*HEADER    ANTIMICROBIAL PROTEIN                   19-SEP-13   2RTV              
*TITLE     TACHYPLESIN I IN WATER                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TACHYPLESIN-1;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: TACHYPLESIN I;                                              
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: TACHYPLEUS TRIDENTATUS;                         
*SOURCE   4 ORGANISM_COMMON: CHINESE HORSESHOE CRAB,JAPANESE HORSESHOE CRAB;     
*SOURCE   5 ORGANISM_TAXID: 6853;                                                
*SOURCE   6 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*KEYWDS    ANTIMICROBIAL PROTEIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.KUSHIBIKI, M.KAMIYA, T.AIZAWA, Y.KUMAKI, T.KIKUKAWA, M.MIZUGUCHI,   
*AUTHOR   2 M.DEMURA, S.KAWABATA, K.KAWANO                                       
*REVDAT   1   19-FEB-14 2RTV    0                                                


assign (resid 3 and name HA) (resid 3 and name HN) 5.00 3.20 0.00
assign (resid 5 and name HA) (resid 5 and name HN) 5.00 3.20 0.00
assign (resid 6 and name HA) (resid 6 and name HN) 5.00 3.20 0.00
assign (resid 7 and name HA) (resid 7 and name HN) 5.00 3.20 0.00
assign (resid 8 and name HA) (resid 8 and name HN) 5.00 3.20 0.00
assign (resid 9 and name HA) (resid 9 and name HN) 5.00 3.20 0.00
assign (resid 10 and name HA1) (resid 10 and name HN) 5.00 3.20 0.00
assign (resid 10 and name HA2) (resid 10 and name HN) 5.00 3.20 0.00
assign (resid 11 and name HA) (resid 11 and name HN) 5.00 3.20 0.00
assign (resid 12 and name HA) (resid 12 and name HN) 5.00 3.20 0.00
assign (resid 13 and name HA) (resid 13 and name HN) 5.00 3.20 0.00
assign (resid 15 and name HA) (resid 15 and name HN) 5.00 3.20 0.00
assign (resid 16 and name HA) (resid 16 and name HN) 5.00 3.20 0.00
assign (resid 17 and name HA) (resid 17 and name HN) 5.00 3.20 0.00
assign (resid 3 and name HB1) (resid 3 and name HN) 5.00 3.20 0.00
assign (resid 3 and name HB2) (resid 3 and name HN) 5.00 3.20 0.00
assign (resid 4 and name HB#) (resid 4 and name HN) 5.00 3.20 0.00
assign (resid 5 and name HB2) (resid 5 and name HN) 5.00 3.20 0.00
assign (resid 6 and name HB) (resid 6 and name HN) 5.00 3.20 0.00
assign (resid 7 and name HB1) (resid 7 and name HN) 5.00 3.20 0.00
assign (resid 7 and name HB2) (resid 7 and name HN) 5.00 3.20 0.00
assign (resid 8 and name HB#) (resid 8 and name HN) 5.00 3.20 0.00
assign (resid 11 and name HB) (resid 11 and name HN) 5.00 3.20 0.00
assign (resid 12 and name HB1) (resid 12 and name HN) 5.00 3.20 0.00
assign (resid 12 and name HB2) (resid 12 and name HN) 5.00 3.20 0.00
assign (resid 13 and name HB1) (resid 13 and name HN) 5.00 3.20 0.00
assign (resid 14 and name HB#) (resid 14 and name HN) 5.00 3.20 0.00
assign (resid 15 and name HB#) (resid 15 and name HN) 5.00 3.20 0.00
assign (resid 6 and name HG#) (resid 6 and name HN) 5.00 3.20 0.00
assign (resid 9 and name HG1) (resid 9 and name HN) 5.00 3.20 0.00
assign (resid 9 and name HG2) (resid 9 and name HN) 5.00 3.20 0.00
assign (resid 11 and name HG11) (resid 11 and name HN) 5.00 3.20 0.00
assign (resid 11 and name HG12) (resid 11 and name HN) 5.00 3.20 0.00
assign (resid 15 and name HG#) (resid 15 and name HN) 5.00 3.20 0.00
assign (resid 3 and name HB1) (resid 3 and name HA) 5.00 3.20 0.00
assign (resid 5 and name HB1) (resid 5 and name HA) 5.00 3.20 0.00
assign (resid 6 and name HB) (resid 6 and name HA) 5.00 3.20 0.00
assign (resid 7 and name HB1) (resid 7 and name HA) 5.00 3.20 0.00
assign (resid 7 and name HB2) (resid 7 and name HA) 5.00 3.20 0.00
assign (resid 8 and name HB#) (resid 8 and name HA) 6.00 4.20 0.00
assign (resid 9 and name HB2) (resid 9 and name HA) 5.00 3.20 0.00
assign (resid 11 and name HB) (resid 11 and name HA) 5.00 3.20 0.00
assign (resid 12 and name HB1) (resid 12 and name HA) 5.00 3.20 0.00
