SER  11           HA       SER  11  -6.298  -3.507  -1.427
  104   1HB   SER  11          2HB       SER  11  -3.936  -3.914  -1.015
  105   2HB   SER  11          1HB       SER  11  -4.102  -3.398   0.661
  106    HG   SER  11           HG       SER  11  -4.392  -5.484   0.923
  107    H    LEU  12           H        LEU  12  -5.884  -1.768   1.638
  108    HA   LEU  12           HA       LEU  12  -7.966  -3.359   2.984
  109   1HB   LEU  12          2HB       LEU  12  -5.797  -1.595   3.643
  110   2HB   LEU  12          1HB       LEU  12  -7.271  -0.979   4.393
  111    HG   LEU  12           HG       LEU  12  -7.662  -3.452   5.110
  112   1HD1  LEU  12          1HD1      LEU  12  -6.086  -4.857   4.294
  113   2HD1  LEU  12          2HD1      LEU  12  -5.023  -4.179   5.526
  114   3HD1  LEU  12          3HD1      LEU  12  -4.999  -3.531   3.886
  115   1HD2  LEU  12          1HD2      LEU  12  -5.885  -3.049   7.020
  116   2HD2  LEU  12          2HD2      LEU  12  -7.273  -1.972   6.870
  117   3HD2  LEU  12          3HD2      LEU  12  -5.701  -1.479   6.241
  118    H    PHE  13           H        PHE  13  -7.602  -0.091   1.622
  119    HA   PHE  13           HA       PHE  13 -10.344   0.674   2.375
  120   1HB   PHE  13          2HB       PHE  13  -8.634   2.352   2.433
  121   2HB   PHE  13          1HB       PHE  13  -8.072   1.928   0.816
  122    HD1  PHE  13           HD1      PHE  13 -11.564   2.383   2.069
  123    HD2  PHE  13           HD2      PHE  13  -8.443   3.858  -0.486
  124    HE1  PHE  13           HE1      PHE  13 -13.144   4.025   1.088
  125    HE2  PHE  13           HE2      PHE  13 -10.021   5.500  -1.467
  126    HZ   PHE  13           HZ       PHE  13 -12.372   5.583  -0.680
  127   1HN   NH2  14          1HN       NH2  14  -8.836  -0.945  -0.305
  128   2HN   NH2  14          2HN       NH2  14 -10.129  -0.817  -1.397
  Start of MODEL    6
    1   1H    ILE   1          1H        ILE   1   8.387  -1.434  -0.733
    2   2H    ILE   1          2H        ILE   1   7.543  -1.675   0.723
    3   3H    ILE   1          3H        ILE   1   9.226  -1.903   0.664
    4    HA   ILE   1           HA       ILE   1   8.416   0.261   1.700
    5    HB   ILE   1           HB       ILE   1  10.374   0.028  -0.604
    6   1HG1  ILE   1          2HG1      ILE   1  11.385   0.303   2.127
    7   2HG1  ILE   1          1HG1      ILE   1  10.347  -1.110   1.939
    8   1HG2  ILE   1          1HG2      ILE   1  11.343   2.090   0.035
    9   2HG2  ILE   1          2HG2      ILE   1  10.451   2.136   1.556
   10   3HG2  ILE   1          3HG2      ILE   1   9.610   2.415   0.030
   11   1HD1  ILE   1          1HD1      ILE   1  12.355  -0.608  -0.205
   12   2HD1  ILE   1          2HD1      ILE   1  11.774  -2.137   0.455
   13   3HD1  ILE   1          3HD1      ILE   1  12.961  -1.187   1.348
   14    H    LEU   2           H        LEU   2   9.040   0.861  -1.744
   15    HA   LEU   2           HA       LEU   2   6.933   2.916  -1.793
   16   1HB   LEU   2          2HB       LEU   2   9.059   1.876  -3.668
   17   2HB   LEU   2          1HB       LEU   2   7.863   3.054  -4.210
   18    HG   LEU   2           HG       LEU   2   9.728   3.401  -1.843
   19   1HD1  LEU   2          1HD1      LEU   2  10.312   3.648  -4.534
   20   2HD1  LEU   2          2HD1      LEU   2  11.167   4.471  -3.230
   21   3HD1  LEU   2          3HD1      LEU   2   9.861   5.293  -4.085
   22   1HD2  LEU   2          1HD2      LEU   2   7.263   4.710  -2.640
   23   2HD2  LEU   2          2HD2      LEU   2   8.607   5.851  -2.656
   24   3HD2  LEU   2          3HD2      LEU   2   8.229   4.955  -1.185
   25    H    GLY   3           H        GLY   3   6.569  -0.248  -1.808
   26   1HA   GLY   3          2HA       GLY   3   4.399  -0.165  -3.849
   27   2HA   GLY   3          1HA       GLY   3   5.531  -1.519  -3.851
   28    H    LYS   4           H        LYS   4   5.801  -1.743  -0.996
   29    HA   LYS   4           HA       LYS   4   3.400  -3.306  -0.424
   30   1HB   LYS   4          2HB       LYS   4   5.895  -2.575   1.138
   31   2HB   LYS   4          1HB       LYS   4   4.688  -3.730   1.702
   32   1HG   LYS   4          2HG       LYS   4   5.551  -4.253  -1.046
   33   2HG   LYS   4          1HG       LYS   4   6.876  -4.341   0.113
   34   1HD   LYS   4          2HD       LYS   4   4.376  -5.636   1.003
   35   2HD   LYS   4          1HD       LYS   4   5.146  -6.397  -0.389
   36   1HE   LYS   4          2HE       LYS   4   7.207  -6.718   0.814
   37   2HE   LYS   4          1HE       LYS   4   6.648  -5.696   2.154
   38   1HZ   LYS   4          1HZ       LYS   4   5.268  -7.290   2.924
   39   2HZ   LYS   4          2HZ       LYS   4   6.340  -8.339   2.125
   40   3HZ   LYS   4          3HZ       LYS   4   4.886  -7.874   1.379
   41    H    ILE   5           H        ILE   5   4.626  -0.128   0.431
   42    HA   ILE   5           HA       ILE   5   2.923   0.317   2.723
   43    HB   ILE   5           HB       ILE   5   4.426   2.084   0.781
   44   1HG1  ILE   5          2HG1      ILE   5   5.642   0.528   2.399
   45   2HG1  ILE   5          1HG1      ILE   5   6.052   2.239   2.539
   46   1HG2  ILE   5          1HG2      ILE   5   3.062   3.741   1.544
   47   2HG2  ILE   5          2HG2      ILE   5   4.030   3.620   3.013
   48   3HG2  ILE   5          3HG2      ILE   5   2.487   2.771   2.900
   49   1HD1  ILE   5          1HD1      ILE   5   3.754   1.578   4.190
   50   2HD1  ILE   5          2HD1      ILE   5   5.281   2.328   4.655
   51   3HD1  ILE   5          3HD1      ILE   5   5.142   0.571   4.600
   52    H    TRP   6           H        TRP   6   2.713   1.423  -0.669
   53    HA   TRP   6           HA       TRP   6   0.159   2.689  -0.437
   54   1HB   TRP   6          2HB       TRP   6   1.369   1.339  -2.857
   55   2HB   TRP   6          1HB       TRP   6   0.322   2.761  -2.837
   56    HD1  TRP   6           HD1      TRP   6   3.759   1.966  -3.315
   57    HE1  TRP   6           HE1      TRP   6   5.327   3.894  -2.652
   58    HE3  TRP   6           HE3      TRP   6   0.531   4.827  -0.600
   59    HZ2  TRP   6           HZ2      TRP   6   5.227   6.347  -1.175
   60    HZ3  TRP   6           HZ3      TRP   6   1.285   6.956   0.424
   61    HH2  TRP   6           HH2      TRP   6   3.628   7.717   0.141
   62    H    LYS   7           H        LYS   7   1.115  -0.637  -1.179
   63    HA   LYS   7           HA       LYS   7  -1.445  -1.605  -2.035
   64   1HB   LYS   7          2HB       LYS   7   1.186  -2.533  -1.619
   65   2HB   LYS   7          1HB       LYS   7   0.161  -3.554  -0.610
   66   1HG   LYS   7          2HG       LYS   7  -0.577  -4.660  -2.423
   67   2HG   LYS   7          1HG       LYS   7  -1.130  -3.149  -3.147
   68   1HD   LYS   7          2HD       LYS   7   1.118  -2.725  -4.034
   69   2HD   LYS   7          1HD       LYS   7   1.713  -4.200  -3.270
   70   1HE   LYS   7          2HE       LYS   7   1.091  -5.359  -5.113
   71   2HE   LYS   7          1HE       LYS   7  -0.596  -4.908  -4.798
   72   1HZ   LYS   7          1HZ       LYS   7   1.369  -3.632  -6.547
   73   2HZ   LYS   7          2HZ       LYS   7   0.289  -2.614  -5.721
   74   3HZ   LYS   7          3HZ       LYS   7  -0.303  -3.820  -6.759
   75    H    GLY   8           H        GLY   8  -0.238  -0.723   1.084
   76   1HA   GLY   8          2HA       GLY   8  -1.905  -2.457   2.678
   77   2HA   GLY   8          1HA       GLY   8  -1.127  -0.981   3.246
   78    H    ILE   9           H        ILE   9  -2.229   0.950   1.681
   79    HA   ILE   9           HA       ILE   9  -4.861   1.289   2.829
   80    HB   ILE   9           HB       ILE   9  -3.169   2.725   0.775
   81   1HG1  ILE   9          2HG1      ILE   9  -3.978   4.229   3.101
   82   2HG1  ILE   9          1HG1      ILE   9  -3.299   2.683   3.607
   83   1HG2  ILE   9          1HG2      ILE   9  -6.035   3.098   1.468
   84   2HG2  ILE   9          2HG2      ILE   9  -5.171   3.519  -0.011
   85   3HG2  ILE   9          3HG2      ILE   9  -5.052   4.561   1.407
   86   1HD1  ILE   9          1HD1      ILE   9  -1.987   4.697   1.759
   87   2HD1  ILE   9          2HD1      ILE   9  -1.322   3.112   2.151
   88   3HD1  ILE   9          3HD1      ILE   9  -1.505   4.328   3.415
   89    H    LYS  10           H        LYS  10  -3.673  -0.035  -0.179
   90    HA   LYS  10           HA       LYS  10  -6.125   0.243  -1.703
   91   1HB   LYS  10          2HB       LYS  10  -3.652  -1.498  -1.889
   92   2HB   LYS  10          1HB       LYS  10  -4.925  -1.517  -3.110
   93   1HG   LYS  10          2HG       LYS  10  -3.731   1.107  -2.268
   94   2HG   LYS  10          1HG       LYS  10  -2.862   0.086  -3.414
   95   1HD   LYS  10          2HD       LYS  10  -5.758   0.471  -3.945
   96   2HD   LYS  10          1HD       LYS  10  -4.731   1.886  -4.177
   97   1HE   LYS  10          2HE       LYS  10  -3.755   1.005  -6.040
   98   2HE   LYS  10          1HE       LYS  10  -3.606  -0.602  -5.302
   99   1HZ   LYS  10          1HZ       LYS  10  -6.179  -0.568  -5.476
  100   2HZ   LYS  10          2HZ       LYS  10  -5.256  -0.961  -6.847
  101   3HZ   LYS  10          3HZ       LYS  10  -5.914   0.596  -6.681
  102    H    SER  11           H        SER  11  -4.869  -2.124   0.575
  103    HA   SER  11           HA       SER  11  -6.836  -4.187  -0.085
  104   1HB   SER  11          2HB       SER  11  -4.548  -4.589   0.837
  105   2HB   SER  11          1HB       SER  11  -5.039  -3.794   2.331
  106    HG   SER  11           HG       SER  11  -6.459  -5.420   2.728
  107    H    LEU  12           H        LEU  12  -6.684  -1.412   2.033
  108    HA   LEU  12           HA       LEU  12  -8.907  -2.307   3.743
  109   1HB   LEU  12          2HB       LEU  12  -6.826  -0.305   3.695
  110   2HB   LEU  12          1HB       LEU  12  -8.381   0.468   4.006
  111    HG   LEU  12           HG       LEU  12  -7.263  -1.911   5.520
  112   1HD1  LEU  12          1HD1      LEU  12  -7.744   0.930   6.461
  113   2HD1  LEU  12          2HD1      LEU  12  -6.168   0.322   5.953
  114   3HD1  LEU  12          3HD1      LEU  12  -6.970  -0.374   7.362
  115   1HD2  LEU  12          1HD2      LEU  12  -9.936  -0.900   5.199
  116   2HD2  LEU  12          2HD2      LEU  12  -9.415  -0.620   6.861
  117   3HD2  LEU  12          3HD2      LEU  12  -9.387  -2.251   6.191
  118    H    PHE  13           H        PHE  13  -8.441  -0.370   0.854
  119    HA   PHE  13           HA       PHE  13 -10.882   1.130   0.911
  120   1HB   PHE  13          2HB       PHE  13  -8.708   0.430  -0.922
  121   2HB   PHE  13          1HB       PHE  13 -10.251   0.628  -1.754
  122    HD1  PHE  13           HD1      PHE  13 -11.638   2.669  -0.247
  123    HD2  PHE  13           HD2      PHE  13  -7.463   2.391  -1.215
  124    HE1  PHE  13           HE1      PHE  13 -11.428   5.133  -0.052
  125    HE2  PHE  13           HE2      PHE  13  -7.253   4.853  -1.021
  126    HZ   PHE  13           HZ       PHE  13  -9.235   6.225  -0.439
  127   1HN   NH2  14          1HN       NH2  14 -12.212  -0.903   1.779
  128   2HN   NH2  14          2HN       NH2  14 -12.958  -1.859   0.592
  Start of MODEL    7
    1   1H    ILE   1          1H        ILE   1  10.384   0.751   1.287
    2   2H    ILE   1          2H        ILE   1   9.596   1.911   0.327
    3   3H    ILE   1          3H        ILE   1   9.949   0.376  -0.309
    4    HA   ILE   1           HA       ILE   1   8.290  -0.677   0.915
    5    HB   ILE   1           HB       ILE   1   7.306   0.566   2.892
    6   1HG1  ILE   1          2HG1      ILE   1   9.668   2.422   2.538
    7   2HG1  ILE   1          1HG1      ILE   1   8.067   2.825   1.914
    8   1HG2  ILE   1          1HG2      ILE   1   9.839  -0.715   2.602
    9   2HG2  ILE   1          2HG2      ILE   1   8.827  -0.626   4.044
   10   3HG2  ILE   1          3HG2      ILE   1  10.042   0.616   3.741
   11   1HD1  ILE   1          1HD1      ILE   1   7.580   1.962   4.524
   12   2HD1  ILE   1          2HD1      ILE   1   7.597   3.635   3.966
   13   3HD1  ILE   1          3HD1      ILE   1   9.055   2.921   4.655
   14    H    LEU   2           H        LEU   2   8.181   0.909  -1.473
   15    HA   LEU   2           HA       LEU   2   5.844   2.688  -1.278
   16   1HB   LEU   2          2HB       LEU   2   7.459   1.621  -3.619
   17   2HB   LEU   2          1HB       LEU   2   6.290   2.940  -3.702
   18    HG   LEU   2           HG       LEU   2   8.330   3.257  -1.596
   19   1HD1  LEU   2          1HD1      LEU   2   9.778   4.181  -3.720
   20   2HD1  LEU   2          2HD1      LEU   2   9.070   2.722  -4.410
   21   3HD1  LEU   2          3HD1      LEU   2  10.052   2.619  -2.949
   22   1HD2  LEU   2          1HD2      LEU   2   7.189   5.222  -1.878
   23   2HD2  LEU   2          2HD2      LEU   2   6.779   4.859  -3.554
   24   3HD2  LEU   2          3HD2      LEU   2   8.377   5.488  -3.154
   25    H    GLY   3           H        GLY   3   6.533  -0.145  -3.365
   26   1HA   GLY   3          2HA       GLY   3   3.829  -0.662  -4.039
   27   2HA   GLY   3          1HA       GLY   3   5.115  -1.869  -4.096
   28    H    LYS   4           H        LYS   4   5.585  -1.294  -1.124
   29    HA   LYS   4           HA       LYS   4   3.719  -3.345  -0.142
   30   1HB   LYS   4          2HB       LYS   4   6.044  -1.787   1.016
   31   2HB   LYS   4          1HB       LYS   4   5.154  -3.003   1.932
   32   1HG   LYS   4          2HG       LYS   4   5.673  -4.672   0.153
   33   2HG   LYS   4          1HG       LYS   4   6.649  -3.452  -0.667
   34   1HD   LYS   4          2HD       LYS   4   8.392  -4.037   0.628
   35   2HD   LYS   4          1HD       LYS   4   7.495  -3.461   2.034
   36   1HE   LYS   4          2HE       LYS   4   6.770  -5.594   2.617
   37   2HE   LYS   4          1HE       LYS   4   6.864  -6.192   0.947
   38   1HZ   LYS   4          1HZ       LYS   4   9.181  -5.433   2.649
   39   2HZ   LYS   4          2HZ       LYS   4   9.271  -5.973   1.040
   40   3HZ   LYS   4          3HZ       LYS   4   8.723  -7.019   2.262
   41    H    ILE   5           H        ILE   5   4.304   0.117   0.309
   42    HA   ILE   5           HA       ILE   5   2.313   0.359   2.447
   43    HB   ILE   5           HB       ILE   5   4.005   2.258   0.813
   44   1HG1  ILE   5          2HG1      ILE   5   5.065   0.810   2.582
   45   2HG1  ILE   5          1HG1      ILE   5   5.214   2.540   2.899
   46   1HG2  ILE   5          1HG2      ILE   5   1.868   3.364   1.398
   47   2HG2  ILE   5          2HG2      ILE   5   3.217   4.052   2.304
   48   3HG2  ILE   5          3HG2      ILE   5   2.111   2.924   3.089
   49   1HD1  ILE   5          1HD1      ILE   5   4.532   1.328   4.939
   50   2HD1  ILE   5          2HD1      ILE   5   3.115   0.705   4.095
   51   3HD1  ILE   5          3HD1      ILE   5   3.263   2.434   4.409
   52    H    TRP   6           H        TRP   6   2.574   1.660  -0.875
   53    HA   TRP   6           HA       TRP   6  -0.083   2.690  -1.024
   54   1HB   TRP   6          2HB       TRP   6   1.636   1.581  -3.254
   55   2HB   TRP   6          1HB       TRP   6   0.456   2.890  -3.369
   56    HD1  TRP   6           HD1      TRP   6   3.978   2.498  -3.305
   57    HE1  TRP   6           HE1      TRP   6   5.195   4.516  -2.279
   58    HE3  TRP   6           HE3      TRP   6   0.062   4.805  -0.994
   59    HZ2  TRP   6           HZ2      TRP   6   4.591   6.826  -0.696
   60    HZ3  TRP   6           HZ3      TRP   6   0.406   6.913   0.264
   61    HH2  TRP   6           HH2      TRP   6   2.664   7.926   0.416
   62    H    LYS   7           H        LYS   7   1.112  -0.567  -1.219
   63    HA   LYS   7           HA       LYS   7  -1.237  -1.594  -2.674
   64   1HB   LYS   7          2HB       LYS   7   0.986  -2.563  -2.997
   65   2HB   LYS   7          1HB       LYS   7   1.120  -2.894  -1.269
   66   1HG   LYS   7          2HG       LYS   7  -1.238  -3.990  -2.757
   67   2HG   LYS   7          1HG       LYS   7   0.324  -4.789  -2.944
   68   1HD   LYS   7          2HD       LYS   7   0.234  -5.671  -0.865
   69   2HD   LYS   7          1HD       LYS   7  -0.267  -4.136  -0.156
   70   1HE   LYS   7          2HE       LYS   7  -2.439  -4.788  -0.094
   71   2HE   LYS   7          1HE       LYS   7  -2.387  -5.324  -1.786
   72   1HZ   LYS   7          1HZ       LYS   7  -0.865  -6.890   0.145
   73   2HZ   LYS   7          2HZ       LYS   7  -1.740  -7.403  -1.218
   74   3HZ   LYS   7          3HZ       LYS   7  -2.554  -7.031   0.227
   75    H    GLY   8           H        GLY   8  -0.202  -1.132   0.635
   76   1HA   GLY   8          2HA       GLY   8  -2.204  -2.988   1.723
   77   2HA   GLY   8          1HA       GLY   8  -1.132  -1.951   2.666
   78    H    ILE   9           H        ILE   9  -1.874   0.457   1.110
   79    HA   ILE   9           HA       ILE   9  -4.249   1.191   2.658
   80    HB   ILE   9           HB       ILE   9  -2.642   2.672   0.552
   81   1HG1  ILE   9          2HG1      ILE   9  -2.384   2.638   3.578
   82   2HG1  ILE   9          1HG1      ILE   9  -1.261   1.876   2.451
   83   1HG2  ILE   9          1HG2      ILE   9  -3.712   4.381   2.552
   84   2HG2  ILE   9          2HG2      ILE   9  -5.027   3.333   2.019
   85   3HG2  ILE   9          3HG2      ILE   9  -4.151   4.315   0.845
   86   1HD1  ILE   9          1HD1      ILE   9  -0.185   3.899   2.737
   87   2HD1  ILE   9          2HD1      ILE   9  -1.687   4.775   3.033
   88   3HD1  ILE   9          3HD1      ILE   9  -1.241   4.323   1.388
   89    H    LYS  10           H        LYS  10  -3.454   0.610  -0.748