assign (resid 15 and name HB#) (resid 15 and name HA) 6.00 4.20 0.00
assign (resid 16 and name HB1) (resid 16 and name HA) 5.00 3.20 0.00
assign (resid 9 and name HG2) (resid 9 and name HA) 5.00 3.20 0.00
assign (resid 11 and name HG2#) (resid 11 and name HA) 6.00 4.20 0.00
assign (resid 11 and name HG11) (resid 11 and name HA) 5.00 3.20 0.00
assign (resid 14 and name HG2) (resid 14 and name HA) 5.00 3.20 0.00
assign (resid 15 and name HG#) (resid 15 and name HA) 6.00 4.20 0.00
assign (resid 1 and name HG#) (resid 1 and name HB#) 6.00 4.20 0.00
assign (resid 1 and name HA) (resid 2 and name HN) 3.00 1.20 0.00
assign (resid 2 and name HA) (resid 3 and name HN) 5.00 3.20 0.00
assign (resid 3 and name HA) (resid 4 and name HN) 3.00 1.20 0.00
assign (resid 4 and name HA) (resid 5 and name HN) 3.00 1.20 0.00
assign (resid 5 and name HA) (resid 6 and name HN) 3.00 1.20 0.00
assign (resid 6 and name HA) (resid 7 and name HN) 3.00 1.20 0.00
assign (resid 7 and name HA) (resid 8 and name HN) 3.00 1.20 0.00
assign (resid 8 and name HA) (resid 9 and name HN) 5.00 3.20 0.00
assign (resid 9 and name HA) (resid 10 and name HN) 5.00 3.20 0.00
assign (resid 10 and name HA1) (resid 11 and name HN) 5.00 3.20 0.00
assign (resid 10 and name HA2) (resid 11 and name HN) 5.00 3.20 0.00
assign (resid 11 and name HA) (resid 12 and name HN) 3.00 1.20 0.00
assign (resid 12 and name HA) (resid 13 and name HN) 3.00 1.20 0.00
assign (resid 13 and name HA) (resid 14 and name HN) 3.00 1.20 0.00
assign (resid 14 and name HA) (resid 15 and name HN) 3.00 1.20 0.00
assign (resid 15 and name HA) (resid 16 and name HN) 3.00 1.20 0.00
assign (resid 16 and name HA) (resid 17 and name HN) 3.00 1.20 0.00
assign (resid 2 and name HB#) (resid 3 and name HN) 6.00 4.20 0.00
assign (resid 3 and name HB1) (resid 4 and name HN) 5.00 3.20 0.00
assign (resid 4 and name HB#) (resid 5 and name HN) 6.00 4.20 0.00
assign (resid 5 and name HB2) (resid 6 and name HN) 5.00 3.20 0.00
assign (resid 6 and name HB) (resid 7 and name HN) 5.00 3.20 0.00
assign (resid 7 and name HB1) (resid 8 and name HN) 5.00 3.20 0.00
assign (resid 7 and name HB2) (resid 8 and name HN) 5.00 3.20 0.00
assign (resid 8 and name HB#) (resid 9 and name HN) 6.00 4.20 0.00
assign (resid 9 and name HB1) (resid 10 and name HN) 5.00 3.20 0.00
assign (resid 9 and name HB2) (resid 10 and name HN) 5.00 3.20 0.00
assign (resid 12 and name HB1) (resid 13 and name HN) 5.00 3.20 0.00
assign (resid 13 and name HB1) (resid 14 and name HN) 5.00 3.20 0.00
assign (resid 13 and name HB2) (resid 14 and name HN) 5.00 3.20 0.00
assign (resid 15 and name HB#) (resid 16 and name HN) 6.00 4.20 0.00
assign (resid 16 and name HB1) (resid 17 and name HN) 5.00 3.20 0.00
assign (resid 4 and name HN) (resid 15 and name HN) 4.00 2.20 0.00
assign (resid 6 and name HN) (resid 13 and name HN) 4.00 2.20 0.00
assign (resid 8 and name HN) (resid 11 and name HN) 4.00 2.20 0.00
assign (resid 11 and name HN) (resid 10 and name HN) 3.00 1.20 0.00
assign (resid 10 and name HN) (resid 9 and name HN) 3.00 1.20 0.00
assign (resid 7 and name HA) (resid 12 and name HA) 3.00 1.20 0.00
assign (resid 5 and name HA) (resid 14 and name HA) 3.00 1.20 0.00
assign (resid 3 and name HA) (resid 16 and name HA) 3.00 1.20 0.00
assign (resid 16 and name HA) (resid 4 and name HN) 4.00 2.20 0.00
assign (resid 14 and name HA) (resid 6 and name HN) 4.00 2.20 0.00
assign (resid 12 and name HA) (resid 8 and name HN) 4.00 2.20 0.00
assign (resid 7 and name HA) (resid 13 and name HN) 5.00 3.20 0.00
assign (resid 5 and name HA) (resid 15 and name HN) 5.00 3.20 0.00
assign (resid 2 and name HA) (resid 2 and name HD1) 5.00 3.20 0.00
assign (resid 2 and name HB#) (resid 2 and name HD1) 6.00 4.20 0.00
assign (resid 2 and name HB#) (resid 2 and name HE3) 6.00 4.20 0.00
assign (resid 2 and name HD1) (resid 2 and name HE1) 5.00 3.20 0.00
assign (resid 4 and name HB#) (resid 4 and name HZ) 6.00 4.20 0.00
assign (resid 8 and name HB#) (resid 8 and name HD#) 6.00 4.20 0.00
assign (resid 13 and name HB1) (resid 13 and name HD#) 6.00 4.20 0.00
assign (resid 13 and name HB1) (resid 13 and name HE#) 6.00 4.20 0.00
assign (resid 13 and name HB2) (resid 13 and name HD#) 6.00 4.20 0.00
assign (resid 13 and name HB2) (resid 13 and name HE#) 6.00 4.20 0.00
assign (resid 13 and name HD#) (resid 13 and name HN) 6.00 4.20 0.00
assign (resid 13 and name HA) (resid 13 and name HD#) 6.00 4.20 0.00
assign (resid 17 and name HA) (resid 18 and name HN1) 5.00 3.20 0.00
assign (resid 17 and name HA) (resid 18 and name HN2) 5.00 3.20 0.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           HT1      LYS   1 -13.983  -3.127  -0.205
    2    H2   LYS   1           HT2      LYS   1 -13.344  -2.903  -1.782
    3    H3   LYS   1           HT3      LYS   1 -14.727  -2.019  -1.280
    4    HA   LYS   1           HA       LYS   1 -12.572  -0.807  -1.313
    5    HB2  LYS   1           HB2      LYS   1 -14.381  -1.042   1.086
    6    HB3  LYS   1           HB1      LYS   1 -13.118   0.178   0.999
    7    HG2  LYS   1           HG2      LYS   1 -14.184   1.368  -0.638
    8    HG3  LYS   1           HG1      LYS   1 -15.044  -0.043  -1.257
    9    HD2  LYS   1           HD2      LYS   1 -16.802   0.880  -0.188
   10    HD3  LYS   1           HD1      LYS   1 -16.085   0.116   1.232
   11    HE2  LYS   1           HE2      LYS   1 -15.745   2.972   0.328
   12    HE3  LYS   1           HE1      LYS   1 -16.605   2.403   1.758
   13    HZ1  LYS   1           HZ1      LYS   1 -13.693   2.433   1.258
   14    HZ2  LYS   1           HZ2      LYS   1 -14.370   1.436   2.445
   15    HZ3  LYS   1           HZ3      LYS   1 -14.550   3.115   2.548
   16    H    TRP   2           HN       TRP   2 -10.662  -2.017  -1.339
   17    HA   TRP   2           HA       TRP   2  -9.749  -3.050   1.260
   18    HB2  TRP   2           HB2      TRP   2  -8.579  -3.631  -1.466
   19    HB3  TRP   2           HB1      TRP   2  -8.187  -4.435   0.050
   20    HD1  TRP   2           HD1      TRP   2 -10.303  -5.901   1.158
   21    HE1  TRP   2           HE1      TRP   2 -12.063  -7.328  -0.064
   22    HE3  TRP   2           HE3      TRP   2  -9.872  -3.891  -3.523
   23    HZ2  TRP   2           HZ2      TRP   2 -13.127  -7.569  -2.667
   24    HZ3  TRP   2           HZ3      TRP   2 -11.297  -4.777  -5.323
   25    HH2  TRP   2           HH2      TRP   2 -12.890  -6.578  -4.902
   26    H    CYS   3           HN       CYS   3  -8.485  -1.706   2.348
   27    HA   CYS   3           HA       CYS   3  -6.717   0.104   0.839
   28    HB2  CYS   3           HB2      CYS   3  -8.535   1.069   2.375
   29    HB3  CYS   3           HB1      CYS   3  -7.546   0.489   3.710
   30    H    PHE   4           HN       PHE   4  -4.655  -0.464   0.848
   31    HA   PHE   4           HA       PHE   4  -3.468  -1.510   3.310
   32    HB2  PHE   4           HB2      PHE   4  -3.484  -2.872   0.635
   33    HB3  PHE   4           HB1      PHE   4  -2.137  -3.112   1.742
   34    HD1  PHE   4           HD1      PHE   4  -5.783  -3.526   1.341
   35    HD2  PHE   4           HD2      PHE   4  -2.326  -4.541   3.605
   36    HE1  PHE   4           HE1      PHE   4  -7.070  -5.259   2.522
   37    HE2  PHE   4           HE2      PHE   4  -3.606  -6.277   4.789
   38    HZ   PHE   4           HZ       PHE   4  -5.981  -6.638   4.248
   39    H    ARG   5           HN       ARG   5  -1.983  -0.028   3.783
   40    HA   ARG   5           HA       ARG   5  -0.364   1.093   1.595
   41    HB2  ARG   5           HB2      ARG   5   0.140   2.941   3.193
   42    HB3  ARG   5           HB1      ARG   5  -1.561   2.818   2.765