   90    HA   LYS  10           HA       LYS  10  -6.049   1.414  -1.774
   91   1HB   LYS  10          2HB       LYS  10  -5.154   0.496  -3.849
   92   2HB   LYS  10          1HB       LYS  10  -3.861   1.358  -3.013
   93   1HG   LYS  10          2HG       LYS  10  -2.670  -0.553  -3.273
   94   2HG   LYS  10          1HG       LYS  10  -3.655  -1.174  -1.947
   95   1HD   LYS  10          2HD       LYS  10  -3.809  -2.768  -3.746
   96   2HD   LYS  10          1HD       LYS  10  -5.349  -1.911  -3.678
   97   1HE   LYS  10          2HE       LYS  10  -3.852  -0.312  -5.377
   98   2HE   LYS  10          1HE       LYS  10  -3.353  -1.955  -5.827
   99   1HZ   LYS  10          1HZ       LYS  10  -5.457  -1.116  -6.910
  100   2HZ   LYS  10          2HZ       LYS  10  -6.187  -1.212  -5.379
  101   3HZ   LYS  10          3HZ       LYS  10  -5.578  -2.614  -6.123
  102    H    SER  11           H        SER  11  -4.755  -1.505  -0.369
  103    HA   SER  11           HA       SER  11  -6.788  -3.291  -1.486
  104   1HB   SER  11          2HB       SER  11  -4.395  -3.378   0.206
  105   2HB   SER  11          1HB       SER  11  -5.648  -4.494   0.741
  106    HG   SER  11           HG       SER  11  -5.722  -5.296  -1.402
  107    H    LEU  12           H        LEU  12  -6.429  -1.284   1.372
  108    HA   LEU  12           HA       LEU  12  -8.660  -2.565   2.806
  109   1HB   LEU  12          2HB       LEU  12  -6.456  -0.793   3.317
  110   2HB   LEU  12          1HB       LEU  12  -7.941  -0.023   3.875
  111    HG   LEU  12           HG       LEU  12  -6.923  -1.429   5.644
  112   1HD1  LEU  12          1HD1      LEU  12  -8.984  -2.024   6.388
  113   2HD1  LEU  12          2HD1      LEU  12  -9.285  -3.059   4.994
  114   3HD1  LEU  12          3HD1      LEU  12  -9.569  -1.322   4.880
  115   1HD2  LEU  12          1HD2      LEU  12  -6.603  -3.761   5.380
  116   2HD2  LEU  12          2HD2      LEU  12  -6.008  -3.079   3.867
  117   3HD2  LEU  12          3HD2      LEU  12  -7.606  -3.821   3.932
  118    H    PHE  13           H        PHE  13  -8.235  -0.029   0.484
  119    HA   PHE  13           HA       PHE  13 -10.625   1.494   1.194
  120   1HB   PHE  13          2HB       PHE  13  -8.469   1.469  -0.837
  121   2HB   PHE  13          1HB       PHE  13 -10.002   2.148  -1.386
  122    HD1  PHE  13           HD1      PHE  13 -11.179   3.666   0.568
  123    HD2  PHE  13           HD2      PHE  13  -6.967   2.998   0.060
  124    HE1  PHE  13           HE1      PHE  13 -10.698   5.761   1.806
  125    HE2  PHE  13           HE2      PHE  13  -6.485   5.092   1.298
  126    HZ   PHE  13           HZ       PHE  13  -8.350   6.474   2.170
  127   1HN   NH2  14          1HN       NH2  14 -12.155   1.791  -1.020
  128   2HN   NH2  14          2HN       NH2  14 -12.797   0.319  -1.571
  Start of MODEL    8
    1   1H    ILE   1          1H        ILE   1   9.418  -1.130  -1.150
    2   2H    ILE   1          2H        ILE   1  10.278  -2.325  -0.304
    3   3H    ILE   1          3H        ILE   1  10.765  -0.700  -0.214
    4    HA   ILE   1           HA       ILE   1   8.625  -2.078   1.208
    5    HB   ILE   1           HB       ILE   1  10.865  -1.225   2.060
    6   1HG1  ILE   1          2HG1      ILE   1   8.955   0.367   3.617
    7   2HG1  ILE   1          1HG1      ILE   1   8.359  -1.252   3.253
    8   1HG2  ILE   1          1HG2      ILE   1  11.401   1.003   2.000
    9   2HG2  ILE   1          2HG2      ILE   1   9.723   1.516   2.187
   10   3HG2  ILE   1          3HG2      ILE   1  10.315   0.994   0.610
   11   1HD1  ILE   1          1HD1      ILE   1  11.184  -0.964   4.193
   12   2HD1  ILE   1          2HD1      ILE   1  10.053  -2.294   4.439
   13   3HD1  ILE   1          3HD1      ILE   1   9.889  -0.811   5.380
   14    H    LEU   2           H        LEU   2   9.047   0.695  -0.876
   15    HA   LEU   2           HA       LEU   2   6.860   2.296   0.120
   16   1HB   LEU   2          2HB       LEU   2   8.097   2.131  -2.648
   17   2HB   LEU   2          1HB       LEU   2   7.212   3.503  -1.979
   18    HG   LEU   2           HG       LEU   2   9.501   2.522  -0.364
   19   1HD1  LEU   2          1HD1      LEU   2  11.054   2.694  -1.982
   20   2HD1  LEU   2          2HD1      LEU   2  10.571   4.370  -2.242
   21   3HD1  LEU   2          3HD1      LEU   2   9.804   3.078  -3.164
   22   1HD2  LEU   2          1HD2      LEU   2   8.346   5.196  -1.192
   23   2HD2  LEU   2          2HD2      LEU   2   9.829   5.051  -0.251
   24   3HD2  LEU   2          3HD2      LEU   2   8.306   4.454   0.408
   25    H    GLY   3           H        GLY   3   7.124   0.055  -2.667
   26   1HA   GLY   3          2HA       GLY   3   4.444   0.261  -3.552
   27   2HA   GLY   3          1HA       GLY   3   5.459  -1.162  -3.790
   28    H    LYS   4           H        LYS   4   5.775  -1.298  -0.752
   29    HA   LYS   4           HA       LYS   4   3.581  -3.142  -0.279
   30   1HB   LYS   4          2HB       LYS   4   5.728  -1.928   1.487
   31   2HB   LYS   4          1HB       LYS   4   4.688  -3.269   1.967
   32   1HG   LYS   4          2HG       LYS   4   5.946  -3.698  -0.641
   33   2HG   LYS   4          1HG       LYS   4   7.123  -3.509   0.660
   34   1HD   LYS   4          2HD       LYS   4   6.183  -5.310   1.909
   35   2HD   LYS   4          1HD       LYS   4   4.736  -5.348   0.901
   36   1HE   LYS   4          2HE       LYS   4   6.849  -5.685  -0.913
   37   2HE   LYS   4          1HE       LYS   4   7.280  -6.696   0.480
   38   1HZ   LYS   4          1HZ       LYS   4   4.902  -6.817  -1.235
   39   2HZ   LYS   4          2HZ       LYS   4   4.737  -7.242   0.401
   40   3HZ   LYS   4          3HZ       LYS   4   5.829  -8.083  -0.592
   41    H    ILE   5           H        ILE   5   4.282   0.203   0.592
   42    HA   ILE   5           HA       ILE   5   2.125   0.434   2.537
   43    HB   ILE   5           HB       ILE   5   3.877   2.384   1.018
   44   1HG1  ILE   5          2HG1      ILE   5   4.875   0.818   2.761
   45   2HG1  ILE   5          1HG1      ILE   5   5.105   2.538   3.079
   46   1HG2  ILE   5          1HG2      ILE   5   2.349   3.951   1.602
   47   2HG2  ILE   5          2HG2      ILE   5   2.908   3.698   3.256
   48   3HG2  ILE   5          3HG2      ILE   5   1.490   2.832   2.663
   49   1HD1  ILE   5          1HD1      ILE   5   4.232   0.950   4.997
   50   2HD1  ILE   5          2HD1      ILE   5   2.680   1.166   4.188
   51   3HD1  ILE   5          3HD1      ILE   5   3.552   2.566   4.811
   52    H    TRP   6           H        TRP   6   2.606   1.641  -0.790
   53    HA   TRP   6           HA       TRP   6   0.030   2.797  -1.141
   54   1HB   TRP   6          2HB       TRP   6   1.779   1.437  -3.202
   55   2HB   TRP   6          1HB       TRP   6   0.689   2.802  -3.466
   56    HD1  TRP   6           HD1      TRP   6   4.183   2.182  -3.150
   57    HE1  TRP   6           HE1      TRP   6   5.470   4.210  -2.231
   58    HE3  TRP   6           HE3      TRP   6   0.301   4.929  -1.315
   59    HZ2  TRP   6           HZ2      TRP   6   4.928   6.691  -0.902
   60    HZ3  TRP   6           HZ3      TRP   6   0.708   7.121  -0.228
   61    HH2  TRP   6           HH2      TRP   6   3.016   8.004  -0.019
   62    H    LYS   7           H        LYS   7   1.206  -0.507  -1.658
   63    HA   LYS   7           HA       LYS   7  -1.205  -1.503  -2.907
   64   1HB   LYS   7          2HB       LYS   7   0.993  -2.558  -3.143
   65   2HB   LYS   7          1HB       LYS   7   1.070  -2.839  -1.403
   66   1HG   LYS   7          2HG       LYS   7  -0.946  -4.276  -1.560
   67   2HG   LYS   7          1HG       LYS   7  -0.971  -4.028  -3.307
   68   1HD   LYS   7          2HD       LYS   7   0.788  -5.435  -3.666
   69   2HD   LYS   7          1HD       LYS   7   1.618  -4.936  -2.192
   70   1HE   LYS   7          2HE       LYS   7   0.682  -6.616  -0.963
   71   2HE   LYS   7          1HE       LYS   7  -0.908  -6.405  -1.724
   72   1HZ   LYS   7          1HZ       LYS   7   1.373  -7.450  -3.276
   73   2HZ   LYS   7          2HZ       LYS   7  -0.290  -7.637  -3.567
   74   3HZ   LYS   7          3HZ       LYS   7   0.456  -8.496  -2.306
   75    H    GLY   8           H        GLY   8  -0.149  -1.090   0.420
   76   1HA   GLY   8          2HA       GLY   8  -2.222  -2.799   1.551
   77   2HA   GLY   8          1HA       GLY   8  -1.187  -1.692   2.455
   78    H    ILE   9           H        ILE   9  -1.957   0.544   0.581
   79    HA   ILE   9           HA       ILE   9  -4.158   1.593   2.116
   80    HB   ILE   9           HB       ILE   9  -2.787   2.374  -0.469
   81   1HG1  ILE   9          2HG1      ILE   9  -1.393   2.505   1.539
   82   2HG1  ILE   9          1HG1      ILE   9  -1.809   4.135   1.007
   83   1HG2  ILE   9          1HG2      ILE   9  -3.907   4.553  -0.242
   84   2HG2  ILE   9          2HG2      ILE   9  -4.789   3.963   1.166
   85   3HG2  ILE   9          3HG2      ILE   9  -5.098   3.265  -0.423
   86   1HD1  ILE   9          1HD1      ILE   9  -2.683   2.654   3.433
   87   2HD1  ILE   9          2HD1      ILE   9  -3.896   3.669   2.652
   88   3HD1  ILE   9          3HD1      ILE   9  -2.382   4.378   3.214
   89    H    LYS  10           H        LYS  10  -3.931   0.437  -1.253
   90    HA   LYS  10           HA       LYS  10  -6.730   0.755  -1.852
   91   1HB   LYS  10          2HB       LYS  10  -4.278  -0.331  -3.028
   92   2HB   LYS  10          1HB       LYS  10  -5.707  -1.260  -3.482
   93   1HG   LYS  10          2HG       LYS  10  -6.051   1.675  -3.568
   94   2HG   LYS  10          1HG       LYS  10  -4.917   1.023  -4.751
   95   1HD   LYS  10          2HD       LYS  10  -7.569  -0.329  -4.372
   96   2HD   LYS  10          1HD       LYS  10  -7.485   1.149  -5.332
   97   1HE   LYS  10          2HE       LYS  10  -5.461  -0.069  -6.511
   98   2HE   LYS  10          1HE       LYS  10  -6.243  -1.533  -5.883
   99   1HZ   LYS  10          1HZ       LYS  10  -7.673   0.608  -7.364
  100   2HZ   LYS  10          2HZ       LYS  10  -8.298  -0.896  -6.882
  101   3HZ   LYS  10          3HZ       LYS  10  -7.103  -0.815  -8.087
  102    H    SER  11           H        SER  11  -4.898  -1.725  -0.202
  103    HA   SER  11           HA       SER  11  -6.938  -3.809  -0.484
  104   1HB   SER  11          2HB       SER  11  -4.520  -3.494   1.324
  105   2HB   SER  11          1HB       SER  11  -5.420  -4.990   1.088
  106    HG   SER  11           HG       SER  11  -3.515  -4.732  -0.258
  107    H    LEU  12           H        LEU  12  -6.283  -1.171   1.703
  108    HA   LEU  12           HA       LEU  12  -7.933  -2.255   3.886
  109   1HB   LEU  12          2HB       LEU  12  -6.040  -0.103   3.376
  110   2HB   LEU  12          1HB       LEU  12  -7.452   0.486   4.254
  111    HG   LEU  12           HG       LEU  12  -6.848  -1.963   5.465
  112   1HD1  LEU  12          1HD1      LEU  12  -4.459  -0.745   4.295
  113   2HD1  LEU  12          2HD1      LEU  12  -4.661  -2.338   5.025
  114   3HD1  LEU  12          3HD1      LEU  12  -4.331  -0.937   6.044
  115   1HD2  LEU  12          1HD2      LEU  12  -6.217   0.904   6.225
  116   2HD2  LEU  12          2HD2      LEU  12  -6.077  -0.452   7.344
  117   3HD2  LEU  12          3HD2      LEU  12  -7.650  -0.025   6.668
  118    H    PHE  13           H        PHE  13  -8.287  -0.034   1.171
  119    HA   PHE  13           HA       PHE  13 -10.563   1.439   1.850
  120   1HB   PHE  13          2HB       PHE  13  -9.356   0.291  -0.620
  121   2HB   PHE  13          1HB       PHE  13 -11.006   0.898  -0.758
  122    HD1  PHE  13           HD1      PHE  13 -11.038   3.045  -1.660
  123    HD2  PHE  13           HD2      PHE  13  -7.981   2.006   1.172
  124    HE1  PHE  13           HE1      PHE  13 -10.178   5.370  -1.736
  125    HE2  PHE  13           HE2      PHE  13  -7.120   4.331   1.096
  126    HZ   PHE  13           HZ       PHE  13  -8.219   6.013  -0.358
  127   1HN   NH2  14          1HN       NH2  14 -12.874   0.987   1.691
  128   2HN   NH2  14          2HN       NH2  14 -13.483  -0.595   1.621
  Start of MODEL    9
    1   1H    ILE   1          1H        ILE   1   8.613  -2.359   1.534
    2   2H    ILE   1          2H        ILE   1   9.256  -3.217   0.216
    3   3H    ILE   1          3H        ILE   1   7.669  -2.614   0.148
    4    HA   ILE   1           HA       ILE   1  10.004  -0.813   0.463
    5    HB   ILE   1           HB       ILE   1   9.802  -0.606  -2.049
    6   1HG1  ILE   1          2HG1      ILE   1   8.304  -3.223  -1.902
    7   2HG1  ILE   1          1HG1      ILE   1   7.445  -1.684  -1.963
    8   1HG2  ILE   1          1HG2      ILE   1  11.048  -2.626  -0.478
    9   2HG2  ILE   1          2HG2      ILE   1  11.554  -2.017  -2.054
   10   3HG2  ILE   1          3HG2      ILE   1  10.462  -3.398  -1.952
   11   1HD1  ILE   1          1HD1      ILE   1   7.785  -2.696  -4.225
   12   2HD1  ILE   1          2HD1      ILE   1   9.527  -2.564  -3.985
   13   3HD1  ILE   1          3HD1      ILE   1   8.535  -1.108  -4.064
   14    H    LEU   2           H        LEU   2   8.969   0.987  -1.458
   15    HA   LEU   2           HA       LEU   2   6.973   2.390   0.070
   16   1HB   LEU   2          2HB       LEU   2   7.844   2.674  -2.826
   17   2HB   LEU   2          1HB       LEU   2   7.041   3.914  -1.862
   18    HG   LEU   2           HG       LEU   2   9.735   2.684  -1.212
   19   1HD1  LEU   2          1HD1      LEU   2  10.742   4.422  -2.296
   20   2HD1  LEU   2          2HD1      LEU   2   9.476   5.564  -1.846
   21   3HD1  LEU   2          3HD1      LEU   2   9.232   4.470  -3.209
   22   1HD2  LEU   2          1HD2      LEU   2   9.280   5.154   0.107
   23   2HD2  LEU   2          2HD2      LEU   2   9.392   3.553   0.838
   24   3HD2  LEU   2          3HD2      LEU   2   7.823   4.186   0.337
   25    H    GLY   3           H        GLY   3   6.791   0.615  -3.037
   26   1HA   GLY   3          2HA       GLY   3   4.056   0.978  -3.573
   27   2HA   GLY   3          1HA       GLY   3   4.963  -0.461  -4.048
   28    H    LYS   4           H        LYS   4   5.637  -1.375  -1.430
   29    HA   LYS   4           HA       LYS   4   3.377  -2.956  -0.761
   30   1HB   LYS   4          2HB       LYS   4   5.901  -2.106   0.663
   31   2HB   LYS   4          1HB       LYS   4   4.754  -3.209   1.421
   32   1HG   LYS   4          2HG       LYS   4   4.946  -4.421  -0.960
   33   2HG   LYS   4          1HG       LYS   4   6.531  -3.647  -0.933
   34   1HD   LYS   4          2HD       LYS   4   7.207  -4.803   0.995
   35   2HD   LYS   4          1HD       LYS   4   5.547  -5.174   1.468
   36   1HE   LYS   4          2HE       LYS   4   5.671  -6.412  -0.971
   37   2HE   LYS   4          1HE       LYS   4   7.334  -6.627  -0.387
   38   1HZ   LYS   4          1HZ       LYS   4   5.609  -8.315   0.391
   39   2HZ   LYS   4          2HZ       LYS   4   5.000  -7.071   1.376
   40   3HZ   LYS   4          3HZ       LYS   4   6.598  -7.615   1.578
   41    H    ILE   5           H        ILE   5   4.384   0.233   0.348
   42    HA   ILE   5           HA       ILE   5   2.538   0.374   2.586
   43    HB   ILE   5           HB       ILE   5   4.169   2.343   0.973
   44   1HG1  ILE   5          2HG1      ILE   5   5.262   0.692   2.562
   45   2HG1  ILE   5          1HG1      ILE   5   5.573   2.389   2.932
   46   1HG2  ILE   5          1HG2      ILE   5   2.711   3.920   1.720
   47   2HG2  ILE   5          2HG2      ILE   5   3.497   3.670   3.279
   48   3HG2  ILE   5          3HG2      ILE   5   1.993   2.828   2.905
   49   1HD1  ILE   5          1HD1      ILE   5   4.995   1.218   4.992
   50   2HD1  ILE   5          2HD1      ILE   5   3.511   0.606   4.260
   51   3HD1  ILE   5          3HD1      ILE   5   3.693   2.331   4.575
   52    H    TRP   6           H        TRP   6   2.572   2.008  -0.595
   53    HA   TRP   6           HA       TRP   6  -0.037   3.121  -0.446
   54   1HB   TRP   6          2HB       TRP   6   1.459   2.133  -2.885
   55   2HB   TRP   6          1HB       TRP   6   0.319   3.480  -2.812
   56    HD1  TRP   6           HD1      TRP   6   1.514   4.622  -0.012
   57    HE1  TRP   6           HE1      TRP   6   3.733   5.918  -0.086
   58    HE3  TRP   6           HE3      TRP   6   3.352   2.959  -4.463
   59    HZ2  TRP   6           HZ2      TRP   6   5.995   6.229  -1.817
   60    HZ3  TRP   6           HZ3      TRP   6   5.538   3.768  -5.309
   61    HH2  TRP   6           HH2      TRP   6   6.862   5.399  -3.990
   62    H    LYS   7           H        LYS   7   1.077  -0.083  -1.433
   63    HA   LYS   7           HA       LYS   7  -1.395  -0.954  -2.644
   64   1HB   LYS   7          2HB       LYS   7   1.111  -1.849  -2.636
   65   2HB   LYS   7          1HB       LYS   7   0.519  -2.819  -1.288
   66   1HG   LYS   7          2HG       LYS   7  -1.508  -3.131  -3.102
   67   2HG   LYS   7          1HG       LYS   7  -0.104  -3.020  -4.165
   68   1HD   LYS   7          2HD       LYS   7   0.975  -4.707  -2.469
   69   2HD   LYS   7          1HD       LYS   7  -0.698  -5.045  -2.026
   70   1HE   LYS   7          2HE       LYS   7  -1.097  -5.303  -4.591
   71   2HE   LYS   7          1HE       LYS   7   0.667  -5.483  -4.680
   72   1HZ   LYS   7          1HZ       LYS   7  -1.064  -6.997  -2.800
   73   2HZ   LYS   7          2HZ       LYS   7   0.596  -7.229  -3.076
   74   3HZ   LYS   7          3HZ       LYS   7  -0.530  -7.611  -4.289
   75    H    GLY   8           H        GLY   8  -0.237  -0.771   0.659
   76   1HA   GLY   8          2HA       GLY   8  -2.169  -2.630   1.766
   77   2HA   GLY   8          1HA       GLY   8  -1.209  -1.471   2.687