   43    HG2  ARG   5           HG2      ARG   5  -0.804   1.310   5.159
   44    HG3  ARG   5           HG1      ARG   5  -0.602   3.058   5.293
   45    HD2  ARG   5           HD2      ARG   5  -3.037   2.911   4.115
   46    HD3  ARG   5           HD1      ARG   5  -3.051   1.442   5.090
   47    HE   ARG   5           HE       ARG   5  -2.208   3.321   6.835
   48   HH11  ARG   5          HH11      ARG   5  -4.941   3.145   4.672
   49   HH12  ARG   5          HH12      ARG   5  -5.962   4.112   5.682
   50   HH21  ARG   5          HH21      ARG   5  -3.549   4.593   8.166
   51   HH22  ARG   5          HH22      ARG   5  -5.172   4.935   7.665
   52    H    VAL   6           HN       VAL   6   1.748   0.666   1.515
   53    HA   VAL   6           HA       VAL   6   3.173  -0.134   3.932
   54    HB   VAL   6           HB       VAL   6   4.206  -2.078   2.773
   55   HG11  VAL   6          HG11      VAL   6   2.244  -3.579   3.013
   56   HG12  VAL   6          HG12      VAL   6   1.217  -2.152   3.160
   57   HG13  VAL   6          HG13      VAL   6   2.455  -2.476   4.373
   58   HG21  VAL   6          HG21      VAL   6   3.639  -1.281   0.469
   59   HG22  VAL   6          HG22      VAL   6   1.974  -1.776   0.771
   60   HG23  VAL   6          HG23      VAL   6   3.265  -2.977   0.771
   61    H    CYS   7           HN       CYS   7   5.344   0.335   3.899
   62    HA   CYS   7           HA       CYS   7   6.406   1.531   1.427
   63    HB2  CYS   7           HB2      CYS   7   5.731   3.018   3.592
   64    HB3  CYS   7           HB1      CYS   7   7.403   2.630   3.985
   65    H    TYR   8           HN       TYR   8   8.161   0.514   0.743
   66    HA   TYR   8           HA       TYR   8   9.984  -0.659   2.731
   67    HB2  TYR   8           HB2      TYR   8   8.373  -2.193   1.161
   68    HB3  TYR   8           HB1      TYR   8   9.807  -2.072   0.146
   69    HD1  TYR   8           HD2      TYR   8   8.504  -3.259   3.378
   70    HD2  TYR   8           HD1      TYR   8  11.852  -3.174   0.754
   71    HE1  TYR   8           HE2      TYR   8   9.582  -5.026   4.705
   72    HE2  TYR   8           HE1      TYR   8  12.939  -4.941   2.074
   73    HH   TYR   8           HH       TYR   8  11.878  -6.913   3.736
   74    H    ARG   9           HN       ARG   9  12.188  -0.907   2.003
   75    HA   ARG   9           HA       ARG   9  13.211   1.357   0.735
   76    HB2  ARG   9           HB2      ARG   9  14.288  -0.639   2.210
   77    HB3  ARG   9           HB1      ARG   9  14.868  -1.090   0.613
   78    HG2  ARG   9           HG2      ARG   9  16.143   0.821   0.390
   79    HG3  ARG   9           HG1      ARG   9  15.196   1.715   1.580
   80    HD2  ARG   9           HD2      ARG   9  16.158  -0.325   3.092
   81    HD3  ARG   9           HD1      ARG   9  17.480  -0.096   1.949
   82    HE   ARG   9           HE       ARG   9  16.572   2.366   3.082
   83   HH11  ARG   9          HH11      ARG   9  18.603  -0.416   3.644
   84   HH12  ARG   9          HH12      ARG   9  19.652   0.416   4.742
   85   HH21  ARG   9          HH21      ARG   9  17.952   3.462   4.525
   86   HH22  ARG   9          HH22      ARG   9  19.283   2.618   5.242
   87    H    GLY  10           HN       GLY  10  12.199  -1.720  -0.564
   88    HA2  GLY  10           HA2      GLY  10  13.341  -1.097  -3.183
   89    HA3  GLY  10           HA1      GLY  10  12.576  -2.609  -2.718
   90    H    ILE  11           HN       ILE  11  10.276  -1.100  -1.537
   91    HA   ILE  11           HA       ILE  11   9.046   0.141  -3.862
   92    HB   ILE  11           HB       ILE  11   7.008  -1.344  -3.606
   93   HG12  ILE  11          HG12      ILE  11   9.024  -3.102  -2.187
   94   HG13  ILE  11          HG11      ILE  11   7.609  -2.354  -1.452
   95   HG21  ILE  11          HG21      ILE  11   7.875  -3.037  -5.104