   78    H    ILE   9           H        ILE   9  -2.236   0.716   0.825
   79    HA   ILE   9           HA       ILE   9  -4.547   1.450   2.450
   80    HB   ILE   9           HB       ILE   9  -3.292   2.694  -0.018
   81   1HG1  ILE   9          2HG1      ILE   9  -1.790   2.323   2.005
   82   2HG1  ILE   9          1HG1      ILE   9  -1.965   4.004   1.499
   83   1HG2  ILE   9          1HG2      ILE   9  -5.174   3.787   2.094
   84   2HG2  ILE   9          2HG2      ILE   9  -5.516   3.588   0.375
   85   3HG2  ILE   9          3HG2      ILE   9  -4.334   4.785   0.907
   86   1HD1  ILE   9          1HD1      ILE   9  -3.601   4.422   3.235
   87   2HD1  ILE   9          2HD1      ILE   9  -2.193   3.667   3.982
   88   3HD1  ILE   9          3HD1      ILE   9  -3.643   2.713   3.667
   89    H    LYS  10           H        LYS  10  -4.004   0.336  -0.870
   90    HA   LYS  10           HA       LYS  10  -6.776   0.697  -1.699
   91   1HB   LYS  10          2HB       LYS  10  -5.980  -0.433  -3.716
   92   2HB   LYS  10          1HB       LYS  10  -4.756   0.721  -3.185
   93   1HG   LYS  10          2HG       LYS  10  -3.244  -0.922  -2.907
   94   2HG   LYS  10          1HG       LYS  10  -4.355  -1.831  -1.881
   95   1HD   LYS  10          2HD       LYS  10  -3.945  -3.254  -3.737
   96   2HD   LYS  10          1HD       LYS  10  -5.523  -2.536  -4.061
   97   1HE   LYS  10          2HE       LYS  10  -4.754  -1.556  -5.954
   98   2HE   LYS  10          1HE       LYS  10  -3.372  -0.854  -5.089
   99   1HZ   LYS  10          1HZ       LYS  10  -2.563  -2.450  -6.677
  100   2HZ   LYS  10          2HZ       LYS  10  -3.610  -3.646  -6.081
  101   3HZ   LYS  10          3HZ       LYS  10  -2.334  -3.074  -5.117
  102    H    SER  11           H        SER  11  -5.054  -1.700   0.089
  103    HA   SER  11           HA       SER  11  -6.782  -3.956  -0.590
  104   1HB   SER  11          2HB       SER  11  -4.626  -3.333   1.416
  105   2HB   SER  11          1HB       SER  11  -5.545  -4.830   1.538
  106    HG   SER  11           HG       SER  11  -3.587  -4.103  -0.217
  107    H    LEU  12           H        LEU  12  -6.426  -1.799   2.227
  108    HA   LEU  12           HA       LEU  12  -8.819  -2.923   3.522
  109   1HB   LEU  12          2HB       LEU  12  -6.517  -1.241   4.150
  110   2HB   LEU  12          1HB       LEU  12  -8.006  -0.588   4.830
  111    HG   LEU  12           HG       LEU  12  -7.002  -3.427   5.183
  112   1HD1  LEU  12          1HD1      LEU  12  -6.091  -2.778   7.164
  113   2HD1  LEU  12          2HD1      LEU  12  -7.419  -1.675   7.518
  114   3HD1  LEU  12          3HD1      LEU  12  -6.109  -1.164   6.453
  115   1HD2  LEU  12          1HD2      LEU  12  -9.083  -2.563   6.997
  116   2HD2  LEU  12          2HD2      LEU  12  -9.074  -3.948   5.905
  117   3HD2  LEU  12          3HD2      LEU  12  -9.620  -2.375   5.327
  118    H    PHE  13           H        PHE  13  -8.003  -0.242   1.442
  119    HA   PHE  13           HA       PHE  13 -10.423   1.305   2.075
  120   1HB   PHE  13          2HB       PHE  13  -8.170   2.234   1.407
  121   2HB   PHE  13          1HB       PHE  13  -8.436   1.564  -0.203
  122    HD1  PHE  13           HD1      PHE  13 -10.297   3.609   2.342
  123    HD2  PHE  13           HD2      PHE  13  -9.355   2.980  -1.801
  124    HE1  PHE  13           HE1      PHE  13 -11.645   5.600   1.733
  125    HE2  PHE  13           HE2      PHE  13 -10.702   4.971  -2.411
  126    HZ   PHE  13           HZ       PHE  13 -11.848   6.281  -0.643
  127   1HN   NH2  14          1HN       NH2  14  -9.348  -0.955  -0.481
  128   2HN   NH2  14          2HN       NH2  14 -10.842  -1.033  -1.282
  Start of MODEL   10
    1   1H    ILE   1          1H        ILE   1   9.547  -3.284  -0.999
    2   2H    ILE   1          2H        ILE   1   9.972  -1.781  -1.668
    3   3H    ILE   1          3H        ILE   1   8.366  -2.331  -1.759
    4    HA   ILE   1           HA       ILE   1   8.538  -2.361   0.836
    5    HB   ILE   1           HB       ILE   1  10.582  -0.291  -0.024
    6   1HG1  ILE   1          2HG1      ILE   1  10.995  -3.037   1.204
    7   2HG1  ILE   1          1HG1      ILE   1  11.423  -2.574  -0.444
    8   1HG2  ILE   1          1HG2      ILE   1  10.288   0.470   2.074
    9   2HG2  ILE   1          2HG2      ILE   1  10.855  -1.087   2.680
   10   3HG2  ILE   1          3HG2      ILE   1   9.132  -0.819   2.413
   11   1HD1  ILE   1          1HD1      ILE   1  12.989  -0.887   0.420
   12   2HD1  ILE   1          2HD1      ILE   1  13.388  -2.480   1.062
   13   3HD1  ILE   1          3HD1      ILE   1  12.545  -1.308   2.074
   14    H    LEU   2           H        LEU   2   9.051   0.323  -1.494
   15    HA   LEU   2           HA       LEU   2   7.103   2.075  -0.315
   16   1HB   LEU   2          2HB       LEU   2   8.362   1.833  -3.062
   17   2HB   LEU   2          1HB       LEU   2   7.341   3.192  -2.590
   18    HG   LEU   2           HG       LEU   2   9.745   2.359  -0.960
   19   1HD1  LEU   2          1HD1      LEU   2  11.162   3.362  -2.402
   20   2HD1  LEU   2          2HD1      LEU   2  10.097   4.756  -2.575
   21   3HD1  LEU   2          3HD1      LEU   2   9.850   3.330  -3.581
   22   1HD2  LEU   2          1HD2      LEU   2   9.037   5.170  -1.023
   23   2HD2  LEU   2          2HD2      LEU   2   9.122   4.080   0.360
   24   3HD2  LEU   2          3HD2      LEU   2   7.636   4.192  -0.583
   25    H    GLY   3           H        GLY   3   6.932  -0.136  -3.124
   26   1HA   GLY   3          2HA       GLY   3   4.235   0.425  -3.834
   27   2HA   GLY   3          1HA       GLY   3   5.074  -1.084  -4.199
   28    H    LYS   4           H        LYS   4   5.614  -1.628  -1.336
   29    HA   LYS   4           HA       LYS   4   3.311  -3.200  -0.717
   30   1HB   LYS   4          2HB       LYS   4   5.662  -2.160   0.884
   31   2HB   LYS   4          1HB       LYS   4   4.499  -3.311   1.541
   32   1HG   LYS   4          2HG       LYS   4   5.516  -4.047  -1.119
   33   2HG   LYS   4          1HG       LYS   4   6.761  -3.999   0.131
   34   1HD   LYS   4          2HD       LYS   4   4.128  -5.394   0.604
   35   2HD   LYS   4          1HD       LYS   4   5.473  -6.221  -0.184
   36   1HE   LYS   4          2HE       LYS   4   6.365  -6.636   1.855
   37   2HE   LYS   4          1HE       LYS   4   6.519  -4.888   2.119
   38   1HZ   LYS   4          1HZ       LYS   4   3.854  -6.073   2.336
   39   2HZ   LYS   4          2HZ       LYS   4   4.530  -4.768   3.187
   40   3HZ   LYS   4          3HZ       LYS   4   4.937  -6.362   3.609
   41    H    ILE   5           H        ILE   5   4.278   0.064   0.240
   42    HA   ILE   5           HA       ILE   5   2.218   0.415   2.249
   43    HB   ILE   5           HB       ILE   5   4.060   2.198   0.652
   44   1HG1  ILE   5          2HG1      ILE   5   3.894   1.731   3.639
   45   2HG1  ILE   5          1HG1      ILE   5   4.850   0.699   2.575
   46   1HG2  ILE   5          1HG2      ILE   5   2.083   3.044   2.793
   47   2HG2  ILE   5          2HG2      ILE   5   1.978   3.457   1.081
   48   3HG2  ILE   5          3HG2      ILE   5   3.308   4.079   2.059
   49   1HD1  ILE   5          1HD1      ILE   5   6.344   2.382   3.408
   50   2HD1  ILE   5          2HD1      ILE   5   5.191   3.668   3.055
   51   3HD1  ILE   5          3HD1      ILE   5   5.987   2.812   1.735
   52    H    TRP   6           H        TRP   6   2.583   1.737  -1.051
   53    HA   TRP   6           HA       TRP   6   0.001   2.902  -1.267
   54   1HB   TRP   6          2HB       TRP   6   1.680   1.620  -3.437
   55   2HB   TRP   6          1HB       TRP   6   0.576   2.987  -3.617
   56    HD1  TRP   6           HD1      TRP   6   4.079   2.386  -3.447
   57    HE1  TRP   6           HE1      TRP   6   5.384   4.383  -2.489
   58    HE3  TRP   6           HE3      TRP   6   0.247   5.022  -1.359
   59    HZ2  TRP   6           HZ2      TRP   6   4.876   6.799  -1.036
   60    HZ3  TRP   6           HZ3      TRP   6   0.679   7.169  -0.194
   61    HH2  TRP   6           HH2      TRP   6   2.988   8.059  -0.030
   62    H    LYS   7           H        LYS   7   1.084  -0.422  -1.660
   63    HA   LYS   7           HA       LYS   7  -1.447  -1.293  -2.896
   64   1HB   LYS   7          2HB       LYS   7   0.690  -2.282  -3.551
   65   2HB   LYS   7          1HB       LYS   7   1.024  -2.732  -1.877
   66   1HG   LYS   7          2HG       LYS   7  -1.383  -3.911  -2.169
   67   2HG   LYS   7          1HG       LYS   7  -0.826  -3.983  -3.841
   68   1HD   LYS   7          2HD       LYS   7   1.064  -5.274  -3.288
   69   2HD   LYS   7          1HD       LYS   7   0.976  -4.837  -1.581
   70   1HE   LYS   7          2HE       LYS   7  -0.558  -6.471  -1.119
   71   2HE   LYS   7          1HE       LYS   7  -1.424  -6.218  -2.647
   72   1HZ   LYS   7          1HZ       LYS   7   1.316  -7.256  -2.746
   73   2HZ   LYS   7          2HZ       LYS   7   0.016  -7.538  -3.803
   74   3HZ   LYS   7          3HZ       LYS   7   0.078  -8.326  -2.298
   75    H    GLY   8           H        GLY   8  -0.076  -0.993   0.287
   76   1HA   GLY   8          2HA       GLY   8  -1.911  -2.939   1.500
   77   2HA   GLY   8          1HA       GLY   8  -0.775  -1.907   2.368
   78    H    ILE   9           H        ILE   9  -1.662   0.562   1.121
   79    HA   ILE   9           HA       ILE   9  -3.887   1.182   2.887
   80    HB   ILE   9           HB       ILE   9  -2.432   2.677   0.685
   81   1HG1  ILE   9          2HG1      ILE   9  -2.154   3.590   3.446
   82   2HG1  ILE   9          1HG1      ILE   9  -1.630   1.917   3.247
   83   1HG2  ILE   9          1HG2      ILE   9  -4.410   3.893   0.817
   84   2HG2  ILE   9          2HG2      ILE   9  -3.467   4.664   2.092
   85   3HG2  ILE   9          3HG2      ILE   9  -4.687   3.457   2.503
   86   1HD1  ILE   9          1HD1      ILE   9   0.282   2.649   2.317
   87   2HD1  ILE   9          2HD1      ILE   9  -0.275   4.318   2.442
   88   3HD1  ILE   9          3HD1      ILE   9  -0.653   3.369   1.006
   89    H    LYS  10           H        LYS  10  -3.529   0.421  -0.531
   90    HA   LYS  10           HA       LYS  10  -6.277   1.240  -1.200
   91   1HB   LYS  10          2HB       LYS  10  -5.611   0.551  -3.425
   92   2HB   LYS  10          1HB       LYS  10  -4.241   1.390  -2.698
   93   1HG   LYS  10          2HG       LYS  10  -3.205  -0.740  -2.099
   94   2HG   LYS  10          1HG       LYS  10  -4.602  -1.620  -2.720
   95   1HD   LYS  10          2HD       LYS  10  -2.913   0.234  -4.419
   96   2HD   LYS  10          1HD       LYS  10  -2.643  -1.507  -4.318
   97   1HE   LYS  10          2HE       LYS  10  -5.356  -0.371  -5.037
   98   2HE   LYS  10          1HE       LYS  10  -4.122  -0.710  -6.267
   99   1HZ   LYS  10          1HZ       LYS  10  -4.225  -2.925  -5.907
  100   2HZ   LYS  10          2HZ       LYS  10  -5.798  -2.565  -5.374
  101   3HZ   LYS  10          3HZ       LYS  10  -4.541  -2.764  -4.248
  102    H    SER  11           H        SER  11  -4.568  -1.685  -0.280
  103    HA   SER  11           HA       SER  11  -6.512  -3.591  -1.228
  104   1HB   SER  11          2HB       SER  11  -4.493  -4.582  -0.731
  105   2HB   SER  11          1HB       SER  11  -4.164  -3.471   0.595
  106    HG   SER  11           HG       SER  11  -4.629  -5.567   1.359
  107    H    LEU  12           H        LEU  12  -6.104  -1.826   1.817
  108    HA   LEU  12           HA       LEU  12  -8.369  -3.206   3.095
  109   1HB   LEU  12          2HB       LEU  12  -6.276  -2.428   4.252
  110   2HB   LEU  12          1HB       LEU  12  -6.772  -0.765   3.936
  111    HG   LEU  12           HG       LEU  12  -7.396  -1.685   6.232
  112   1HD1  LEU  12          1HD1      LEU  12  -8.734   0.033   4.498
  113   2HD1  LEU  12          2HD1      LEU  12  -9.035  -0.130   6.228
  114   3HD1  LEU  12          3HD1      LEU  12 -10.002  -1.049   5.074
  115   1HD2  LEU  12          1HD2      LEU  12  -8.985  -3.369   6.446
  116   2HD2  LEU  12          2HD2      LEU  12  -8.142  -3.913   4.995
  117   3HD2  LEU  12          3HD2      LEU  12  -9.678  -3.058   4.854
  118    H    PHE  13           H        PHE  13  -7.681   0.012   1.715
  119    HA   PHE  13           HA       PHE  13 -10.190   1.222   2.415
  120   1HB   PHE  13          2HB       PHE  13  -8.176   2.456   1.749
  121   2HB   PHE  13          1HB       PHE  13  -8.233   1.720   0.148
  122    HD1  PHE  13           HD1      PHE  13 -10.571   3.522   2.476
  123    HD2  PHE  13           HD2      PHE  13  -9.155   3.013  -1.548
  124    HE1  PHE  13           HE1      PHE  13 -12.112   5.308   1.707
  125    HE2  PHE  13           HE2      PHE  13 -10.696   4.798  -2.315
  126    HZ   PHE  13           HZ       PHE  13 -12.174   5.946  -0.688
  127   1HN   NH2  14          1HN       NH2  14 -11.607  -0.766   1.778
  128   2HN   NH2  14          2HN       NH2  14 -12.136  -0.863   0.168
  Start of MODEL   11
    1   1H    ILE   1          1H        ILE   1  10.739  -0.921   1.837
    2   2H    ILE   1          2H        ILE   1  10.105   0.555   1.283
    3   3H    ILE   1          3H        ILE   1  10.207  -0.776   0.233
    4    HA   ILE   1           HA       ILE   1   8.428  -1.874   1.204
    5    HB   ILE   1           HB       ILE   1   9.605  -1.576   3.439
    6   1HG1  ILE   1          2HG1      ILE   1   6.984  -1.094   4.400
    7   2HG1  ILE   1          1HG1      ILE   1   6.800  -1.905   2.844
    8   1HG2  ILE   1          1HG2      ILE   1   7.815   0.722   4.025
    9   2HG2  ILE   1          2HG2      ILE   1   9.231   1.070   3.033
   10   3HG2  ILE   1          3HG2      ILE   1   9.430   0.368   4.638
   11   1HD1  ILE   1          1HD1      ILE   1   7.460  -3.100   5.311
   12   2HD1  ILE   1          2HD1      ILE   1   8.940  -3.128   4.353
   13   3HD1  ILE   1          3HD1      ILE   1   7.468  -3.866   3.723
   14    H    LEU   2           H        LEU   2   8.856   0.901  -0.159
   15    HA   LEU   2           HA       LEU   2   6.637   2.573   0.632
   16   1HB   LEU   2          2HB       LEU   2   8.054   2.365  -2.044
   17   2HB   LEU   2          1HB       LEU   2   7.227   3.778  -1.389
   18    HG   LEU   2           HG       LEU   2   9.026   3.130   0.615
   19   1HD1  LEU   2          1HD1      LEU   2   9.984   2.098  -1.954
   20   2HD1  LEU   2          2HD1      LEU   2  10.612   1.821  -0.331
   21   3HD1  LEU   2          3HD1      LEU   2  11.097   3.258  -1.229
   22   1HD2  LEU   2          1HD2      LEU   2   8.359   5.348  -0.622
   23   2HD2  LEU   2          2HD2      LEU   2   9.777   5.009  -1.614
   24   3HD2  LEU   2          3HD2      LEU   2   9.952   5.229   0.127
   25    H    GLY   3           H        GLY   3   7.081   0.323  -2.126
   26   1HA   GLY   3          2HA       GLY   3   4.505   0.573  -3.245
   27   2HA   GLY   3          1HA       GLY   3   5.488  -0.888  -3.356
   28    H    LYS   4           H        LYS   4   5.558  -1.101  -0.360
   29    HA   LYS   4           HA       LYS   4   3.268  -2.814  -0.028
   30   1HB   LYS   4          2HB       LYS   4   5.163  -1.564   1.987
   31   2HB   LYS   4          1HB       LYS   4   4.140  -2.972   2.278
   32   1HG   LYS   4          2HG       LYS   4   6.258  -2.829   0.114
   33   2HG   LYS   4          1HG       LYS   4   6.504  -3.572   1.695
   34   1HD   LYS   4          2HD       LYS   4   5.273  -5.411   1.164
   35   2HD   LYS   4          1HD       LYS   4   4.076  -4.471   0.273
   36   1HE   LYS   4          2HE       LYS   4   5.841  -4.196  -1.560
   37   2HE   LYS   4          1HE       LYS   4   6.769  -5.448  -0.711
   38   1HZ   LYS   4          1HZ       LYS   4   5.367  -6.563  -2.246
   39   2HZ   LYS   4          2HZ       LYS   4   4.007  -5.659  -1.777
   40   3HZ   LYS   4          3HZ       LYS   4   4.682  -6.798  -0.713
   41    H    ILE   5           H        ILE   5   3.986   0.514   0.947
   42    HA   ILE   5           HA       ILE   5   1.652   0.870   2.610
   43    HB   ILE   5           HB       ILE   5   3.407   2.821   1.086
   44   1HG1  ILE   5          2HG1      ILE   5   3.529   1.776   3.935
   45   2HG1  ILE   5          1HG1      ILE   5   4.667   1.393   2.642
   46   1HG2  ILE   5          1HG2      ILE   5   1.074   3.163   2.825
   47   2HG2  ILE   5          2HG2      ILE   5   1.871   4.334   1.775
   48   3HG2  ILE   5          3HG2      ILE   5   2.489   4.044   3.401
   49   1HD1  ILE   5          1HD1      ILE   5   5.706   3.429   2.769
   50   2HD1  ILE   5          2HD1      ILE   5   5.075   3.399   4.415
   51   3HD1  ILE   5          3HD1      ILE   5   4.212   4.282   3.156
   52    H    TRP   6           H        TRP   6   2.398   1.943  -0.716
   53    HA   TRP   6           HA       TRP   6  -0.163   3.022  -1.327
   54   1HB   TRP   6          2HB       TRP   6   1.794   1.639  -3.175
   55   2HB   TRP   6          1HB       TRP   6   0.694   2.957  -3.588
   56    HD1  TRP   6           HD1      TRP   6   1.298   4.608  -0.855
   57    HE1  TRP   6           HE1      TRP   6   3.513   5.904  -0.691
   58    HE3  TRP   6           HE3      TRP   6   3.998   2.191  -4.438
   59    HZ2  TRP   6           HZ2      TRP   6   6.096   5.931  -1.929
   60    HZ3  TRP   6           HZ3      TRP   6   6.332   2.869  -4.932
   61    HH2  TRP   6           HH2      TRP   6   7.384   4.733  -3.681
   62    H    LYS   7           H        LYS   7   1.132  -0.266  -1.633
   63    HA   LYS   7           HA       LYS   7  -1.265  -1.311  -2.946
   64   1HB   LYS   7          2HB       LYS   7   1.006  -2.209  -3.311