   96   HG22  ILE  11          HG22      ILE  11   9.527  -2.660  -4.614
   97   HG23  ILE  11          HG23      ILE  11   8.575  -1.467  -5.500
   98   HD11  ILE  11          HD11      ILE  11   6.586  -4.281  -1.875
   99   HD12  ILE  11          HD12      ILE  11   7.838  -4.797  -3.005
  100   HD13  ILE  11          HD13      ILE  11   6.534  -3.745  -3.554
  101    H    CYS  12           HN       CYS  12   8.031   1.891  -3.162
  102    HA   CYS  12           HA       CYS  12   6.690   1.803  -0.545
  103    HB2  CYS  12           HB2      CYS  12   8.818   3.608  -1.464
  104    HB3  CYS  12           HB1      CYS  12   7.427   4.436  -0.772
  105    H    TYR  13           HN       TYR  13   4.590   1.881  -1.027
  106    HA   TYR  13           HA       TYR  13   3.528   4.185  -2.377
  107    HB2  TYR  13           HB2      TYR  13   2.198   2.728  -4.006
  108    HB3  TYR  13           HB1      TYR  13   3.900   2.985  -4.375
  109    HD1  TYR  13           HD1      TYR  13   1.784   0.566  -2.457
  110    HD2  TYR  13           HD2      TYR  13   5.103   1.142  -5.055
  111    HE1  TYR  13           HE1      TYR  13   2.122  -1.867  -2.555
  112    HE2  TYR  13           HE2      TYR  13   5.450  -1.290  -5.161
  113    HH   TYR  13           HH       TYR  13   4.179  -3.348  -4.827
  114    H    ARG  14           HN       ARG  14   1.129   4.187  -2.359
  115    HA   ARG  14           HA       ARG  14   0.072   2.506  -0.181
  116    HB2  ARG  14           HB2      ARG  14  -1.443   4.507   0.296
  117    HB3  ARG  14           HB1      ARG  14   0.245   4.654   0.766
  118    HG2  ARG  14           HG2      ARG  14  -0.523   5.640  -1.922
  119    HG3  ARG  14           HG1      ARG  14  -1.038   6.577  -0.518
  120    HD2  ARG  14           HD2      ARG  14   1.268   6.717   0.252
  121    HD3  ARG  14           HD1      ARG  14   1.797   5.734  -1.112
  122    HE   ARG  14           HE       ARG  14   0.391   8.091  -1.924
  123   HH11  ARG  14          HH11      ARG  14   3.496   6.857  -0.919
  124   HH12  ARG  14          HH12      ARG  14   4.391   8.104  -1.721
  125   HH21  ARG  14          HH21      ARG  14   1.566   9.731  -2.981
  126   HH22  ARG  14          HH22      ARG  14   3.295   9.736  -2.891
  127    H    ARG  15           HN       ARG  15  -1.933   1.625  -0.444
  128    HA   ARG  15           HA       ARG  15  -3.308   2.194  -2.987
  129    HB2  ARG  15           HB2      ARG  15  -2.177   0.003  -3.035
  130    HB3  ARG  15           HB1      ARG  15  -3.070  -0.483  -1.600
  131    HG2  ARG  15           HG2      ARG  15  -4.021  -1.410  -3.661
  132    HG3  ARG  15           HG1      ARG  15  -5.157  -0.361  -2.809
  133    HD2  ARG  15           HD2      ARG  15  -4.956   1.341  -4.378
  134    HD3  ARG  15           HD1      ARG  15  -3.414   0.735  -4.981
  135    HE   ARG  15           HE       ARG  15  -6.034  -0.044  -5.843
  136   HH11  ARG  15          HH11      ARG  15  -2.715  -1.082  -5.554
  137   HH12  ARG  15          HH12      ARG  15  -2.834  -2.240  -6.836
  138   HH21  ARG  15          HH21      ARG  15  -6.194  -1.567  -7.529
  139   HH22  ARG  15          HH22      ARG  15  -4.809  -2.515  -7.957
  140    H    CYS  16           HN       CYS  16  -5.249   3.040  -2.683
  141    HA   CYS  16           HA       CYS  16  -7.087   1.937  -0.770
  142    HB2  CYS  16           HB2      CYS  16  -5.506   3.794   0.334
  143    HB3  CYS  16           HB1      CYS  16  -6.708   4.861  -0.382
  144    H    ARG  17           HN       ARG  17  -8.101   1.576  -2.851
  145    HA   ARG  17           HA       ARG  17  -9.544   3.965  -3.792
  146    HB2  ARG  17           HB2      ARG  17  -7.717   2.836  -5.330
  147    HB3  ARG  17           HB1      ARG  17  -9.013   1.694  -5.658
  148    HG2  ARG  17           HG2      ARG  17  -9.742   4.538  -5.864