   65   2HB   LYS   7          1HB       LYS   7   1.116  -2.634  -1.602
   66   1HG   LYS   7          2HG       LYS   7   0.313  -4.653  -2.274
   67   2HG   LYS   7          1HG       LYS   7  -1.247  -3.831  -2.304
   68   1HD   LYS   7          2HD       LYS   7  -1.135  -4.770  -4.450
   69   2HD   LYS   7          1HD       LYS   7  -0.551  -3.128  -4.722
   70   1HE   LYS   7          2HE       LYS   7   1.229  -4.184  -5.709
   71   2HE   LYS   7          1HE       LYS   7   1.776  -4.431  -4.039
   72   1HZ   LYS   7          1HZ       LYS   7   1.436  -6.478  -5.578
   73   2HZ   LYS   7          2HZ       LYS   7  -0.208  -6.263  -5.208
   74   3HZ   LYS   7          3HZ       LYS   7   0.915  -6.548  -3.965
   75    H    GLY   8           H        GLY   8  -0.109  -0.926   0.341
   76   1HA   GLY   8          2HA       GLY   8  -1.999  -2.831   1.491
   77   2HA   GLY   8          1HA       GLY   8  -0.996  -1.694   2.394
   78    H    ILE   9           H        ILE   9  -1.954   0.596   0.747
   79    HA   ILE   9           HA       ILE   9  -4.244   1.322   2.369
   80    HB   ILE   9           HB       ILE   9  -2.771   2.510   0.011
   81   1HG1  ILE   9          2HG1      ILE   9  -1.696   2.445   2.281
   82   2HG1  ILE   9          1HG1      ILE   9  -1.960   4.083   1.681
   83   1HG2  ILE   9          1HG2      ILE   9  -4.099   4.594   0.487
   84   2HG2  ILE   9          2HG2      ILE   9  -5.143   3.630   1.531
   85   3HG2  ILE   9          3HG2      ILE   9  -5.060   3.283  -0.196
   86   1HD1  ILE   9          1HD1      ILE   9  -3.717   2.590   3.650
   87   2HD1  ILE   9          2HD1      ILE   9  -4.081   4.184   2.988
   88   3HD1  ILE   9          3HD1      ILE   9  -2.666   3.957   4.015
   89    H    LYS  10           H        LYS  10  -3.796   0.317  -1.004
   90    HA   LYS  10           HA       LYS  10  -6.535   0.741  -1.821
   91   1HB   LYS  10          2HB       LYS  10  -5.811  -0.413  -3.807
   92   2HB   LYS  10          1HB       LYS  10  -4.425   0.518  -3.235
   93   1HG   LYS  10          2HG       LYS  10  -3.271  -1.423  -3.289
   94   2HG   LYS  10          1HG       LYS  10  -4.199  -1.890  -1.865
   95   1HD   LYS  10          2HD       LYS  10  -4.668  -3.666  -3.292
   96   2HD   LYS  10          1HD       LYS  10  -6.014  -2.584  -3.653
   97   1HE   LYS  10          2HE       LYS  10  -3.589  -2.040  -5.247
   98   2HE   LYS  10          1HE       LYS  10  -4.337  -3.618  -5.563
   99   1HZ   LYS  10          1HZ       LYS  10  -5.608  -2.243  -6.878
  100   2HZ   LYS  10          2HZ       LYS  10  -5.509  -0.930  -5.806
  101   3HZ   LYS  10          3HZ       LYS  10  -6.519  -2.248  -5.448
  102    H    SER  11           H        SER  11  -4.889  -1.810  -0.097
  103    HA   SER  11           HA       SER  11  -6.880  -3.880  -0.612
  104   1HB   SER  11          2HB       SER  11  -4.397  -3.459   0.948
  105   2HB   SER  11          1HB       SER  11  -5.516  -4.634   1.632
  106    HG   SER  11           HG       SER  11  -3.844  -5.187  -0.158
  107    H    LEU  12           H        LEU  12  -6.566  -1.216   1.597
  108    HA   LEU  12           HA       LEU  12  -8.379  -2.292   3.632
  109   1HB   LEU  12          2HB       LEU  12  -6.429  -0.481   3.674
  110   2HB   LEU  12          1HB       LEU  12  -7.751   0.619   3.281
  111    HG   LEU  12           HG       LEU  12  -9.021  -0.336   5.239
  112   1HD1  LEU  12          1HD1      LEU  12  -6.690  -2.081   5.235
  113   2HD1  LEU  12          2HD1      LEU  12  -8.219  -2.266   6.094
  114   3HD1  LEU  12          3HD1      LEU  12  -6.916  -1.312   6.805
  115   1HD2  LEU  12          1HD2      LEU  12  -6.550   1.290   5.342
  116   2HD2  LEU  12          2HD2      LEU  12  -7.084   0.647   6.896
  117   3HD2  LEU  12          3HD2      LEU  12  -8.167   1.662   5.942
  118    H    PHE  13           H        PHE  13  -8.604  -0.030   0.893
  119    HA   PHE  13           HA       PHE  13 -11.430   0.579   1.443
  120   1HB   PHE  13          2HB       PHE  13  -9.453   1.237  -0.758
  121   2HB   PHE  13          1HB       PHE  13 -11.114   1.831  -0.754
  122    HD1  PHE  13           HD1      PHE  13 -11.840   2.773   1.709
  123    HD2  PHE  13           HD2      PHE  13  -7.861   2.698   0.094
  124    HE1  PHE  13           HE1      PHE  13 -11.183   4.605   3.245
  125    HE2  PHE  13           HE2      PHE  13  -7.204   4.531   1.630
  126    HZ   PHE  13           HZ       PHE  13  -8.865   5.485   3.205
  127   1HN   NH2  14          1HN       NH2  14  -9.901  -0.643  -1.592
  128   2HN   NH2  14          2HN       NH2  14 -11.122  -1.770  -1.940
  Start of MODEL   12
    1   1H    ILE   1          1H        ILE   1   9.352  -2.387  -0.521
    2   2H    ILE   1          2H        ILE   1   7.700  -2.373  -0.128
    3   3H    ILE   1          3H        ILE   1   8.801  -3.230   0.843
    4    HA   ILE   1           HA       ILE   1   8.669  -1.379   2.132
    5    HB   ILE   1           HB       ILE   1  10.551  -0.627  -0.130
    6   1HG1  ILE   1          2HG1      ILE   1  12.144  -1.574   1.811
    7   2HG1  ILE   1          1HG1      ILE   1  10.691  -2.498   2.192
    8   1HG2  ILE   1          1HG2      ILE   1   9.752   0.938   2.016
    9   2HG2  ILE   1          2HG2      ILE   1  11.253   1.130   1.112
   10   3HG2  ILE   1          3HG2      ILE   1  11.235   0.185   2.601
   11   1HD1  ILE   1          1HD1      ILE   1  12.571  -3.143   0.241
   12   2HD1  ILE   1          2HD1      ILE   1  11.234  -2.447  -0.675
   13   3HD1  ILE   1          3HD1      ILE   1  10.952  -3.828   0.386
   14    H    LEU   2           H        LEU   2   8.880   0.019  -1.169
   15    HA   LEU   2           HA       LEU   2   7.141   2.256  -0.381
   16   1HB   LEU   2          2HB       LEU   2   8.306   1.443  -3.064
   17   2HB   LEU   2          1HB       LEU   2   7.679   3.035  -2.637
   18    HG   LEU   2           HG       LEU   2   9.665   2.144  -0.713
   19   1HD1  LEU   2          1HD1      LEU   2  10.878   0.978  -2.319
   20   2HD1  LEU   2          2HD1      LEU   2  11.533   2.601  -2.527
   21   3HD1  LEU   2          3HD1      LEU   2  10.306   1.997  -3.641
   22   1HD2  LEU   2          1HD2      LEU   2  10.610   4.382  -2.069
   23   2HD2  LEU   2          2HD2      LEU   2   9.585   4.406  -0.633
   24   3HD2  LEU   2          3HD2      LEU   2   8.859   4.512  -2.237
   25    H    GLY   3           H        GLY   3   6.985  -0.079  -3.102
   26   1HA   GLY   3          2HA       GLY   3   4.263   0.372  -3.730
   27   2HA   GLY   3          1HA       GLY   3   5.133  -1.118  -4.103
   28    H    LYS   4           H        LYS   4   5.750  -1.708  -1.300
   29    HA   LYS   4           HA       LYS   4   3.420  -3.240  -0.616
   30   1HB   LYS   4          2HB       LYS   4   5.914  -2.384   0.877
   31   2HB   LYS   4          1HB       LYS   4   4.753  -3.539   1.531
   32   1HG   LYS   4          2HG       LYS   4   6.106  -3.873  -1.159
   33   2HG   LYS   4          1HG       LYS   4   6.710  -4.598   0.332
   34   1HD   LYS   4          2HD       LYS   4   5.084  -6.186   0.363
   35   2HD   LYS   4          1HD       LYS   4   3.839  -5.054  -0.164
   36   1HE   LYS   4          2HE       LYS   4   5.565  -5.329  -2.378
   37   2HE   LYS   4          1HE       LYS   4   5.316  -6.973  -1.754
   38   1HZ   LYS   4          1HZ       LYS   4   2.954  -6.599  -1.706
   39   2HZ   LYS   4          2HZ       LYS   4   3.525  -6.263  -3.270
   40   3HZ   LYS   4          3HZ       LYS   4   3.148  -4.991  -2.209
   41    H    ILE   5           H        ILE   5   4.575  -0.050   0.358
   42    HA   ILE   5           HA       ILE   5   2.708   0.284   2.556
   43    HB   ILE   5           HB       ILE   5   4.474   2.084   0.892
   44   1HG1  ILE   5          2HG1      ILE   5   5.442   0.469   2.587
   45   2HG1  ILE   5          1HG1      ILE   5   5.820   2.164   2.897
   46   1HG2  ILE   5          1HG2      ILE   5   2.464   3.352   1.627
   47   2HG2  ILE   5          2HG2      ILE   5   3.930   3.908   2.435
   48   3HG2  ILE   5          3HG2      ILE   5   2.791   2.870   3.291
   49   1HD1  ILE   5          1HD1      ILE   5   4.724   2.133   4.867
   50   2HD1  ILE   5          2HD1      ILE   5   4.627   0.381   4.691
   51   3HD1  ILE   5          3HD1      ILE   5   3.300   1.398   4.132
   52    H    TRP   6           H        TRP   6   2.852   1.688  -0.728
   53    HA   TRP   6           HA       TRP   6   0.360   3.032  -0.693
   54   1HB   TRP   6          2HB       TRP   6   1.703   1.616  -3.010
   55   2HB   TRP   6          1HB       TRP   6   0.686   3.058  -3.096
   56    HD1  TRP   6           HD1      TRP   6   4.139   2.200  -3.262
   57    HE1  TRP   6           HE1      TRP   6   5.673   4.109  -2.475
   58    HE3  TRP   6           HE3      TRP   6   0.732   5.135  -0.862
   59    HZ2  TRP   6           HZ2      TRP   6   5.484   6.574  -1.028
   60    HZ3  TRP   6           HZ3      TRP   6   1.428   7.259   0.211
   61    HH2  TRP   6           HH2      TRP   6   3.800   7.981   0.133
   62    H    LYS   7           H        LYS   7   1.122  -0.368  -1.105
   63    HA   LYS   7           HA       LYS   7  -1.448  -1.140  -2.233
   64   1HB   LYS   7          2HB       LYS   7   0.684  -2.386  -2.507
   65   2HB   LYS   7          1HB       LYS   7   0.697  -2.720  -0.775
   66   1HG   LYS   7          2HG       LYS   7  -1.354  -3.998  -0.943
   67   2HG   LYS   7          1HG       LYS   7  -1.550  -3.539  -2.635
   68   1HD   LYS   7          2HD       LYS   7   0.851  -5.068  -1.601
   69   2HD   LYS   7          1HD       LYS   7  -0.580  -5.853  -2.270
   70   1HE   LYS   7          2HE       LYS   7   0.700  -3.671  -3.880
   71   2HE   LYS   7          1HE       LYS   7   1.475  -5.267  -3.850
   72   1HZ   LYS   7          1HZ       LYS   7  -1.407  -4.790  -4.398
   73   2HZ   LYS   7          2HZ       LYS   7  -0.608  -6.289  -4.441
   74   3HZ   LYS   7          3HZ       LYS   7  -0.240  -5.093  -5.591
   75    H    GLY   8           H        GLY   8  -0.180  -0.645   0.996
   76   1HA   GLY   8          2HA       GLY   8  -2.169  -2.188   2.405
   77   2HA   GLY   8          1HA       GLY   8  -1.168  -0.918   3.113
   78    H    ILE   9           H        ILE   9  -2.056   1.088   1.135
   79    HA   ILE   9           HA       ILE   9  -4.410   2.041   2.544
   80    HB   ILE   9           HB       ILE   9  -2.813   2.913   0.129
   81   1HG1  ILE   9          2HG1      ILE   9  -1.752   3.141   2.349
   82   2HG1  ILE   9          1HG1      ILE   9  -2.123   4.725   1.666
   83   1HG2  ILE   9          1HG2      ILE   9  -5.141   3.645  -0.186
   84   2HG2  ILE   9          2HG2      ILE   9  -4.112   5.022   0.208
   85   3HG2  ILE   9          3HG2      ILE   9  -5.158   4.322   1.441
   86   1HD1  ILE   9          1HD1      ILE   9  -3.185   5.148   3.618
   87   2HD1  ILE   9          2HD1      ILE   9  -3.182   3.446   4.079
   88   3HD1  ILE   9          3HD1      ILE   9  -4.449   4.071   3.024
   89    H    LYS  10           H        LYS  10  -3.804   0.753  -0.718
   90    HA   LYS  10           HA       LYS  10  -6.570   0.984  -1.577
   91   1HB   LYS  10          2HB       LYS  10  -5.735  -0.203  -3.528
   92   2HB   LYS  10          1HB       LYS  10  -4.500   0.949  -3.020
   93   1HG   LYS  10          2HG       LYS  10  -3.323  -0.846  -1.802
   94   2HG   LYS  10          1HG       LYS  10  -4.556  -2.000  -2.312
   95   1HD   LYS  10          2HD       LYS  10  -2.596  -0.499  -4.064
   96   2HD   LYS  10          1HD       LYS  10  -2.726  -2.245  -3.843
   97   1HE   LYS  10          2HE       LYS  10  -3.955  -2.115  -5.785
   98   2HE   LYS  10          1HE       LYS  10  -5.263  -1.650  -4.680
   99   1HZ   LYS  10          1HZ       LYS  10  -4.243   0.680  -4.870
  100   2HZ   LYS  10          2HZ       LYS  10  -5.182   0.113  -6.170
  101   3HZ   LYS  10          3HZ       LYS  10  -3.485   0.093  -6.269
  102    H    SER  11           H        SER  11  -4.627  -1.501  -0.010
  103    HA   SER  11           HA       SER  11  -6.546  -3.657  -0.403
  104   1HB   SER  11          2HB       SER  11  -4.099  -3.157   1.294
  105   2HB   SER  11          1HB       SER  11  -5.038  -4.637   1.474
  106    HG   SER  11           HG       SER  11  -4.773  -4.860  -0.861
  107    H    LEU  12           H        LEU  12  -6.180  -1.040   1.860
  108    HA   LEU  12           HA       LEU  12  -7.790  -2.254   3.986
  109   1HB   LEU  12          2HB       LEU  12  -5.917  -0.469   4.105
  110   2HB   LEU  12          1HB       LEU  12  -7.151   0.672   3.570
  111    HG   LEU  12           HG       LEU  12  -6.893   0.536   6.075
  112   1HD1  LEU  12          1HD1      LEU  12  -9.180   0.736   4.517
  113   2HD1  LEU  12          2HD1      LEU  12  -9.072   1.120   6.234
  114   3HD1  LEU  12          3HD1      LEU  12  -9.618  -0.476   5.721
  115   1HD2  LEU  12          1HD2      LEU  12  -7.486  -1.419   7.254
  116   2HD2  LEU  12          2HD2      LEU  12  -6.538  -2.037   5.902
  117   3HD2  LEU  12          3HD2      LEU  12  -8.298  -2.124   5.857
  118    H    PHE  13           H        PHE  13  -8.376  -0.415   1.086
  119    HA   PHE  13           HA       PHE  13 -10.706   1.003   1.487
  120   1HB   PHE  13          2HB       PHE  13  -9.381  -0.426  -0.654
  121   2HB   PHE  13          1HB       PHE  13 -11.131  -0.546  -0.839
  122    HD1  PHE  13           HD1      PHE  13 -12.210   1.914   0.131
  123    HD2  PHE  13           HD2      PHE  13  -8.547   1.272  -2.018
  124    HE1  PHE  13           HE1      PHE  13 -12.285   4.252  -0.693
  125    HE2  PHE  13           HE2      PHE  13  -8.621   3.611  -2.842
  126    HZ   PHE  13           HZ       PHE  13 -10.490   5.100  -2.180
  127   1HN   NH2  14          1HN       NH2  14 -13.043   0.385   1.343
  128   2HN   NH2  14          2HN       NH2  14 -13.552  -1.154   1.844
  Start of MODEL   13
    1   1H    ILE   1          1H        ILE   1   8.972  -1.807  -0.217
    2   2H    ILE   1          2H        ILE   1   7.313  -1.554  -0.484
    3   3H    ILE   1          3H        ILE   1   7.841  -2.305   0.945
    4    HA   ILE   1           HA       ILE   1   7.620  -0.251   1.833
    5    HB   ILE   1           HB       ILE   1  10.191  -0.108   0.224
    6   1HG1  ILE   1          2HG1      ILE   1  10.041  -2.085   1.671
    7   2HG1  ILE   1          1HG1      ILE   1  11.196  -0.936   2.347
    8   1HG2  ILE   1          1HG2      ILE   1  10.744   1.317   2.412
    9   2HG2  ILE   1          2HG2      ILE   1   9.009   1.626   2.353
   10   3HG2  ILE   1          3HG2      ILE   1  10.030   2.068   0.985
   11   1HD1  ILE   1          1HD1      ILE   1   8.368  -1.488   3.254
   12   2HD1  ILE   1          2HD1      ILE   1   9.230  -0.024   3.728
   13   3HD1  ILE   1          3HD1      ILE   1   9.857  -1.605   4.192
   14    H    LEU   2           H        LEU   2   9.093   0.583  -1.328
   15    HA   LEU   2           HA       LEU   2   7.467   3.012  -1.525
   16   1HB   LEU   2          2HB       LEU   2   9.292   1.638  -3.525
   17   2HB   LEU   2          1HB       LEU   2   8.782   3.326  -3.562
   18    HG   LEU   2           HG       LEU   2  10.157   2.263  -1.115
   19   1HD1  LEU   2          1HD1      LEU   2  11.449   3.034  -3.740
   20   2HD1  LEU   2          2HD1      LEU   2  11.693   1.558  -2.806
   21   3HD1  LEU   2          3HD1      LEU   2  12.315   3.095  -2.205
   22   1HD2  LEU   2          1HD2      LEU   2   9.115   4.542  -1.201
   23   2HD2  LEU   2          2HD2      LEU   2  10.212   4.954  -2.519
   24   3HD2  LEU   2          3HD2      LEU   2  10.855   4.592  -0.917
   25    H    GLY   3           H        GLY   3   6.606  -0.110  -1.919
   26   1HA   GLY   3          2HA       GLY   3   4.555   0.596  -3.946
   27   2HA   GLY   3          1HA       GLY   3   5.545  -0.835  -4.241
   28    H    LYS   4           H        LYS   4   5.743  -1.740  -1.544
   29    HA   LYS   4           HA       LYS   4   3.218  -3.151  -1.299
   30   1HB   LYS   4          2HB       LYS   4   5.761  -2.921   0.323
   31   2HB   LYS   4          1HB       LYS   4   4.422  -3.949   0.834
   32   1HG   LYS   4          2HG       LYS   4   4.518  -5.051  -1.440
   33   2HG   LYS   4          1HG       LYS   4   6.006  -4.152  -1.739
   34   1HD   LYS   4          2HD       LYS   4   5.764  -5.743   0.790
   35   2HD   LYS   4          1HD       LYS   4   6.112  -6.588  -0.719
   36   1HE   LYS   4          2HE       LYS   4   8.021  -4.969  -1.096
   37   2HE   LYS   4          1HE       LYS   4   7.740  -4.361   0.548
   38   1HZ   LYS   4          1HZ       LYS   4   9.338  -6.128   0.660
   39   2HZ   LYS   4          2HZ       LYS   4   8.335  -7.165  -0.237
   40   3HZ   LYS   4          3HZ       LYS   4   7.884  -6.688   1.330
   41    H    ILE   5           H        ILE   5   4.604  -0.273   0.152
   42    HA   ILE   5           HA       ILE   5   2.878  -0.121   2.457
   43    HB   ILE   5           HB       ILE   5   4.511   1.843   0.839
   44   1HG1  ILE   5          2HG1      ILE   5   4.838   0.552   3.566
   45   2HG1  ILE   5          1HG1      ILE   5   5.791   0.210   2.122
   46   1HG2  ILE   5          1HG2      ILE   5   2.664   3.088   1.854
   47   2HG2  ILE   5          2HG2      ILE   5   4.160   3.436   2.721
   48   3HG2  ILE   5          3HG2      ILE   5   2.978   2.324   3.412
   49   1HD1  ILE   5          1HD1      ILE   5   6.698   2.460   2.119
   50   2HD1  ILE   5          2HD1      ILE   5   6.936   1.768   3.723
   51   3HD1  ILE   5          3HD1      ILE   5   5.639   2.931   3.448