  149    HG3  ARG  17           HG1      ARG  17  -8.595   3.946  -7.067
  150    HD2  ARG  17           HD2      ARG  17 -10.447   1.949  -7.043
  151    HD3  ARG  17           HD1      ARG  17 -11.451   3.363  -6.725
  152    HE   ARG  17           HE       ARG  17 -10.193   2.670  -9.191
  153   HH11  ARG  17          HH11      ARG  17 -11.248   5.365  -7.241
  154   HH12  ARG  17          HH12      ARG  17 -11.445   6.428  -8.594
  155   HH21  ARG  17          HH21      ARG  17 -10.451   4.067 -10.972
  156   HH22  ARG  17          HH22      ARG  17 -10.993   5.692 -10.712
  157    HN1  NH2  18           HN1      NH2  18 -10.375   2.107  -1.776
  158    HN2  NH2  18           HN2      NH2  18 -11.791   1.308  -2.361
  Start of MODEL    2
    1    H1   LYS   1           HT1      LYS   1 -11.004  -4.537   4.789
    2    H2   LYS   1           HT2      LYS   1  -9.969  -4.619   6.155
    3    H3   LYS   1           HT3      LYS   1  -9.383  -5.063   4.605
    4    HA   LYS   1           HA       LYS   1 -10.037  -2.409   5.653
    5    HB2  LYS   1           HB2      LYS   1  -7.642  -3.431   4.125
    6    HB3  LYS   1           HB1      LYS   1  -7.774  -1.931   5.034
    7    HG2  LYS   1           HG2      LYS   1  -7.829  -4.699   6.218
    8    HG3  LYS   1           HG1      LYS   1  -6.439  -3.611   6.208
    9    HD2  LYS   1           HD2      LYS   1  -7.391  -2.170   7.743
   10    HD3  LYS   1           HD1      LYS   1  -9.035  -2.685   7.362
   11    HE2  LYS   1           HE2      LYS   1  -8.116  -3.437   9.597
   12    HE3  LYS   1           HE1      LYS   1  -8.790  -4.697   8.566
   13    HZ1  LYS   1           HZ1      LYS   1  -6.494  -5.016   9.725
   14    HZ2  LYS   1           HZ2      LYS   1  -5.916  -4.130   8.406
   15    HZ3  LYS   1           HZ3      LYS   1  -6.741  -5.585   8.150
   16    H    TRP   2           HN       TRP   2 -10.100  -0.660   4.177
   17    HA   TRP   2           HA       TRP   2 -11.078  -1.435   1.521
   18    HB2  TRP   2           HB2      TRP   2 -11.934   0.971   1.499
   19    HB3  TRP   2           HB1      TRP   2 -12.705  -0.133   2.634
   20    HD1  TRP   2           HD1      TRP   2  -9.339   1.603   3.327
   21    HE1  TRP   2           HE1      TRP   2  -9.630   3.142   5.369
   22    HE3  TRP   2           HE3      TRP   2 -14.384   1.119   3.998
   23    HZ2  TRP   2           HZ2      TRP   2 -11.720   4.032   7.044
   24    HZ3  TRP   2           HZ3      TRP   2 -15.451   2.348   5.843
   25    HH2  TRP   2           HH2      TRP   2 -14.146   3.774   7.334
   26    H    CYS   3           HN       CYS   3  -8.238  -1.301   2.218
   27    HA   CYS   3           HA       CYS   3  -7.368   0.265  -0.028
   28    HB2  CYS   3           HB2      CYS   3  -6.873   1.176   2.771
   29    HB3  CYS   3           HB1      CYS   3  -5.583   1.379   1.590
   30    H    PHE   4           HN       PHE   4  -4.755   0.280   0.116
   31    HA   PHE   4           HA       PHE   4  -3.783  -2.247   1.191
   32    HB2  PHE   4           HB2      PHE   4  -4.677  -2.251  -1.371
   33    HB3  PHE   4           HB1      PHE   4  -2.997  -1.784  -1.621
   34    HD1  PHE   4           HD1      PHE   4  -4.867  -4.242   0.482
   35    HD2  PHE   4           HD2      PHE   4  -1.577  -3.505  -2.114
   36    HE1  PHE   4           HE1      PHE   4  -4.190  -6.599   0.679
   37    HE2  PHE   4           HE2      PHE   4  -0.893  -5.861  -1.923
   38    HZ   PHE   4           HZ       PHE   4  -2.200  -7.412  -0.526
   39    H    ARG   5           HN       ARG   5  -2.219  -1.413   2.445
   40    HA   ARG   5           HA       ARG   5  -0.434   0.626   1.331
   41    HB2  ARG   5           HB2      ARG   5   0.326   0.965   3.629
   42    HB3  ARG   5           HB1      ARG   5  -1.424   1.100   3.523