   52    H    TRP   6           H        TRP   6   2.779   1.542  -0.700
   53    HA   TRP   6           HA       TRP   6   0.323   2.917  -0.349
   54   1HB   TRP   6          2HB       TRP   6   1.444   1.693  -2.882
   55   2HB   TRP   6          1HB       TRP   6   0.468   3.159  -2.753
   56    HD1  TRP   6           HD1      TRP   6   3.873   2.228  -3.269
   57    HE1  TRP   6           HE1      TRP   6   5.523   4.028  -2.459
   58    HE3  TRP   6           HE3      TRP   6   0.755   5.040  -0.380
   59    HZ2  TRP   6           HZ2      TRP   6   5.523   6.371  -0.810
   60    HZ3  TRP   6           HZ3      TRP   6   1.598   7.052   0.800
   61    HH2  TRP   6           HH2      TRP   6   3.977   7.719   0.590
   62    H    LYS   7           H        LYS   7   0.986  -0.451  -1.032
   63    HA   LYS   7           HA       LYS   7  -1.561  -1.173  -2.162
   64   1HB   LYS   7          2HB       LYS   7   0.770  -2.377  -2.007
   65   2HB   LYS   7          1HB       LYS   7   0.143  -2.990  -0.476
   66   1HG   LYS   7          2HG       LYS   7  -1.774  -3.183  -2.698
   67   2HG   LYS   7          1HG       LYS   7  -0.315  -4.146  -2.933
   68   1HD   LYS   7          2HD       LYS   7  -0.704  -5.446  -1.033
   69   2HD   LYS   7          1HD       LYS   7  -1.723  -4.218  -0.280
   70   1HE   LYS   7          2HE       LYS   7  -3.605  -4.961  -1.343
   71   2HE   LYS   7          1HE       LYS   7  -2.739  -5.259  -2.863
   72   1HZ   LYS   7          1HZ       LYS   7  -3.511  -7.252  -1.378
   73   2HZ   LYS   7          2HZ       LYS   7  -2.090  -6.898  -0.518
   74   3HZ   LYS   7          3HZ       LYS   7  -2.010  -7.298  -2.167
   75    H    GLY   8           H        GLY   8  -0.307  -1.154   1.165
   76   1HA   GLY   8          2HA       GLY   8  -2.477  -2.395   2.469
   77   2HA   GLY   8          1HA       GLY   8  -1.451  -1.170   3.216
   78    H    ILE   9           H        ILE   9  -2.225   0.805   1.079
   79    HA   ILE   9           HA       ILE   9  -4.535   1.922   2.452
   80    HB   ILE   9           HB       ILE   9  -2.881   2.637   0.025
   81   1HG1  ILE   9          2HG1      ILE   9  -1.923   2.856   2.348
   82   2HG1  ILE   9          1HG1      ILE   9  -2.019   4.383   1.470
   83   1HG2  ILE   9          1HG2      ILE   9  -4.821   3.719  -0.608
   84   2HG2  ILE   9          2HG2      ILE   9  -4.174   4.928   0.502
   85   3HG2  ILE   9          3HG2      ILE   9  -5.430   3.815   1.044
   86   1HD1  ILE   9          1HD1      ILE   9  -2.863   4.797   3.685
   87   2HD1  ILE   9          2HD1      ILE   9  -3.906   3.376   3.613
   88   3HD1  ILE   9          3HD1      ILE   9  -4.253   4.777   2.599
   89    H    LYS  10           H        LYS  10  -3.995   0.791  -0.894
   90    HA   LYS  10           HA       LYS  10  -6.810   0.955  -1.599
   91   1HB   LYS  10          2HB       LYS  10  -5.994  -0.124  -3.671
   92   2HB   LYS  10          1HB       LYS  10  -4.929   1.198  -3.189
   93   1HG   LYS  10          2HG       LYS  10  -3.270  -0.272  -2.380
   94   2HG   LYS  10          1HG       LYS  10  -4.391  -1.632  -2.297
   95   1HD   LYS  10          2HD       LYS  10  -3.507  -2.233  -4.299
   96   2HD   LYS  10          1HD       LYS  10  -4.519  -0.948  -4.959
   97   1HE   LYS  10          2HE       LYS  10  -2.682   0.652  -4.797
   98   2HE   LYS  10          1HE       LYS  10  -1.661  -0.561  -4.001
   99   1HZ   LYS  10          1HZ       LYS  10  -1.095  -0.762  -6.236
  100   2HZ   LYS  10          2HZ       LYS  10  -2.695  -0.554  -6.769
  101   3HZ   LYS  10          3HZ       LYS  10  -2.229  -2.004  -6.016
  102    H    SER  11           H        SER  11  -4.791  -1.454  -0.097
  103    HA   SER  11           HA       SER  11  -6.416  -3.766  -0.773
  104   1HB   SER  11          2HB       SER  11  -3.943  -3.523   0.036
  105   2HB   SER  11          1HB       SER  11  -4.646  -3.480   1.651
  106    HG   SER  11           HG       SER  11  -5.746  -5.468   1.018
  107    H    LEU  12           H        LEU  12  -6.560  -1.267   1.671
  108    HA   LEU  12           HA       LEU  12  -8.378  -2.771   3.430
  109   1HB   LEU  12          2HB       LEU  12  -6.571  -0.863   3.872
  110   2HB   LEU  12          1HB       LEU  12  -7.949   0.192   3.555
  111    HG   LEU  12           HG       LEU  12  -8.566  -2.061   5.345
  112   1HD1  LEU  12          1HD1      LEU  12  -7.286  -1.412   7.205
  113   2HD1  LEU  12          2HD1      LEU  12  -6.902   0.162   6.510
  114   3HD1  LEU  12          3HD1      LEU  12  -6.128  -1.292   5.880
  115   1HD2  LEU  12          1HD2      LEU  12  -9.148   0.842   5.019
  116   2HD2  LEU  12          2HD2      LEU  12  -9.263   0.193   6.655
  117   3HD2  LEU  12          3HD2      LEU  12 -10.248  -0.493   5.363
  118    H    PHE  13           H        PHE  13  -8.591  -0.262   0.938
  119    HA   PHE  13           HA       PHE  13 -11.224   0.664   1.323
  120   1HB   PHE  13          2HB       PHE  13  -9.181   0.589  -0.723
  121   2HB   PHE  13          1HB       PHE  13 -10.771   0.377  -1.456
  122    HD1  PHE  13           HD1      PHE  13 -12.410   2.146  -1.444
  123    HD2  PHE  13           HD2      PHE  13  -8.684   2.604   0.643
  124    HE1  PHE  13           HE1      PHE  13 -12.865   4.568  -1.164
  125    HE2  PHE  13           HE2      PHE  13  -9.139   5.026   0.924
  126    HZ   PHE  13           HZ       PHE  13 -11.230   6.007   0.020
  127   1HN   NH2  14          1HN       NH2  14 -10.129  -2.349  -0.293
  128   2HN   NH2  14          2HN       NH2  14 -11.677  -3.025  -0.453
  Start of MODEL   14
    1   1H    ILE   1          1H        ILE   1   8.294  -2.694  -0.631
    2   2H    ILE   1          2H        ILE   1   8.112  -2.696   1.057
    3   3H    ILE   1          3H        ILE   1   9.570  -3.217   0.357
    4    HA   ILE   1           HA       ILE   1   9.831  -0.986   1.263
    5    HB   ILE   1           HB       ILE   1  10.724  -0.061  -0.853
    6   1HG1  ILE   1          2HG1      ILE   1   9.246  -2.330  -2.215
    7   2HG1  ILE   1          1HG1      ILE   1   8.640  -0.673  -2.174
    8   1HG2  ILE   1          1HG2      ILE   1  11.233  -2.884  -1.407
    9   2HG2  ILE   1          2HG2      ILE   1  11.349  -2.509   0.313
   10   3HG2  ILE   1          3HG2      ILE   1  12.345  -1.634  -0.850
   11   1HD1  ILE   1          1HD1      ILE   1   9.834  -0.863  -4.231
   12   2HD1  ILE   1          2HD1      ILE   1  11.185  -1.688  -3.454
   13   3HD1  ILE   1          3HD1      ILE   1  10.903   0.025  -3.144
   14    H    LEU   2           H        LEU   2   9.198   0.990  -1.075
   15    HA   LEU   2           HA       LEU   2   6.993   2.326   0.163
   16   1HB   LEU   2          2HB       LEU   2   8.314   2.485  -2.562
   17   2HB   LEU   2          1HB       LEU   2   7.108   3.647  -2.008
   18    HG   LEU   2           HG       LEU   2   9.452   3.053  -0.241
   19   1HD1  LEU   2          1HD1      LEU   2  10.943   3.818  -1.744
   20   2HD1  LEU   2          2HD1      LEU   2  10.071   5.351  -1.778
   21   3HD1  LEU   2          3HD1      LEU   2   9.661   4.078  -2.927
   22   1HD2  LEU   2          1HD2      LEU   2   7.340   4.572   0.196
   23   2HD2  LEU   2          2HD2      LEU   2   8.216   5.732  -0.802
   24   3HD2  LEU   2          3HD2      LEU   2   8.938   5.131   0.691
   25    H    GLY   3           H        GLY   3   7.186   0.366  -2.821
   26   1HA   GLY   3          2HA       GLY   3   4.527   0.583  -3.684
   27   2HA   GLY   3          1HA       GLY   3   5.509  -0.863  -3.922
   28    H    LYS   4           H        LYS   4   5.886  -1.565  -1.195
   29    HA   LYS   4           HA       LYS   4   3.566  -3.114  -0.657
   30   1HB   LYS   4          2HB       LYS   4   5.969  -2.179   0.902
   31   2HB   LYS   4          1HB       LYS   4   4.723  -3.147   1.692
   32   1HG   LYS   4          2HG       LYS   4   6.024  -3.988  -0.905
   33   2HG   LYS   4          1HG       LYS   4   6.666  -4.455   0.671
   34   1HD   LYS   4          2HD       LYS   4   4.764  -5.731   1.209
   35   2HD   LYS   4          1HD       LYS   4   3.765  -4.921   0.000
   36   1HE   LYS   4          2HE       LYS   4   5.021  -6.000  -1.811
   37   2HE   LYS   4          1HE       LYS   4   6.097  -6.769  -0.627
   38   1HZ   LYS   4          1HZ       LYS   4   4.406  -8.072   0.206
   39   2HZ   LYS   4          2HZ       LYS   4   4.016  -8.047  -1.447
   40   3HZ   LYS   4          3HZ       LYS   4   3.178  -7.047  -0.358
   41    H    ILE   5           H        ILE   5   4.464   0.146   0.338
   42    HA   ILE   5           HA       ILE   5   2.412   0.438   2.367
   43    HB   ILE   5           HB       ILE   5   4.160   2.307   0.755
   44   1HG1  ILE   5          2HG1      ILE   5   4.181   1.818   3.732
   45   2HG1  ILE   5          1HG1      ILE   5   5.016   0.721   2.631
   46   1HG2  ILE   5          1HG2      ILE   5   3.139   3.614   3.060
   47   2HG2  ILE   5          2HG2      ILE   5   1.755   2.936   2.202
   48   3HG2  ILE   5          3HG2      ILE   5   2.857   4.035   1.370
   49   1HD1  ILE   5          1HD1      ILE   5   6.225   2.878   3.671
   50   2HD1  ILE   5          2HD1      ILE   5   5.492   3.641   2.260
   51   3HD1  ILE   5          3HD1      ILE   5   6.602   2.285   2.054
   52    H    TRP   6           H        TRP   6   2.717   1.751  -0.945
   53    HA   TRP   6           HA       TRP   6   0.126   2.898  -1.129
   54   1HB   TRP   6          2HB       TRP   6   1.779   1.610  -3.311
   55   2HB   TRP   6          1HB       TRP   6   0.661   2.964  -3.490
   56    HD1  TRP   6           HD1      TRP   6   4.167   2.401  -3.376
   57    HE1  TRP   6           HE1      TRP   6   5.470   4.416  -2.455
   58    HE3  TRP   6           HE3      TRP   6   0.349   5.014  -1.231
   59    HZ2  TRP   6           HZ2      TRP   6   4.966   6.835  -1.007
   60    HZ3  TRP   6           HZ3      TRP   6   0.784   7.170  -0.089
   61    HH2  TRP   6           HH2      TRP   6   3.087   8.083   0.027
   62    H    LYS   7           H        LYS   7   1.248  -0.407  -1.677
   63    HA   LYS   7           HA       LYS   7  -1.225  -1.348  -2.887
   64   1HB   LYS   7          2HB       LYS   7   1.267  -2.228  -2.901
   65   2HB   LYS   7          1HB       LYS   7   0.753  -3.093  -1.451
   66   1HG   LYS   7          2HG       LYS   7  -1.282  -3.366  -3.456
   67   2HG   LYS   7          1HG       LYS   7   0.273  -3.810  -4.160
   68   1HD   LYS   7          2HD       LYS   7   0.695  -5.352  -2.289
   69   2HD   LYS   7          1HD       LYS   7  -0.845  -4.896  -1.558
   70   1HE   LYS   7          2HE       LYS   7  -2.000  -5.691  -3.659
   71   2HE   LYS   7          1HE       LYS   7  -0.434  -6.326  -4.204
   72   1HZ   LYS   7          1HZ       LYS   7  -1.596  -6.945  -1.547
   73   2HZ   LYS   7          2HZ       LYS   7  -0.267  -7.690  -2.298
   74   3HZ   LYS   7          3HZ       LYS   7  -1.836  -7.934  -2.903
   75    H    GLY   8           H        GLY   8  -0.129  -0.831   0.374
   76   1HA   GLY   8          2HA       GLY   8  -2.052  -2.686   1.577
   77   2HA   GLY   8          1HA       GLY   8  -1.026  -1.547   2.450
   78    H    ILE   9           H        ILE   9  -1.912   0.722   0.745
   79    HA   ILE   9           HA       ILE   9  -4.196   1.543   2.329
   80    HB   ILE   9           HB       ILE   9  -2.927   2.710  -0.168
   81   1HG1  ILE   9          2HG1      ILE   9  -2.364   3.135   2.784
   82   2HG1  ILE   9          1HG1      ILE   9  -1.276   2.404   1.604
   83   1HG2  ILE   9          1HG2      ILE   9  -5.280   3.487   0.762
   84   2HG2  ILE   9          2HG2      ILE   9  -4.082   4.680   0.261
   85   3HG2  ILE   9          3HG2      ILE   9  -4.292   4.305   1.971
   86   1HD1  ILE   9          1HD1      ILE   9  -0.460   4.465   1.197
   87   2HD1  ILE   9          2HD1      ILE   9  -1.715   5.211   2.186
   88   3HD1  ILE   9          3HD1      ILE   9  -2.020   4.872   0.484
   89    H    LYS  10           H        LYS  10  -3.762   0.327  -0.965
   90    HA   LYS  10           HA       LYS  10  -6.507   0.855  -1.792
   91   1HB   LYS  10          2HB       LYS  10  -5.801  -0.319  -3.790
   92   2HB   LYS  10          1HB       LYS  10  -4.442   0.666  -3.246
   93   1HG   LYS  10          2HG       LYS  10  -3.230  -1.242  -3.328
   94   2HG   LYS  10          1HG       LYS  10  -4.086  -1.703  -1.857
   95   1HD   LYS  10          2HD       LYS  10  -5.753  -2.904  -3.105
   96   2HD   LYS  10          1HD       LYS  10  -5.152  -2.261  -4.634
   97   1HE   LYS  10          2HE       LYS  10  -3.214  -3.766  -2.917
   98   2HE   LYS  10          1HE       LYS  10  -4.432  -4.696  -3.813
   99   1HZ   LYS  10          1HZ       LYS  10  -2.722  -4.413  -5.350
  100   2HZ   LYS  10          2HZ       LYS  10  -2.411  -2.815  -4.868
  101   3HZ   LYS  10          3HZ       LYS  10  -3.813  -3.180  -5.755
  102    H    SER  11           H        SER  11  -4.851  -1.747  -0.139
  103    HA   SER  11           HA       SER  11  -6.854  -3.795  -0.677
  104   1HB   SER  11          2HB       SER  11  -4.359  -3.413   0.856
  105   2HB   SER  11          1HB       SER  11  -5.481  -4.565   1.572
  106    HG   SER  11           HG       SER  11  -3.880  -5.250  -0.166
  107    H    LEU  12           H        LEU  12  -6.475  -1.225   1.665
  108    HA   LEU  12           HA       LEU  12  -8.403  -2.357   3.575
  109   1HB   LEU  12          2HB       LEU  12  -6.407  -0.918   4.131
  110   2HB   LEU  12          1HB       LEU  12  -7.228   0.430   3.343
  111    HG   LEU  12           HG       LEU  12  -7.520   0.292   5.872
  112   1HD1  LEU  12          1HD1      LEU  12  -9.421   1.470   5.550
  113   2HD1  LEU  12          2HD1      LEU  12 -10.269   0.061   4.914
  114   3HD1  LEU  12          3HD1      LEU  12  -9.275   1.049   3.844
  115   1HD2  LEU  12          1HD2      LEU  12  -9.487  -1.905   5.218
  116   2HD2  LEU  12          2HD2      LEU  12  -8.903  -1.393   6.801
  117   3HD2  LEU  12          3HD2      LEU  12  -7.833  -2.273   5.709
  118    H    PHE  13           H        PHE  13  -8.430  -0.165   0.835
  119    HA   PHE  13           HA       PHE  13 -11.050   0.988   1.445
  120   1HB   PHE  13          2HB       PHE  13  -9.092   1.001  -0.849
  121   2HB   PHE  13          1HB       PHE  13 -10.687   1.732  -1.029
  122    HD1  PHE  13           HD1      PHE  13 -11.201   2.866   1.620
  123    HD2  PHE  13           HD2      PHE  13  -7.567   2.780  -0.670
  124    HE1  PHE  13           HE1      PHE  13 -10.406   4.897   2.804
  125    HE2  PHE  13           HE2      PHE  13  -6.772   4.809   0.514
  126    HZ   PHE  13           HZ       PHE  13  -8.193   5.869   2.251
  127   1HN   NH2  14          1HN       NH2  14 -12.910   0.662  -0.206
  128   2HN   NH2  14          2HN       NH2  14 -13.148  -0.899  -0.828
  Start of MODEL   15
    1   1H    ILE   1          1H        ILE   1   8.307  -1.238   1.744
    2   2H    ILE   1          2H        ILE   1   9.918  -1.697   1.466
    3   3H    ILE   1          3H        ILE   1   8.677  -2.309   0.482
    4    HA   ILE   1           HA       ILE   1  10.038   0.258   0.361
    5    HB   ILE   1           HB       ILE   1  10.158  -1.711  -1.227
    6   1HG1  ILE   1          2HG1      ILE   1   8.945   0.686  -2.606
    7   2HG1  ILE   1          1HG1      ILE   1  10.518   0.796  -1.812
    8   1HG2  ILE   1          1HG2      ILE   1   7.465  -1.831  -0.914
    9   2HG2  ILE   1          2HG2      ILE   1   8.305  -2.502  -2.312
   10   3HG2  ILE   1          3HG2      ILE   1   7.558  -0.908  -2.414
   11   1HD1  ILE   1          1HD1      ILE   1   9.713  -0.902  -4.167
   12   2HD1  ILE   1          2HD1      ILE   1  11.102  -1.342  -3.174
   13   3HD1  ILE   1          3HD1      ILE   1  11.078   0.205  -4.020
   14    H    LEU   2           H        LEU   2   8.730   1.865  -1.150
   15    HA   LEU   2           HA       LEU   2   6.471   2.840   0.326
   16   1HB   LEU   2          2HB       LEU   2   7.266   3.418  -2.545
   17   2HB   LEU   2          1HB       LEU   2   6.409   4.494  -1.441
   18    HG   LEU   2           HG       LEU   2   8.902   3.575  -0.269
   19   1HD1  LEU   2          1HD1      LEU   2  10.482   4.266  -1.807
   20   2HD1  LEU   2          2HD1      LEU   2   9.376   5.393  -2.593
   21   3HD1  LEU   2          3HD1      LEU   2   9.250   3.664  -2.915
   22   1HD2  LEU   2          1HD2      LEU   2   8.208   6.386  -1.112
   23   2HD2  LEU   2          2HD2      LEU   2   9.098   5.851   0.314
   24   3HD2  LEU   2          3HD2      LEU   2   7.354   5.612   0.223
   25    H    GLY   3           H        GLY   3   6.706   1.127  -2.807
   26   1HA   GLY   3          2HA       GLY   3   3.969   1.102  -3.477
   27   2HA   GLY   3          1HA       GLY   3   5.106  -0.166  -3.942
   28    H    LYS   4           H        LYS   4   5.794  -1.039  -1.310
   29    HA   LYS   4           HA       LYS   4   3.776  -2.968  -0.790
   30   1HB   LYS   4          2HB       LYS   4   6.088  -1.793   0.753
   31   2HB   LYS   4          1HB       LYS   4   5.078  -3.053   1.462
   32   1HG   LYS   4          2HG       LYS   4   6.289  -3.380  -1.282
   33   2HG   LYS   4          1HG       LYS   4   7.188  -3.807   0.173
   34   1HD   LYS   4          2HD       LYS   4   4.979  -5.112   0.790
   35   2HD   LYS   4          1HD       LYS   4   4.704  -5.056  -0.952
   36   1HE   LYS   4          2HE       LYS   4   7.432  -5.875  -0.054
   37   2HE   LYS   4          1HE       LYS   4   6.116  -7.044   0.174
   38   1HZ   LYS   4          1HZ       LYS   4   5.449  -6.643  -2.139
   39   2HZ   LYS   4          2HZ       LYS   4   7.022  -7.278  -2.038
   40   3HZ   LYS   4          3HZ       LYS   4   6.788  -5.623  -2.348
   41    H    ILE   5           H        ILE   5   4.228   0.305   0.433
   42    HA   ILE   5           HA       ILE   5   2.289   0.103   2.585
   43    HB   ILE   5           HB       ILE   5   3.660   2.338   1.081
   44   1HG1  ILE   5          2HG1      ILE   5   3.923   1.833   4.013
   45   2HG1  ILE   5          1HG1      ILE   5   4.678   0.672   2.919
   46   1HG2  ILE   5          1HG2      ILE   5   1.372   3.030   1.890
   47   2HG2  ILE   5          2HG2      ILE   5   2.698   3.925   2.633
   48   3HG2  ILE   5          3HG2      ILE   5   1.895   2.635   3.528
   49   1HD1  ILE   5          1HD1      ILE   5   5.790   3.081   3.728
   50   2HD1  ILE   5          2HD1      ILE   5   5.160   3.448   2.123
   51   3HD1  ILE   5          3HD1      ILE   5   6.308   2.127   2.338
   52    H    TRP   6           H        TRP   6   2.203   1.765  -0.580
   53    HA   TRP   6           HA       TRP   6  -0.527   2.510  -0.557
   54   1HB   TRP   6          2HB       TRP   6   1.174   1.640  -2.907
   55   2HB   TRP   6          1HB       TRP   6  -0.147   2.812  -2.936
   56    HD1  TRP   6           HD1      TRP   6   0.759   4.222  -0.149
   57    HE1  TRP   6           HE1      TRP   6   2.771   5.821  -0.207
   58    HE3  TRP   6           HE3      TRP   6   2.993   2.667  -4.458
   59    HZ2  TRP   6           HZ2      TRP   6   5.034   6.387  -1.872
   60    HZ3  TRP   6           HZ3      TRP   6   5.074   3.750  -5.263
   61    HH2  TRP   6           HH2      TRP   6   6.097   5.606  -3.975
   62    H    LYS   7           H        LYS   7   0.973  -0.600  -1.111
   63    HA   LYS   7           HA       LYS   7  -1.235  -1.843  -2.514
   64   1HB   LYS   7          2HB       LYS   7   0.960  -2.779  -2.683
   65   2HB   LYS   7          1HB       LYS   7   1.154  -2.812  -0.930
   66   1HG   LYS   7          2HG       LYS   7  -0.210  -4.672  -0.673
   67   2HG   LYS   7          1HG       LYS   7  -1.121  -4.336  -2.146
   68   1HD   LYS   7          2HD       LYS   7   0.889  -4.932  -3.490
   69   2HD   LYS   7          1HD       LYS   7   1.731  -5.356  -1.998
   70   1HE   LYS   7          2HE       LYS   7  -0.687  -6.745  -1.810
   71   2HE   LYS   7          1HE       LYS   7  -0.213  -6.921  -3.511
   72   1HZ   LYS   7          1HZ       LYS   7   1.449  -7.486  -1.115
   73   2HZ   LYS   7          2HZ       LYS   7   2.069  -7.425  -2.697
   74   3HZ   LYS   7          3HZ       LYS   7   0.916  -8.602  -2.278
   75    H    GLY   8           H        GLY   8  -0.362  -1.451   0.887
   76   1HA   GLY   8          2HA       GLY   8  -2.544  -3.208   1.785
   77   2HA   GLY   8          1HA       GLY   8  -1.441  -2.309   2.829
   78    H    ILE   9           H        ILE   9  -1.973   0.195   1.242
   79    HA   ILE   9           HA       ILE   9  -4.265   1.113   2.810
   80    HB   ILE   9           HB       ILE   9  -2.494   2.384   0.697
   81   1HG1  ILE   9          2HG1      ILE   9  -1.309   1.689   2.742
   82   2HG1  ILE   9          1HG1      ILE   9  -1.425   3.448   2.667
   83   1HG2  ILE   9          1HG2      ILE   9  -4.475   3.695   0.744
   84   2HG2  ILE   9          2HG2      ILE   9  -3.366   4.522   1.838
   85   3HG2  ILE   9          3HG2      ILE   9  -4.653   3.507   2.488
   86   1HD1  ILE   9          1HD1      ILE   9  -2.067   2.975   4.879
   87   2HD1  ILE   9          2HD1      ILE   9  -2.966   1.533   4.408
   88   3HD1  ILE   9          3HD1      ILE   9  -3.612   3.133   4.044
   89    H    LYS  10           H        LYS  10  -3.677   0.076  -0.490
   90    HA   LYS  10           HA       LYS  10  -6.201   1.186  -1.517
   91   1HB   LYS  10          2HB       LYS  10  -5.427   0.196  -3.596
   92   2HB   LYS  10          1HB       LYS  10  -4.041   0.941  -2.798
   93   1HG   LYS  10          2HG       LYS  10  -3.324  -1.215  -1.924
   94   2HG   LYS  10          1HG       LYS  10  -4.766  -1.994  -2.576
   95   1HD   LYS  10          2HD       LYS  10  -2.973  -0.463  -4.432
   96   2HD   LYS  10          1HD       LYS  10  -2.499  -2.085  -3.922
   97   1HE   LYS  10          2HE       LYS  10  -4.588  -3.019  -4.772
   98   2HE   LYS  10          1HE       LYS  10  -5.183  -1.396  -5.173
   99   1HZ   LYS  10          1HZ       LYS  10  -4.154  -2.472  -7.100
  100   2HZ   LYS  10          2HZ       LYS  10  -2.695  -2.625  -6.242
  101   3HZ   LYS  10          3HZ       LYS  10  -3.296  -1.085  -6.635
  102    H    SER  11           H        SER  11  -5.066  -1.806  -0.110
  103    HA   SER  11           HA       SER  11  -7.262  -3.450  -1.130
  104   1HB   SER  11          2HB       SER  11  -5.346  -4.676  -0.651
  105   2HB   SER  11          1HB       SER  11  -4.945  -3.690   0.753
  106    HG   SER  11           HG       SER  11  -6.210  -6.003   0.697
  107    H    LEU  12           H        LEU  12  -6.668  -1.437   1.682
  108    HA   LEU  12           HA       LEU  12  -8.924  -2.544   3.213
  109   1HB   LEU  12          2HB       LEU  12  -6.613  -0.834   3.588
  110   2HB   LEU  12          1HB       LEU  12  -8.053  -0.078   4.274
  111    HG   LEU  12           HG       LEU  12  -8.546  -2.267   5.432
  112   1HD1  LEU  12          1HD1      LEU  12  -7.375  -3.938   4.324
  113   2HD1  LEU  12          2HD1      LEU  12  -6.277  -3.620   5.668
  114   3HD1  LEU  12          3HD1      LEU  12  -5.953  -2.923   4.081
  115   1HD2  LEU  12          1HD2      LEU  12  -6.002  -0.729   5.992
  116   2HD2  LEU  12          2HD2      LEU  12  -6.592  -1.986   7.080
  117   3HD2  LEU  12          3HD2      LEU  12  -7.574  -0.553   6.773
  118    H    PHE  13           H        PHE  13  -8.298   0.144   1.035
  119    HA   PHE  13           HA       PHE  13 -10.335   1.959   1.623
  120   1HB   PHE  13          2HB       PHE  13  -8.622   1.241  -0.550
  121   2HB   PHE  13          1HB       PHE  13 -10.236   1.519  -1.207
  122    HD1  PHE  13           HD1      PHE  13 -11.484   3.646  -0.182
  123    HD2  PHE  13           HD2      PHE  13  -7.226   3.084  -0.262
  124    HE1  PHE  13           HE1      PHE  13 -11.156   6.094   0.046
  125    HE2  PHE  13           HE2      PHE  13  -6.898   5.532  -0.033
  126    HZ   PHE  13           HZ       PHE  13  -8.863   7.037   0.120
  127   1HN   NH2  14          1HN       NH2  14 -10.663  -1.160  -0.135
  128   2HN   NH2  14          2HN       NH2  14 -12.361  -1.177  -0.124
  Start of MODEL   16
    1   1H    ILE   1          1H        ILE   1  10.729  -0.102   0.566
    2   2H    ILE   1          2H        ILE   1   9.738  -0.973  -0.505
    3   3H    ILE   1          3H        ILE   1  10.741  -1.798   0.591
    4    HA   ILE   1           HA       ILE   1   8.574  -1.916   1.509
    5    HB   ILE   1           HB       ILE   1  10.182   0.345   2.746
    6   1HG1  ILE   1          2HG1      ILE   1  11.564  -1.640   2.274
    7   2HG1  ILE   1          1HG1      ILE   1  11.293  -1.478   4.010
    8   1HG2  ILE   1          1HG2      ILE   1   9.175  -1.029   4.827
    9   2HG2  ILE   1          2HG2      ILE   1   7.901  -1.347   3.651
   10   3HG2  ILE   1          3HG2      ILE   1   8.308   0.314   4.080
   11   1HD1  ILE   1          1HD1      ILE   1   9.808  -3.323   2.117
   12   2HD1  ILE   1          2HD1      ILE   1   9.389  -3.091   3.814
   13   3HD1  ILE   1          3HD1      ILE   1  10.943  -3.801   3.378
   14    H    LEU   2           H        LEU   2   9.115   0.798  -0.402
   15    HA   LEU   2           HA       LEU   2   7.030   2.558   0.596
   16   1HB   LEU   2          2HB       LEU   2   8.314   2.328  -2.147
   17   2HB   LEU   2          1HB       LEU   2   7.493   3.746  -1.494
   18    HG   LEU   2           HG       LEU   2   9.327   3.227   0.474
   19   1HD1  LEU   2          1HD1      LEU   2  11.409   3.133  -1.321
   20   2HD1  LEU   2          2HD1      LEU   2  10.259   2.006  -2.039
   21   3HD1  LEU   2          3HD1      LEU   2  10.826   1.754  -0.389
   22   1HD2  LEU   2          1HD2      LEU   2  10.235   5.271  -0.156
   23   2HD2  LEU   2          2HD2      LEU   2   8.700   5.328  -1.023
   24   3HD2  LEU   2          3HD2      LEU   2  10.177   4.883  -1.876
   25    H    GLY   3           H        GLY   3   7.222   0.471  -2.318
   26   1HA   GLY   3          2HA       GLY   3   4.538   0.764  -3.142
   27   2HA   GLY   3          1HA       GLY   3   5.524  -0.661  -3.479
   28    H    LYS   4           H        LYS   4   5.950  -1.287  -0.645
   29    HA   LYS   4           HA       LYS   4   3.729  -3.017  -0.179
   30   1HB   LYS   4          2HB       LYS   4   5.843  -1.870   1.674
   31   2HB   LYS   4          1HB       LYS   4   4.828  -3.261   2.054
   32   1HG   LYS   4          2HG       LYS   4   6.765  -3.058  -0.272
   33   2HG   LYS   4          1HG       LYS   4   7.002  -4.013   1.193
   34   1HD   LYS   4          2HD       LYS   4   4.708  -5.095   0.554
   35   2HD   LYS   4          1HD       LYS   4   5.055  -4.460  -1.055
   36   1HE   LYS   4          2HE       LYS   4   7.449  -5.688  -0.089
   37   2HE   LYS   4          1HE       LYS   4   6.112  -6.831   0.150
   38   1HZ   LYS   4          1HZ       LYS   4   5.408  -5.981  -2.188
   39   2HZ   LYS   4          2HZ       LYS   4   6.605  -7.179  -2.055
   40   3HZ   LYS   4          3HZ       LYS   4   7.046  -5.563  -2.335
   41    H    ILE   5           H        ILE   5   4.424   0.275   0.896
   42    HA   ILE   5           HA       ILE   5   2.277   0.425   2.838
   43    HB   ILE   5           HB       ILE   5   3.898   2.486   1.314
   44   1HG1  ILE   5          2HG1      ILE   5   4.157   1.799   4.232
   45   2HG1  ILE   5          1HG1      ILE   5   4.927   0.771   3.022
   46   1HG2  ILE   5          1HG2      ILE   5   3.051   4.152   2.778
   47   2HG2  ILE   5          2HG2      ILE   5   2.336   2.954   3.857
   48   3HG2  ILE   5          3HG2      ILE   5   1.628   3.244   2.268
   49   1HD1  ILE   5          1HD1      ILE   5   5.422   3.698   3.573
   50   2HD1  ILE   5          2HD1      ILE   5   5.912   2.946   2.055
   51   3HD1  ILE   5          3HD1      ILE   5   6.586   2.373   3.581
   52    H    TRP   6           H        TRP   6   2.664   1.738  -0.462
   53    HA   TRP   6           HA       TRP   6   0.040   2.805  -0.738
   54   1HB   TRP   6          2HB       TRP   6   1.811   1.592  -2.870
   55   2HB   TRP   6          1HB       TRP   6   0.669   2.924  -3.067
   56    HD1  TRP   6           HD1      TRP   6   1.542   4.390  -0.306
   57    HE1  TRP   6           HE1      TRP   6   3.759   5.691  -0.271
   58    HE3  TRP   6           HE3      TRP   6   3.879   2.246  -4.295
   59    HZ2  TRP   6           HZ2      TRP   6   6.207   5.823  -1.752
   60    HZ3  TRP   6           HZ3      TRP   6   6.153   2.975  -4.968
   61    HH2  TRP   6           HH2      TRP   6   7.319   4.760  -3.700
   62    H    LYS   7           H        LYS   7   1.354  -0.415  -1.447
   63    HA   LYS   7           HA       LYS   7  -1.036  -1.473  -2.674
   64   1HB   LYS   7          2HB       LYS   7   1.503  -2.235  -2.575
   65   2HB   LYS   7          1HB       LYS   7   0.950  -3.147  -1.170
   66   1HG   LYS   7          2HG       LYS   7   0.774  -4.532  -3.187
   67   2HG   LYS   7          1HG       LYS   7  -0.835  -4.170  -2.560
   68   1HD   LYS   7          2HD       LYS   7   0.029  -2.094  -4.387
   69   2HD   LYS   7          1HD       LYS   7   0.110  -3.676  -5.165
   70   1HE   LYS   7          2HE       LYS   7  -2.200  -4.102  -4.798
   71   2HE   LYS   7          1HE       LYS   7  -2.328  -2.804  -3.594
   72   1HZ   LYS   7          1HZ       LYS   7  -3.103  -2.273  -5.950
   73   2HZ   LYS   7          2HZ       LYS   7  -1.456  -2.266  -6.368
   74   3HZ   LYS   7          3HZ       LYS   7  -2.048  -1.167  -5.214
   75    H    GLY   8           H        GLY   8   0.030  -1.082   0.644
   76   1HA   GLY   8          2HA       GLY   8  -1.884  -2.959   1.775
   77   2HA   GLY   8          1HA       GLY   8  -0.951  -1.764   2.679
   78    H    ILE   9           H        ILE   9  -1.878   0.454   0.945
   79    HA   ILE   9           HA       ILE   9  -4.200   1.245   2.437
   80    HB   ILE   9           HB       ILE   9  -2.875   2.223  -0.106
   81   1HG1  ILE   9          2HG1      ILE   9  -2.898   3.512   2.626
   82   2HG1  ILE   9          1HG1      ILE   9  -1.711   2.277   2.205
   83   1HG2  ILE   9          1HG2      ILE   9  -5.034   3.546   1.565
   84   2HG2  ILE   9          2HG2      ILE   9  -5.230   2.937  -0.079
   85   3HG2  ILE   9          3HG2      ILE   9  -4.166   4.309   0.233
   86   1HD1  ILE   9          1HD1      ILE   9  -1.581   5.032   1.611
   87   2HD1  ILE   9          2HD1      ILE   9  -1.910   4.223   0.078
   88   3HD1  ILE   9          3HD1      ILE   9  -0.498   3.765   1.032
   89    H    LYS  10           H        LYS  10  -3.776  -0.025  -0.856
   90    HA   LYS  10           HA       LYS  10  -6.539   0.194  -1.643
   91   1HB   LYS  10          2HB       LYS  10  -4.068  -1.259  -2.532
   92   2HB   LYS  10          1HB       LYS  10  -5.616  -1.714  -3.245
   93   1HG   LYS  10          2HG       LYS  10  -4.410   1.068  -3.206
   94   2HG   LYS  10          1HG       LYS  10  -4.569   0.019  -4.615
   95   1HD   LYS  10          2HD       LYS  10  -7.141   0.174  -3.434
   96   2HD   LYS  10          1HD       LYS  10  -6.514   1.822  -3.495
   97   1HE   LYS  10          2HE       LYS  10  -5.815   1.190  -5.949
   98   2HE   LYS  10          1HE       LYS  10  -7.044  -0.078  -5.769
   99   1HZ   LYS  10          1HZ       LYS  10  -8.402   1.876  -4.734
  100   2HZ   LYS  10          2HZ       LYS  10  -8.342   1.678  -6.420
  101   3HZ   LYS  10          3HZ       LYS  10  -7.362   2.841  -5.664
  102    H    SER  11           H        SER  11  -4.777  -2.103   0.305
  103    HA   SER  11           HA       SER  11  -6.714  -4.277   0.043
  104   1HB   SER  11          2HB       SER  11  -4.169  -4.253   0.664
  105   2HB   SER  11          1HB       SER  11  -4.743  -3.895   2.291
  106    HG   SER  11           HG       SER  11  -4.951  -5.994   2.377
  107    H    LEU  12           H        LEU  12  -6.356  -1.434   2.038
  108    HA   LEU  12           HA       LEU  12  -8.100  -2.352   4.196
  109   1HB   LEU  12          2HB       LEU  12  -6.352  -0.700   4.569
  110   2HB   LEU  12          1HB       LEU  12  -7.028   0.350   3.324
  111    HG   LEU  12           HG       LEU  12  -9.213   0.104   4.853
  112   1HD1  LEU  12          1HD1      LEU  12  -7.420  -1.299   6.378
  113   2HD1  LEU  12          2HD1      LEU  12  -8.852  -0.495   7.019
  114   3HD1  LEU  12          3HD1      LEU  12  -7.286   0.314   7.080
  115   1HD2  LEU  12          1HD2      LEU  12  -7.694   2.064   6.209
  116   2HD2  LEU  12          2HD2      LEU  12  -8.773   2.316   4.837
  117   3HD2  LEU  12          3HD2      LEU  12  -7.057   2.012   4.566
  118    H    PHE  13           H        PHE  13  -8.507  -0.718   1.116
  119    HA   PHE  13           HA       PHE  13 -11.034   0.525   1.522
  120   1HB   PHE  13          2HB       PHE  13  -9.247  -0.261  -0.636
  121   2HB   PHE  13          1HB       PHE  13 -10.936  -0.436  -1.113
  122    HD1  PHE  13           HD1      PHE  13 -12.483   1.509  -1.001
  123    HD2  PHE  13           HD2      PHE  13  -8.277   1.904  -0.220
  124    HE1  PHE  13           HE1      PHE  13 -12.663   3.968  -1.274
  125    HE2  PHE  13           HE2      PHE  13  -8.459   4.363  -0.492
  126    HZ   PHE  13           HZ       PHE  13 -10.651   5.394  -1.019
  127   1HN   NH2  14          1HN       NH2  14 -10.671  -2.500  -0.403
  128   2HN   NH2  14          2HN       NH2  14 -12.071  -3.245   0.204
  Start of MODEL   17
    1   1H    ILE   1          1H        ILE   1   9.285  -1.356   0.377
    2   2H    ILE   1          2H        ILE   1   7.668  -1.389  -0.147
    3   3H    ILE   1          3H        ILE   1   8.097  -2.091   1.340
    4    HA   ILE   1           HA       ILE   1   7.364  -0.143   2.196
    5    HB   ILE   1           HB       ILE   1  10.141   0.341   1.091
    6   1HG1  ILE   1          2HG1      ILE   1   9.536   0.041   3.990
    7   2HG1  ILE   1          1HG1      ILE   1   9.325  -1.399   2.994
    8   1HG2  ILE   1          1HG2      ILE   1   8.304   2.188   2.440
    9   2HG2  ILE   1          2HG2      ILE   1   9.815   2.524   1.596
   10   3HG2  ILE   1          3HG2      ILE   1   9.842   2.006   3.282
   11   1HD1  ILE   1          1HD1      ILE   1  11.797  -0.022   3.790
   12   2HD1  ILE   1          2HD1      ILE   1  11.721  -0.402   2.070
   13   3HD1  ILE   1          3HD1      ILE   1  11.558  -1.688   3.266
   14    H    LEU   2           H        LEU   2   9.042   0.805  -0.836
   15    HA   LEU   2           HA       LEU   2   7.352   3.149  -1.210
   16   1HB   LEU   2          2HB       LEU   2   9.112   1.732  -3.227
   17   2HB   LEU   2          1HB       LEU   2   8.713   3.449  -3.162
   18    HG   LEU   2           HG       LEU   2   9.824   2.814  -0.644
   19   1HD1  LEU   2          1HD1      LEU   2  11.768   1.966  -2.775
   20   2HD1  LEU   2          2HD1      LEU   2  10.665   0.779  -2.079
   21   3HD1  LEU   2          3HD1      LEU   2  11.805   1.638  -1.043
   22   1HD2  LEU   2          1HD2      LEU   2  11.604   4.356  -1.401
   23   2HD2  LEU   2          2HD2      LEU   2  10.010   4.955  -1.863
   24   3HD2  LEU   2          3HD2      LEU   2  11.044   4.183  -3.064
   25    H    GLY   3           H        GLY   3   6.616  -0.054  -1.509