   43    HG2  ARG   5           HG2      ARG   5  -1.125  -1.534   4.118
   44    HG3  ARG   5           HG1      ARG   5   0.238  -0.820   4.982
   45    HD2  ARG   5           HD2      ARG   5  -2.225   0.702   5.297
   46    HD3  ARG   5           HD1      ARG   5  -2.372  -0.958   5.872
   47    HE   ARG   5           HE       ARG   5  -0.924  -0.469   7.586
   48   HH11  ARG   5          HH11      ARG   5  -0.863   2.127   5.254
   49   HH12  ARG   5          HH12      ARG   5   0.058   3.185   6.270
   50   HH21  ARG   5          HH21      ARG   5   0.287   0.920   8.922
   51   HH22  ARG   5          HH22      ARG   5   0.711   2.500   8.351
   52    H    VAL   6           HN       VAL   6   1.264  -0.166   0.277
   53    HA   VAL   6           HA       VAL   6   2.680  -2.474   1.449
   54    HB   VAL   6           HB       VAL   6   3.476  -2.928  -0.917
   55   HG11  VAL   6          HG11      VAL   6   2.022  -4.553  -0.322
   56   HG12  VAL   6          HG12      VAL   6   0.996  -3.762  -1.519
   57   HG13  VAL   6          HG13      VAL   6   0.784  -3.407   0.195
   58   HG21  VAL   6          HG21      VAL   6   2.356  -0.537  -1.515
   59   HG22  VAL   6          HG22      VAL   6   1.070  -1.636  -2.009
   60   HG23  VAL   6          HG23      VAL   6   2.684  -1.802  -2.698
   61    H    CYS   7           HN       CYS   7   4.218  -1.335   2.576
   62    HA   CYS   7           HA       CYS   7   5.883   0.556   1.065
   63    HB2  CYS   7           HB2      CYS   7   4.749   0.977   3.446
   64    HB3  CYS   7           HB1      CYS   7   6.229   0.202   4.001
   65    H    TYR   8           HN       TYR   8   7.703  -0.217   0.253
   66    HA   TYR   8           HA       TYR   8   8.943  -2.566   1.500
   67    HB2  TYR   8           HB2      TYR   8   9.275  -1.357  -1.251
   68    HB3  TYR   8           HB1      TYR   8  10.217  -2.720  -0.656
   69    HD1  TYR   8           HD1      TYR   8   6.800  -1.609  -1.540
   70    HD2  TYR   8           HD2      TYR   8   9.328  -4.918  -0.670
   71    HE1  TYR   8           HE1      TYR   8   5.039  -3.147  -2.300
   72    HE2  TYR   8           HE2      TYR   8   7.575  -6.465  -1.429
   73    HH   TYR   8           HH       TYR   8   5.186  -6.525  -1.754
   74    H    ARG   9           HN       ARG   9  11.224  -2.636   1.823
   75    HA   ARG   9           HA       ARG   9  12.306  -0.411   3.093
   76    HB2  ARG   9           HB2      ARG   9  13.403  -2.997   2.099
   77    HB3  ARG   9           HB1      ARG   9  14.545  -1.745   2.565
   78    HG2  ARG   9           HG2      ARG   9  13.618  -1.664   4.788
   79    HG3  ARG   9           HG1      ARG   9  12.356  -2.810   4.337
   80    HD2  ARG   9           HD2      ARG   9  13.753  -4.591   4.429
   81    HD3  ARG   9           HD1      ARG   9  15.141  -3.668   3.856
   82    HE   ARG   9           HE       ARG   9  14.362  -2.901   6.489
   83   HH11  ARG   9          HH11      ARG   9  16.106  -5.325   4.681
   84   HH12  ARG   9          HH12      ARG   9  17.137  -5.749   6.005
   85   HH21  ARG   9          HH21      ARG   9  15.719  -3.458   8.232
   86   HH22  ARG   9          HH22      ARG   9  16.919  -4.690   8.021
   87    H    GLY  10           HN       GLY  10  12.388  -1.344  -0.265
   88    HA2  GLY  10           HA2      GLY  10  14.471   0.564  -0.927
   89    HA3  GLY  10           HA1      GLY  10  13.605  -0.471  -2.053
   90    H    ILE  11           HN       ILE  11  10.968   0.321  -1.205
   91    HA   ILE  11           HA       ILE  11  10.777   3.178  -1.558
   92    HB   ILE  11           HB       ILE  11   9.351   2.992  -3.608
   93   HG12  ILE  11          HG12      ILE  11  10.193   0.800  -4.938
   94   HG13  ILE  11          HG11      ILE  11  10.169   0.160  -3.298
   95   HG21  ILE  11          HG21      ILE  11  11.727   3.732  -3.621