   26   1HA   GLY   3          2HA       GLY   3   4.535   0.535  -3.555
   27   2HA   GLY   3          1HA       GLY   3   5.535  -0.906  -3.748
   28    H    LYS   4           H        LYS   4   5.712  -1.595  -0.970
   29    HA   LYS   4           HA       LYS   4   3.311  -3.133  -0.654
   30   1HB   LYS   4          2HB       LYS   4   5.563  -2.349   1.220
   31   2HB   LYS   4          1HB       LYS   4   4.353  -3.575   1.601
   32   1HG   LYS   4          2HG       LYS   4   5.678  -3.874  -1.031
   33   2HG   LYS   4          1HG       LYS   4   6.715  -4.132   0.372
   34   1HD   LYS   4          2HD       LYS   4   4.069  -5.403   0.595
   35   2HD   LYS   4          1HD       LYS   4   5.060  -6.039  -0.718
   36   1HE   LYS   4          2HE       LYS   4   5.678  -7.353   1.173
   37   2HE   LYS   4          1HE       LYS   4   6.966  -6.135   1.060
   38   1HZ   LYS   4          1HZ       LYS   4   4.536  -6.002   2.766
   39   2HZ   LYS   4          2HZ       LYS   4   5.627  -4.717   2.556
   40   3HZ   LYS   4          3HZ       LYS   4   6.139  -6.157   3.297
   41    H    ILE   5           H        ILE   5   4.299   0.035   0.529
   42    HA   ILE   5           HA       ILE   5   2.252   0.298   2.555
   43    HB   ILE   5           HB       ILE   5   4.053   2.164   1.007
   44   1HG1  ILE   5          2HG1      ILE   5   4.928   0.612   2.821
   45   2HG1  ILE   5          1HG1      ILE   5   5.236   2.327   3.098
   46   1HG2  ILE   5          1HG2      ILE   5   3.309   3.959   2.561
   47   2HG2  ILE   5          2HG2      ILE   5   2.066   2.877   3.187
   48   3HG2  ILE   5          3HG2      ILE   5   2.003   3.414   1.509
   49   1HD1  ILE   5          1HD1      ILE   5   4.099   0.679   4.947
   50   2HD1  ILE   5          2HD1      ILE   5   2.662   1.328   4.159
   51   3HD1  ILE   5          3HD1      ILE   5   3.834   2.422   4.894
   52    H    TRP   6           H        TRP   6   2.549   1.662  -0.734
   53    HA   TRP   6           HA       TRP   6  -0.030   2.865  -0.850
   54   1HB   TRP   6          2HB       TRP   6   1.579   1.637  -3.098
   55   2HB   TRP   6          1HB       TRP   6   0.493   3.026  -3.203
   56    HD1  TRP   6           HD1      TRP   6   3.990   2.352  -3.137
   57    HE1  TRP   6           HE1      TRP   6   5.358   4.299  -2.163
   58    HE3  TRP   6           HE3      TRP   6   0.263   5.008  -0.896
   59    HZ2  TRP   6           HZ2      TRP   6   4.931   6.690  -0.642
   60    HZ3  TRP   6           HZ3      TRP   6   0.763   7.117   0.309
   61    HH2  TRP   6           HH2      TRP   6   3.092   7.960   0.439
   62    H    LYS   7           H        LYS   7   1.083  -0.391  -1.725
   63    HA   LYS   7           HA       LYS   7  -1.361  -1.311  -2.914
   64   1HB   LYS   7          2HB       LYS   7   1.201  -2.368  -1.908
   65   2HB   LYS   7          1HB       LYS   7  -0.128  -3.526  -1.831
   66   1HG   LYS   7          2HG       LYS   7  -0.350  -3.634  -4.112
   67   2HG   LYS   7          1HG       LYS   7   0.113  -1.947  -4.340
   68   1HD   LYS   7          2HD       LYS   7   2.325  -2.449  -4.535
   69   2HD   LYS   7          1HD       LYS   7   2.254  -3.678  -3.271
   70   1HE   LYS   7          2HE       LYS   7   0.986  -4.159  -5.974
   71   2HE   LYS   7          1HE       LYS   7   2.699  -4.517  -5.677
   72   1HZ   LYS   7          1HZ       LYS   7   0.324  -5.784  -4.566
   73   2HZ   LYS   7          2HZ       LYS   7   1.609  -5.532  -3.484
   74   3HZ   LYS   7          3HZ       LYS   7   1.851  -6.447  -4.895
   75    H    GLY   8           H        GLY   8  -0.310  -0.980   0.418
   76   1HA   GLY   8          2HA       GLY   8  -2.397  -2.702   1.510
   77   2HA   GLY   8          1HA       GLY   8  -1.350  -1.628   2.439
   78    H    ILE   9           H        ILE   9  -2.258   0.512   0.335
   79    HA   ILE   9           HA       ILE   9  -4.428   1.570   1.999
   80    HB   ILE   9           HB       ILE   9  -2.919   2.479  -0.463
   81   1HG1  ILE   9          2HG1      ILE   9  -1.805   2.448   1.813
   82   2HG1  ILE   9          1HG1      ILE   9  -1.887   4.041   1.061
   83   1HG2  ILE   9          1HG2      ILE   9  -4.302   4.649   0.728
   84   2HG2  ILE   9          2HG2      ILE   9  -5.488   3.366   0.494
   85   3HG2  ILE   9          3HG2      ILE   9  -4.556   3.966  -0.878
   86   1HD1  ILE   9          1HD1      ILE   9  -3.713   2.948   3.218
   87   2HD1  ILE   9          2HD1      ILE   9  -4.000   4.465   2.365
   88   3HD1  ILE   9          3HD1      ILE   9  -2.564   4.277   3.372
   89    H    LYS  10           H        LYS  10  -4.086   0.034  -1.154
   90    HA   LYS  10           HA       LYS  10  -6.833   0.653  -1.984
   91   1HB   LYS  10          2HB       LYS  10  -6.192  -0.618  -3.953
   92   2HB   LYS  10          1HB       LYS  10  -4.826   0.399  -3.493
   93   1HG   LYS  10          2HG       LYS  10  -3.521  -1.410  -3.215
   94   2HG   LYS  10          1HG       LYS  10  -4.675  -2.102  -2.074
   95   1HD   LYS  10          2HD       LYS  10  -6.031  -2.649  -4.286
   96   2HD   LYS  10          1HD       LYS  10  -4.433  -2.542  -5.026
   97   1HE   LYS  10          2HE       LYS  10  -3.926  -4.067  -2.777
   98   2HE   LYS  10          1HE       LYS  10  -5.532  -4.635  -3.278
   99   1HZ   LYS  10          1HZ       LYS  10  -3.445  -4.160  -5.300
  100   2HZ   LYS  10          2HZ       LYS  10  -4.787  -5.201  -5.367
  101   3HZ   LYS  10          3HZ       LYS  10  -3.435  -5.611  -4.422
  102    H    SER  11           H        SER  11  -5.236  -1.812  -0.144
  103    HA   SER  11           HA       SER  11  -7.293  -3.866  -0.597
  104   1HB   SER  11          2HB       SER  11  -4.685  -3.541   0.737
  105   2HB   SER  11          1HB       SER  11  -5.793  -4.613   1.589
  106    HG   SER  11           HG       SER  11  -6.125  -5.518  -0.647
  107    H    LEU  12           H        LEU  12  -6.625  -1.297   1.693
  108    HA   LEU  12           HA       LEU  12  -8.503  -2.297   3.720
  109   1HB   LEU  12          2HB       LEU  12  -6.307  -0.681   3.710
  110   2HB   LEU  12          1HB       LEU  12  -7.594   0.526   3.708
  111    HG   LEU  12           HG       LEU  12  -8.637  -0.654   5.652
  112   1HD1  LEU  12          1HD1      LEU  12  -7.128  -2.778   4.927
  113   2HD1  LEU  12          2HD1      LEU  12  -7.752  -2.563   6.562
  114   3HD1  LEU  12          3HD1      LEU  12  -6.093  -2.098   6.184
  115   1HD2  LEU  12          1HD2      LEU  12  -6.345   1.006   5.585
  116   2HD2  LEU  12          2HD2      LEU  12  -6.035  -0.208   6.826
  117   3HD2  LEU  12          3HD2      LEU  12  -7.476   0.803   6.923
  118    H    PHE  13           H        PHE  13  -8.563  -0.132   0.961
  119    HA   PHE  13           HA       PHE  13 -11.030   1.237   1.699
  120   1HB   PHE  13          2HB       PHE  13  -9.131   1.057  -0.589
  121   2HB   PHE  13          1HB       PHE  13 -10.762   1.614  -0.964
  122    HD1  PHE  13           HD1      PHE  13 -11.637   3.173   1.244
  123    HD2  PHE  13           HD2      PHE  13  -7.671   2.863  -0.378
  124    HE1  PHE  13           HE1      PHE  13 -11.087   5.411   2.159
  125    HE2  PHE  13           HE2      PHE  13  -7.121   5.101   0.537
  126    HZ   PHE  13           HZ       PHE  13  -8.830   6.376   1.805
  127   1HN   NH2  14          1HN       NH2  14 -10.222  -1.547  -0.432
  128   2HN   NH2  14          2HN       NH2  14 -11.827  -2.050  -0.660
  Start of MODEL   18
    1   1H    ILE   1          1H        ILE   1  10.697  -1.977   0.501
    2   2H    ILE   1          2H        ILE   1  10.330  -0.319   0.465
    3   3H    ILE   1          3H        ILE   1   9.899  -1.314  -0.842
    4    HA   ILE   1           HA       ILE   1   8.326  -2.520   0.553
    5    HB   ILE   1           HB       ILE   1   9.793  -2.164   2.568
    6   1HG1  ILE   1          2HG1      ILE   1   7.438  -1.207   3.816
    7   2HG1  ILE   1          1HG1      ILE   1   6.911  -2.123   2.403
    8   1HG2  ILE   1          1HG2      ILE   1   9.147   0.593   1.932
    9   2HG2  ILE   1          2HG2      ILE   1  10.364  -0.036   3.042
   10   3HG2  ILE   1          3HG2      ILE   1   8.708   0.214   3.598
   11   1HD1  ILE   1          1HD1      ILE   1   7.500  -4.085   3.347
   12   2HD1  ILE   1          2HD1      ILE   1   7.692  -3.196   4.858
   13   3HD1  ILE   1          3HD1      ILE   1   9.084  -3.463   3.809
   14    H    LEU   2           H        LEU   2   8.882   0.287  -0.933
   15    HA   LEU   2           HA       LEU   2   6.796   2.061  -0.077
   16   1HB   LEU   2          2HB       LEU   2   8.135   1.619  -2.766
   17   2HB   LEU   2          1HB       LEU   2   7.191   3.045  -2.335
   18    HG   LEU   2           HG       LEU   2   9.559   2.143  -0.690
   19   1HD1  LEU   2          1HD1      LEU   2  10.461   4.315  -2.076
   20   2HD1  LEU   2          2HD1      LEU   2   9.480   3.520  -3.307
   21   3HD1  LEU   2          3HD1      LEU   2  10.802   2.646  -2.533
   22   1HD2  LEU   2          1HD2      LEU   2   8.952   4.987  -0.883
   23   2HD2  LEU   2          2HD2      LEU   2   9.086   3.971   0.551
   24   3HD2  LEU   2          3HD2      LEU   2   7.558   4.064  -0.322
   25    H    GLY   3           H        GLY   3   6.890  -0.454  -2.617
   26   1HA   GLY   3          2HA       GLY   3   4.293  -0.081  -3.660
   27   2HA   GLY   3          1HA       GLY   3   5.133  -1.633  -3.639
   28    H    LYS   4           H        LYS   4   5.367  -1.898  -0.804
   29    HA   LYS   4           HA       LYS   4   2.911  -3.162  -0.136
   30   1HB   LYS   4          2HB       LYS   4   5.325  -2.158   1.360
   31   2HB   LYS   4          1HB       LYS   4   3.977  -2.873   2.242
   32   1HG   LYS   4          2HG       LYS   4   5.341  -4.238  -0.091
   33   2HG   LYS   4          1HG       LYS   4   5.800  -4.509   1.590
   34   1HD   LYS   4          2HD       LYS   4   3.055  -4.994   0.393
   35   2HD   LYS   4          1HD       LYS   4   4.214  -6.236   0.864
   36   1HE   LYS   4          2HE       LYS   4   4.082  -4.842   3.189
   37   2HE   LYS   4          1HE       LYS   4   2.439  -4.577   2.573
   38   1HZ   LYS   4          1HZ       LYS   4   2.010  -6.821   2.469
   39   2HZ   LYS   4          2HZ       LYS   4   2.974  -6.747   3.867
   40   3HZ   LYS   4          3HZ       LYS   4   3.649  -7.253   2.392
   41    H    ILE   5           H        ILE   5   4.004   0.154   0.296
   42    HA   ILE   5           HA       ILE   5   1.879   0.908   2.146
   43    HB   ILE   5           HB       ILE   5   3.857   2.420   0.418
   44   1HG1  ILE   5          2HG1      ILE   5   4.749   1.012   2.294
   45   2HG1  ILE   5          1HG1      ILE   5   5.054   2.735   2.518
   46   1HG2  ILE   5          1HG2      ILE   5   2.709   3.835   2.710
   47   2HG2  ILE   5          2HG2      ILE   5   1.506   3.446   1.480
   48   3HG2  ILE   5          3HG2      ILE   5   2.934   4.386   1.050
   49   1HD1  ILE   5          1HD1      ILE   5   4.019   2.597   4.512
   50   2HD1  ILE   5          2HD1      ILE   5   3.541   0.929   4.195
   51   3HD1  ILE   5          3HD1      ILE   5   2.516   2.258   3.652
   52    H    TRP   6           H        TRP   6   2.564   1.812  -1.245
   53    HA   TRP   6           HA       TRP   6   0.071   3.073  -1.774
   54   1HB   TRP   6          2HB       TRP   6   1.827   1.515  -3.682
   55   2HB   TRP   6          1HB       TRP   6   0.828   2.919  -4.064
   56    HD1  TRP   6           HD1      TRP   6   4.266   2.126  -3.555
   57    HE1  TRP   6           HE1      TRP   6   5.625   4.131  -2.692
   58    HE3  TRP   6           HE3      TRP   6   0.472   5.183  -2.058
   59    HZ2  TRP   6           HZ2      TRP   6   5.171   6.711  -1.531
   60    HZ3  TRP   6           HZ3      TRP   6   0.955   7.410  -1.078
   61    HH2  TRP   6           HH2      TRP   6   3.300   8.175  -0.812
   62    H    LYS   7           H        LYS   7   1.088  -0.310  -2.056
   63    HA   LYS   7           HA       LYS   7  -1.501  -1.141  -3.195
   64   1HB   LYS   7          2HB       LYS   7   0.565  -2.188  -3.935
   65   2HB   LYS   7          1HB       LYS   7   0.999  -2.592  -2.274
   66   1HG   LYS   7          2HG       LYS   7  -1.437  -3.758  -2.398
   67   2HG   LYS   7          1HG       LYS   7  -0.956  -3.897  -4.089
   68   1HD   LYS   7          2HD       LYS   7  -0.100  -5.865  -3.107
   69   2HD   LYS   7          1HD       LYS   7   1.295  -4.786  -3.162
   70   1HE   LYS   7          2HE       LYS   7   1.176  -4.316  -0.845
   71   2HE   LYS   7          1HE       LYS   7  -0.496  -4.900  -0.726
   72   1HZ   LYS   7          1HZ       LYS   7   0.389  -7.103  -1.503
   73   2HZ   LYS   7          2HZ       LYS   7   0.863  -6.646   0.064
   74   3HZ   LYS   7          3HZ       LYS   7   1.951  -6.497  -1.232
   75    H    GLY   8           H        GLY   8   0.019  -0.902  -0.064
   76   1HA   GLY   8          2HA       GLY   8  -1.781  -2.806   1.236
   77   2HA   GLY   8          1HA       GLY   8  -0.643  -1.733   2.052
   78    H    ILE   9           H        ILE   9  -1.744   0.625   0.548
   79    HA   ILE   9           HA       ILE   9  -3.870   1.279   2.454
   80    HB   ILE   9           HB       ILE   9  -2.449   2.689   0.188
   81   1HG1  ILE   9          2HG1      ILE   9  -1.308   2.242   2.416
   82   2HG1  ILE   9          1HG1      ILE   9  -1.409   3.943   1.961
   83   1HG2  ILE   9          1HG2      ILE   9  -3.795   4.616   1.691
   84   2HG2  ILE   9          2HG2      ILE   9  -4.993   3.343   1.458
   85   3HG2  ILE   9          3HG2      ILE   9  -4.217   4.090   0.062
   86   1HD1  ILE   9          1HD1      ILE   9  -3.771   3.042   3.431
   87   2HD1  ILE   9          2HD1      ILE   9  -2.733   4.438   3.724
   88   3HD1  ILE   9          3HD1      ILE   9  -2.285   2.856   4.363
   89    H    LYS  10           H        LYS  10  -3.611   0.784  -1.059
   90    HA   LYS  10           HA       LYS  10  -6.421   1.324  -1.580
   91   1HB   LYS  10          2HB       LYS  10  -5.813   0.511  -3.822
   92   2HB   LYS  10          1HB       LYS  10  -4.556   1.587  -3.209
   93   1HG   LYS  10          2HG       LYS  10  -3.019  -0.054  -3.309
   94   2HG   LYS  10          1HG       LYS  10  -4.046  -1.136  -2.368
   95   1HD   LYS  10          2HD       LYS  10  -3.827  -2.261  -4.425
   96   2HD   LYS  10          1HD       LYS  10  -5.378  -1.436  -4.580
   97   1HE   LYS  10          2HE       LYS  10  -3.781   0.518  -5.530
   98   2HE   LYS  10          1HE       LYS  10  -2.806  -0.894  -5.984
   99   1HZ   LYS  10          1HZ       LYS  10  -4.262  -0.891  -7.718
  100   2HZ   LYS  10          2HZ       LYS  10  -5.508  -0.151  -6.831
  101   3HZ   LYS  10          3HZ       LYS  10  -5.181  -1.806  -6.625
  102    H    SER  11           H        SER  11  -4.619  -1.438  -0.489
  103    HA   SER  11           HA       SER  11  -6.579  -3.437  -1.358
  104   1HB   SER  11          2HB       SER  11  -4.130  -3.838  -1.073
  105   2HB   SER  11          1HB       SER  11  -4.308  -3.551   0.655
  106    HG   SER  11           HG       SER  11  -5.426  -5.617  -0.929
  107    H    LEU  12           H        LEU  12  -6.011  -1.447   1.475
  108    HA   LEU  12           HA       LEU  12  -7.751  -2.992   3.248
  109   1HB   LEU  12          2HB       LEU  12  -5.751  -1.114   3.499
  110   2HB   LEU  12          1HB       LEU  12  -7.192  -0.160   3.850
  111    HG   LEU  12           HG       LEU  12  -7.793  -2.311   5.320
  112   1HD1  LEU  12          1HD1      LEU  12  -5.128  -2.472   6.279
  113   2HD1  LEU  12          2HD1      LEU  12  -5.055  -2.723   4.534
  114   3HD1  LEU  12          3HD1      LEU  12  -6.080  -3.754   5.532
  115   1HD2  LEU  12          1HD2      LEU  12  -7.749  -0.518   6.705
  116   2HD2  LEU  12          2HD2      LEU  12  -6.435   0.241   5.805
  117   3HD2  LEU  12          3HD2      LEU  12  -6.077  -0.966   7.041
  118    H    PHE  13           H        PHE  13  -8.134  -0.382   0.948
  119    HA   PHE  13           HA       PHE  13 -10.653   0.636   1.960
  120   1HB   PHE  13          2HB       PHE  13  -8.868   0.919  -0.386
  121   2HB   PHE  13          1HB       PHE  13 -10.567   1.276  -0.697
  122    HD1  PHE  13           HD1      PHE  13 -11.572   3.275   0.100
  123    HD2  PHE  13           HD2      PHE  13  -7.695   2.101   1.530
  124    HE1  PHE  13           HE1      PHE  13 -11.316   5.476   1.213
  125    HE2  PHE  13           HE2      PHE  13  -7.439   4.303   2.642
  126    HZ   PHE  13           HZ       PHE  13  -9.248   5.991   2.484
  127   1HN   NH2  14          1HN       NH2  14 -12.448  -0.771   2.028
  128   2HN   NH2  14          2HN       NH2  14 -12.911  -1.809   0.767
  Start of MODEL   19
    1   1H    ILE   1          1H        ILE   1   9.059  -1.458  -0.613
    2   2H    ILE   1          2H        ILE   1  10.305  -1.995   0.410
    3   3H    ILE   1          3H        ILE   1  10.304  -0.395  -0.166
    4    HA   ILE   1           HA       ILE   1   8.462  -1.612   1.820
    5    HB   ILE   1           HB       ILE   1  10.779  -0.774   2.400
    6   1HG1  ILE   1          2HG1      ILE   1   8.812  -0.784   3.991
    7   2HG1  ILE   1          1HG1      ILE   1  10.044   0.421   4.363
    8   1HG2  ILE   1          1HG2      ILE   1  11.072   1.029   0.868
    9   2HG2  ILE   1          2HG2      ILE   1  10.932   1.780   2.459
   10   3HG2  ILE   1          3HG2      ILE   1   9.556   1.787   1.356
   11   1HD1  ILE   1          1HD1      ILE   1   8.357   1.772   2.622
   12   2HD1  ILE   1          2HD1      ILE   1   8.353   1.923   4.378
   13   3HD1  ILE   1          3HD1      ILE   1   7.246   0.802   3.588
   14    H    LEU   2           H        LEU   2   8.892   0.840  -0.650
   15    HA   LEU   2           HA       LEU   2   6.730   2.575   0.231
   16   1HB   LEU   2          2HB       LEU   2   8.114   2.190  -2.445
   17   2HB   LEU   2          1HB       LEU   2   7.101   3.569  -2.015
   18    HG   LEU   2           HG       LEU   2   9.654   2.754  -0.596
   19   1HD1  LEU   2          1HD1      LEU   2   8.997   5.010  -2.512
   20   2HD1  LEU   2          2HD1      LEU   2  10.163   3.709  -2.761
   21   3HD1  LEU   2          3HD1      LEU   2  10.467   4.945  -1.540
   22   1HD2  LEU   2          1HD2      LEU   2   9.319   4.999   0.519
   23   2HD2  LEU   2          2HD2      LEU   2   8.120   3.785   0.964
   24   3HD2  LEU   2          3HD2      LEU   2   7.708   5.046  -0.198
   25    H    GLY   3           H        GLY   3   7.023   0.346  -2.564
   26   1HA   GLY   3          2HA       GLY   3   4.356   0.429  -3.426
   27   2HA   GLY   3          1HA       GLY   3   5.388  -0.993  -3.599
   28    H    LYS   4           H        LYS   4   5.791  -1.433  -0.778
   29    HA   LYS   4           HA       LYS   4   3.573  -3.109  -0.164
   30   1HB   LYS   4          2HB       LYS   4   5.734  -1.827   1.536
   31   2HB   LYS   4          1HB       LYS   4   4.680  -3.123   2.104
   32   1HG   LYS   4          2HG       LYS   4   6.144  -3.512  -0.479
   33   2HG   LYS   4          1HG       LYS   4   7.045  -3.674   1.029
   34   1HD   LYS   4          2HD       LYS   4   4.508  -5.041   1.243
   35   2HD   LYS   4          1HD       LYS   4   5.387  -5.612  -0.177
   36   1HE   LYS   4          2HE       LYS   4   6.819  -5.313   2.464
   37   2HE   LYS   4          1HE       LYS   4   5.882  -6.778   2.103
   38   1HZ   LYS   4          1HZ       LYS   4   7.135  -7.191   0.184
   39   2HZ   LYS   4          2HZ       LYS   4   8.293  -6.762   1.351
   40   3HZ   LYS   4          3HZ       LYS   4   7.815  -5.637   0.172
   41    H    ILE   5           H        ILE   5   4.262   0.257   0.658
   42    HA   ILE   5           HA       ILE   5   2.138   0.548   2.604
   43    HB   ILE   5           HB       ILE   5   3.708   2.499   0.895
   44   1HG1  ILE   5          2HG1      ILE   5   4.009   1.619   3.785
   45   2HG1  ILE   5          1HG1      ILE   5   5.059   1.135   2.453
   46   1HG2  ILE   5          1HG2      ILE   5   1.588   2.869   2.959
   47   2HG2  ILE   5          2HG2      ILE   5   1.990   3.876   1.568
   48   3HG2  ILE   5          3HG2      ILE   5   2.976   3.955   3.028
   49   1HD1  ILE   5          1HD1      ILE   5   5.194   3.800   2.134
   50   2HD1  ILE   5          2HD1      ILE   5   6.288   2.926   3.206
   51   3HD1  ILE   5          3HD1      ILE   5   4.876   3.750   3.868
   52    H    TRP   6           H        TRP   6   2.464   1.659  -0.779
   53    HA   TRP   6           HA       TRP   6  -0.166   2.673  -1.098
   54   1HB   TRP   6          2HB       TRP   6   1.590   1.303  -3.146
   55   2HB   TRP   6          1HB       TRP   6   0.417   2.588  -3.447
   56    HD1  TRP   6           HD1      TRP   6   1.285   4.283  -0.810
   57    HE1  TRP   6           HE1      TRP   6   3.466   5.641  -0.912
   58    HE3  TRP   6           HE3      TRP   6   3.619   1.907  -4.666
   59    HZ2  TRP   6           HZ2      TRP   6   5.886   5.728  -2.441
   60    HZ3  TRP   6           HZ3      TRP   6   5.860   2.646  -5.434
   61    HH2  TRP   6           HH2      TRP   6   6.996   4.551  -4.324
   62    H    LYS   7           H        LYS   7   1.072  -0.619  -1.232
   63    HA   LYS   7           HA       LYS   7  -1.373  -1.724  -2.430
   64   1HB   LYS   7          2HB       LYS   7   1.085  -2.529  -2.597
   65   2HB   LYS   7          1HB       LYS   7   0.827  -3.214  -0.993
   66   1HG   LYS   7          2HG       LYS   7   0.365  -4.881  -2.760
   67   2HG   LYS   7          1HG       LYS   7  -1.092  -4.504  -1.839
   68   1HD   LYS   7          2HD       LYS   7  -2.023  -3.243  -3.576
   69   2HD   LYS   7          1HD       LYS   7  -0.459  -2.958  -4.339
   70   1HE   LYS   7          2HE       LYS   7  -0.334  -5.377  -4.940
   71   2HE   LYS   7          1HE       LYS   7  -1.955  -5.603  -4.253
   72   1HZ   LYS   7          1HZ       LYS   7  -2.796  -3.898  -5.735
   73   2HZ   LYS   7          2HZ       LYS   7  -2.062  -5.137  -6.636
   74   3HZ   LYS   7          3HZ       LYS   7  -1.250  -3.664  -6.394
   75    H    GLY   8           H        GLY   8  -0.197  -0.998   0.761
   76   1HA   GLY   8          2HA       GLY   8  -2.040  -2.858   2.097
   77   2HA   GLY   8          1HA       GLY   8  -0.974  -1.704   2.897
   78    H    ILE   9           H        ILE   9  -1.916   0.539   1.206
   79    HA   ILE   9           HA       ILE   9  -4.177   1.350   2.850
   80    HB   ILE   9           HB       ILE   9  -2.807   2.547   0.422
   81   1HG1  ILE   9          2HG1      ILE   9  -1.452   2.177   2.540
   82   2HG1  ILE   9          1HG1      ILE   9  -1.561   3.857   2.013
   83   1HG2  ILE   9          1HG2      ILE   9  -4.900   3.634   0.522
   84   2HG2  ILE   9          2HG2      ILE   9  -3.840   4.690   1.457
   85   3HG2  ILE   9          3HG2      ILE   9  -4.939   3.586   2.285
   86   1HD1  ILE   9          1HD1      ILE   9  -3.182   2.524   4.200
   87   2HD1  ILE   9          2HD1      ILE   9  -3.507   4.145   3.586
   88   3HD1  ILE   9          3HD1      ILE   9  -1.979   3.800   4.397
   89    H    LYS  10           H        LYS  10  -3.739   0.353  -0.528
   90    HA   LYS  10           HA       LYS  10  -6.486   0.858  -1.316
   91   1HB   LYS  10          2HB       LYS  10  -4.023  -0.432  -2.397
   92   2HB   LYS  10          1HB       LYS  10  -5.555  -0.889  -3.142
   93   1HG   LYS  10          2HG       LYS  10  -6.057   1.372  -3.728
   94   2HG   LYS  10          1HG       LYS  10  -4.760   1.996  -2.708
   95   1HD   LYS  10          2HD       LYS  10  -3.113   1.444  -4.222
   96   2HD   LYS  10          1HD       LYS  10  -4.010   0.064  -4.854
   97   1HE   LYS  10          2HE       LYS  10  -5.422   1.458  -6.187
   98   2HE   LYS  10          1HE       LYS  10  -4.896   2.924  -5.334
   99   1HZ   LYS  10          1HZ       LYS  10  -2.784   2.805  -6.251
  100   2HZ   LYS  10          2HZ       LYS  10  -3.772   2.358  -7.558
  101   3HZ   LYS  10          3HZ       LYS  10  -2.937   1.171  -6.676
  102    H    SER  11           H        SER  11  -4.814  -1.790   0.243
  103    HA   SER  11           HA       SER  11  -6.816  -3.825  -0.358
  104   1HB   SER  11          2HB       SER  11  -4.488  -3.525   1.546
  105   2HB   SER  11          1HB       SER  11  -5.503  -4.964   1.556
  106    HG   SER  11           HG       SER  11  -4.999  -5.228  -0.658
  107    H    LEU  12           H        LEU  12  -6.478  -1.290   2.004
  108    HA   LEU  12           HA       LEU  12  -8.347  -2.498   3.931
  109   1HB   LEU  12          2HB       LEU  12  -6.452  -0.303   3.741
  110   2HB   LEU  12          1HB       LEU  12  -7.972   0.239   4.455
  111    HG   LEU  12           HG       LEU  12  -6.399  -0.612   6.176
  112   1HD1  LEU  12          1HD1      LEU  12  -8.029  -2.505   6.998
  113   2HD1  LEU  12          2HD1      LEU  12  -9.002  -2.005   5.615
  114   3HD1  LEU  12          3HD1      LEU  12  -8.612  -0.845   6.884
  115   1HD2  LEU  12          1HD2      LEU  12  -6.804  -3.369   5.033
  116   2HD2  LEU  12          2HD2      LEU  12  -5.565  -2.808   6.156
  117   3HD2  LEU  12          3HD2      LEU  12  -5.481  -2.358   4.452
  118    H    PHE  13           H        PHE  13  -8.468  -0.317   1.198
  119    HA   PHE  13           HA       PHE  13 -10.812   1.160   1.676
  120   1HB   PHE  13          2HB       PHE  13  -9.069   0.499  -0.459
  121   2HB   PHE  13          1HB       PHE  13 -10.703   0.176  -1.038
  122    HD1  PHE  13           HD1      PHE  13 -12.243   2.182   0.544
  123    HD2  PHE  13           HD2      PHE  13  -8.505   2.529  -1.543
  124    HE1  PHE  13           HE1      PHE  13 -12.625   4.616   0.264
  125    HE2  PHE  13           HE2      PHE  13  -8.887   4.964  -1.824
  126    HZ   PHE  13           HZ       PHE  13 -10.948   6.007  -0.920
  127   1HN   NH2  14          1HN       NH2  14 -12.863   0.499  -0.012
  128   2HN   NH2  14          2HN       NH2  14 -13.531  -1.014   0.367
  Start of MODEL   20
    1   1H    ILE   1          1H        ILE   1   7.971  -2.528  -1.340
    2   2H    ILE   1          2H        ILE   1   9.370  -3.351  -0.837
    3   3H    ILE   1          3H        ILE   1   9.484  -2.087  -1.967
    4    HA   ILE   1           HA       ILE   1   9.085  -1.948   0.944
    5    HB   ILE   1           HB       ILE   1  10.622  -0.366  -1.145
    6   1HG1  ILE   1          2HG1      ILE   1  12.426  -1.753   0.430
    7   2HG1  ILE   1          1HG1      ILE   1  11.117  -2.916   0.227
    8   1HG2  ILE   1          1HG2      ILE   1  10.244  -0.124   1.782
    9   2HG2  ILE   1          2HG2      ILE   1  10.705   1.102   0.601
   10   3HG2  ILE   1          3HG2      ILE   1  11.915  -0.017   1.228
   11   1HD1  ILE   1          1HD1      ILE   1  13.111  -2.530  -1.601
   12   2HD1  ILE   1          2HD1      ILE   1  11.862  -1.454  -2.230
   13   3HD1  ILE   1          3HD1      ILE   1  11.516  -3.168  -2.001
   14    H    LEU   2           H        LEU   2   8.981   0.432  -1.726
   15    HA   LEU   2           HA       LEU   2   7.126   2.152  -0.315
   16   1HB   LEU   2          2HB       LEU   2   7.758   2.107  -3.277
   17   2HB   LEU   2          1HB       LEU   2   7.340   3.502  -2.282
   18    HG   LEU   2           HG       LEU   2   9.585   2.311  -1.047
   19   1HD1  LEU   2          1HD1      LEU   2  10.141   1.091  -3.043
   20   2HD1  LEU   2          2HD1      LEU   2  11.217   2.486  -2.985
   21   3HD1  LEU   2          3HD1      LEU   2   9.820   2.494  -4.061
   22   1HD2  LEU   2          1HD2      LEU   2  10.682   4.455  -1.964
   23   2HD2  LEU   2          2HD2      LEU   2   9.243   4.665  -0.965
   24   3HD2  LEU   2          3HD2      LEU   2   9.124   4.788  -2.720
   25    H    GLY   3           H        GLY   3   6.769   0.115  -3.248
   26   1HA   GLY   3          2HA       GLY   3   4.002   0.535  -3.644
   27   2HA   GLY   3          1HA       GLY   3   4.862  -0.924  -4.142
   28    H    LYS   4           H        LYS   4   5.686  -1.457  -1.309
   29    HA   LYS   4           HA       LYS   4   3.488  -3.156  -0.559
   30   1HB   LYS   4          2HB       LYS   4   5.923  -2.145   0.946
   31   2HB   LYS   4          1HB       LYS   4   4.915  -3.499   1.462
   32   1HG   LYS   4          2HG       LYS   4   6.121  -3.470  -1.296
   33   2HG   LYS   4          1HG       LYS   4   7.076  -4.005   0.087
   34   1HD   LYS   4          2HD       LYS   4   5.859  -5.921   0.355
   35   2HD   LYS   4          1HD       LYS   4   4.343  -5.139  -0.096
   36   1HE   LYS   4          2HE       LYS   4   6.316  -5.360  -2.295
   37   2HE   LYS   4          1HE       LYS   4   5.651  -6.901  -1.719
   38   1HZ   LYS   4          1HZ       LYS   4   3.427  -5.940  -1.859
   39   2HZ   LYS   4          2HZ       LYS   4   4.192  -5.921  -3.376
   40   3HZ   LYS   4          3HZ       LYS   4   4.074  -4.493  -2.463
   41    H    ILE   5           H        ILE   5   4.543   0.057   0.487
   42    HA   ILE   5           HA       ILE   5   2.687   0.252   2.711
   43    HB   ILE   5           HB       ILE   5   4.359   2.185   1.096
   44   1HG1  ILE   5          2HG1      ILE   5   4.566   1.323   3.995
   45   2HG1  ILE   5          1HG1      ILE   5   5.423   0.512   2.684
   46   1HG2  ILE   5          1HG2      ILE   5   3.026   3.836   1.876
   47   2HG2  ILE   5          2HG2      ILE   5   3.667   3.455   3.474
   48   3HG2  ILE   5          3HG2      ILE   5   2.153   2.729   2.935
   49   1HD1  ILE   5          1HD1      ILE   5   5.823   3.338   2.422
   50   2HD1  ILE   5          2HD1      ILE   5   7.026   2.087   2.730
   51   3HD1  ILE   5          3HD1      ILE   5   6.201   2.868   4.079
   52    H    TRP   6           H        TRP   6   2.746   1.723  -0.546
   53    HA   TRP   6           HA       TRP   6   0.223   3.016  -0.432
   54   1HB   TRP   6          2HB       TRP   6   1.555   1.711  -2.816
   55   2HB   TRP   6          1HB       TRP   6   0.522   3.142  -2.830
   56    HD1  TRP   6           HD1      TRP   6   3.983   2.323  -3.076
   57    HE1  TRP   6           HE1      TRP   6   5.509   4.224  -2.257
   58    HE3  TRP   6           HE3      TRP   6   0.583   5.149  -0.542
   59    HZ2  TRP   6           HZ2      TRP   6   5.316   6.643  -0.734
   60    HZ3  TRP   6           HZ3      TRP   6   1.272   7.248   0.584
   61    HH2  TRP   6           HH2      TRP   6   3.635   7.997   0.492
   62    H    LYS   7           H        LYS   7   1.084  -0.336  -1.108
   63    HA   LYS   7           HA       LYS   7  -1.434  -1.175  -2.218
   64   1HB   LYS   7          2HB       LYS   7   0.906  -2.283  -2.189
   65   2HB   LYS   7          1HB       LYS   7   0.465  -2.862  -0.583
   66   1HG   LYS   7          2HG       LYS   7  -1.635  -3.829  -1.602
   67   2HG   LYS   7          1HG       LYS   7  -0.976  -3.421  -3.187
   68   1HD   LYS   7          2HD       LYS   7   1.091  -4.756  -2.544
   69   2HD   LYS   7          1HD       LYS   7   0.180  -5.332  -1.147
   70   1HE   LYS   7          2HE       LYS   7  -1.481  -5.615  -3.470
   71   2HE   LYS   7          1HE       LYS   7   0.096  -6.358  -3.805
   72   1HZ   LYS   7          1HZ       LYS   7  -0.151  -7.220  -1.388
   73   2HZ   LYS   7          2HZ       LYS   7  -0.966  -8.025  -2.643
   74   3HZ   LYS   7          3HZ       LYS   7  -1.806  -6.947  -1.635
   75    H    GLY   8           H        GLY   8  -0.278  -0.720   1.071
   76   1HA   GLY   8          2HA       GLY   8  -2.346  -2.243   2.380
   77   2HA   GLY   8          1HA       GLY   8  -1.353  -1.000   3.143
   78    H    ILE   9           H        ILE   9  -2.207   0.955   0.999
   79    HA   ILE   9           HA       ILE   9  -4.513   2.029   2.404
   80    HB   ILE   9           HB       ILE   9  -2.947   2.743  -0.082
   81   1HG1  ILE   9          2HG1      ILE   9  -3.228   4.145   2.594
   82   2HG1  ILE   9          1HG1      ILE   9  -1.922   3.025   2.205
   83   1HG2  ILE   9          1HG2      ILE   9  -5.301   4.178   1.180
   84   2HG2  ILE   9          2HG2      ILE   9  -5.201   3.546  -0.464
   85   3HG2  ILE   9          3HG2      ILE   9  -4.206   4.922   0.015
   86   1HD1  ILE   9          1HD1      ILE   9  -0.867   4.939   1.527
   87   2HD1  ILE   9          2HD1      ILE   9  -2.383   5.797   1.249
   88   3HD1  ILE   9          3HD1      ILE   9  -1.783   4.654   0.048
   89    H    LYS  10           H        LYS  10  -4.095   1.171  -1.038
   90    HA   LYS  10           HA       LYS  10  -6.918   1.102  -1.600
   91   1HB   LYS  10          2HB       LYS  10  -6.155   0.211  -3.740
   92   2HB   LYS  10          1HB       LYS  10  -5.023   1.457  -3.213
   93   1HG   LYS  10          2HG       LYS  10  -3.495  -0.186  -3.708
   94   2HG   LYS  10          1HG       LYS  10  -3.862  -0.671  -2.053
   95   1HD   LYS  10          2HD       LYS  10  -4.998  -2.535  -2.711
   96   2HD   LYS  10          1HD       LYS  10  -5.708  -1.728  -4.109
   97   1HE   LYS  10          2HE       LYS  10  -2.803  -2.028  -4.362
   98   2HE   LYS  10          1HE       LYS  10  -3.648  -3.584  -4.225
   99   1HZ   LYS  10          1HZ       LYS  10  -4.435  -1.367  -6.042
  100   2HZ   LYS  10          2HZ       LYS  10  -5.198  -2.880  -5.919
  101   3HZ   LYS  10          3HZ       LYS  10  -3.614  -2.770  -6.525
  102    H    SER  11           H        SER  11  -4.935  -1.067   0.102
  103    HA   SER  11           HA       SER  11  -6.270  -3.545  -0.702
  104   1HB   SER  11          2HB       SER  11  -4.206  -2.632   1.261
  105   2HB   SER  11          1HB       SER  11  -4.976  -4.191   1.541
  106    HG   SER  11           HG       SER  11  -3.602  -3.320  -0.789
  107    H    LEU  12           H        LEU  12  -6.567  -1.176   1.904
  108    HA   LEU  12           HA       LEU  12  -8.533  -2.795   3.381
  109   1HB   LEU  12          2HB       LEU  12  -6.736  -0.698   3.892
  110   2HB   LEU  12          1HB       LEU  12  -8.335   0.023   4.083
  111    HG   LEU  12           HG       LEU  12  -8.800  -2.236   5.416
  112   1HD1  LEU  12          1HD1      LEU  12  -5.802  -1.832   5.545
  113   2HD1  LEU  12          2HD1      LEU  12  -6.674  -3.294   5.083
  114   3HD1  LEU  12          3HD1      LEU  12  -6.698  -2.745   6.760
  115   1HD2  LEU  12          1HD2      LEU  12  -7.917  -0.980   7.493
  116   2HD2  LEU  12          2HD2      LEU  12  -9.111  -0.145   6.497
  117   3HD2  LEU  12          3HD2      LEU  12  -7.402   0.271   6.361
  118    H    PHE  13           H        PHE  13  -8.536  -0.326   0.916
  119    HA   PHE  13           HA       PHE  13 -10.956   0.999   1.187
  120   1HB   PHE  13          2HB       PHE  13  -9.330  -0.080  -1.072
  121   2HB   PHE  13          1HB       PHE  13 -10.946   0.512  -1.459
  122    HD1  PHE  13           HD1      PHE  13 -10.669   2.615  -2.466
  123    HD2  PHE  13           HD2      PHE  13  -8.477   1.672   1.105
  124    HE1  PHE  13           HE1      PHE  13  -9.841   4.951  -2.356
  125    HE2  PHE  13           HE2      PHE  13  -7.648   4.006   1.214
  126    HZ   PHE  13           HZ       PHE  13  -8.331   5.646  -0.516
  127   1HN   NH2  14          1HN       NH2  14 -11.036  -1.661  -1.185
  128   2HN   NH2  14          2HN       NH2  14 -12.464  -2.373  -0.607