   96   HG22  ILE  11          HG22      ILE  11  11.192   3.009  -5.138
   97   HG23  ILE  11          HG23      ILE  11  12.191   2.077  -4.022
   98   HD11  ILE  11          HD11      ILE  11   8.075  -0.332  -4.270
   99   HD12  ILE  11          HD12      ILE  11   7.882   1.319  -4.858
  100   HD13  ILE  11          HD13      ILE  11   7.805   0.984  -3.129
  101    H    CYS  12           HN       CYS  12   8.386   3.812  -1.816
  102    HA   CYS  12           HA       CYS  12   6.688   1.922  -0.327
  103    HB2  CYS  12           HB2      CYS  12   7.665   4.033   0.913
  104    HB3  CYS  12           HB1      CYS  12   6.372   4.872   0.063
  105    H    TYR  13           HN       TYR  13   4.431   2.067  -0.720
  106    HA   TYR  13           HA       TYR  13   3.463   3.820  -2.804
  107    HB2  TYR  13           HB2      TYR  13   4.514   1.906  -4.033
  108    HB3  TYR  13           HB1      TYR  13   3.369   0.828  -3.241
  109    HD1  TYR  13           HD1      TYR  13   3.632   3.696  -5.574
  110    HD2  TYR  13           HD2      TYR  13   1.177   0.561  -4.074
  111    HE1  TYR  13           HE1      TYR  13   1.998   4.129  -7.361
  112    HE2  TYR  13           HE2      TYR  13  -0.462   0.984  -5.858
  113    HH   TYR  13           HH       TYR  13  -0.304   2.055  -8.289
  114    H    ARG  14           HN       ARG  14   1.112   3.528  -3.176
  115    HA   ARG  14           HA       ARG  14  -0.276   2.154  -0.994
  116    HB2  ARG  14           HB2      ARG  14  -0.737   5.049  -1.738
  117    HB3  ARG  14           HB1      ARG  14  -1.687   4.129  -0.580
  118    HG2  ARG  14           HG2      ARG  14   0.137   3.972   0.927
  119    HG3  ARG  14           HG1      ARG  14   1.266   4.595  -0.278
  120    HD2  ARG  14           HD2      ARG  14   0.931   6.552   0.778
  121    HD3  ARG  14           HD1      ARG  14  -0.536   6.607  -0.198
  122    HE   ARG  14           HE       ARG  14  -1.307   5.271   2.030
  123   HH11  ARG  14          HH11      ARG  14   0.285   8.329   1.492
  124   HH12  ARG  14          HH12      ARG  14  -0.372   9.064   2.916
  125   HH21  ARG  14          HH21      ARG  14  -2.172   6.236   3.903
  126   HH22  ARG  14          HH22      ARG  14  -1.768   7.875   4.285
  127    H    ARG  15           HN       ARG  15  -2.545   1.803  -1.395
  128    HA   ARG  15           HA       ARG  15  -3.471   2.265  -4.124
  129    HB2  ARG  15           HB2      ARG  15  -2.266  -0.018  -3.857
  130    HB3  ARG  15           HB1      ARG  15  -3.707  -0.498  -2.971
  131    HG2  ARG  15           HG2      ARG  15  -4.451  -1.141  -4.979
  132    HG3  ARG  15           HG1      ARG  15  -4.808   0.573  -5.204
  133    HD2  ARG  15           HD2      ARG  15  -2.052  -0.220  -5.842
  134    HD3  ARG  15           HD1      ARG  15  -3.288  -0.921  -6.885
  135    HE   ARG  15           HE       ARG  15  -2.462   1.830  -6.778
  136   HH11  ARG  15          HH11      ARG  15  -5.053  -0.347  -7.628
  137   HH12  ARG  15          HH12      ARG  15  -5.769   0.748  -8.763
  138   HH21  ARG  15          HH21      ARG  15  -3.401   3.271  -8.270
  139   HH22  ARG  15          HH22      ARG  15  -4.831   2.802  -9.128
  140    H    CYS  16           HN       CYS  16  -5.470   3.027  -4.040
  141    HA   CYS  16           HA       CYS  16  -7.405   1.901  -2.195
  142    HB2  CYS  16           HB2      CYS  16  -6.637   4.825  -2.122
  143    HB3  CYS  16           HB1      CYS  16  -8.070   4.157  -1.347
  144    H    ARG  17           HN       ARG  17  -9.510   2.114  -2.884
  145    HA   ARG  17           HA       ARG  17  -9.848   2.876  -5.649
  146    HB2  ARG  17           HB2      ARG  17 -12.001   1.952  -3.749
  147    HB3  ARG  17           HB1      ARG  17 -12.004   1.866  -5.504
  148    HG2  ARG  17           HG2      ARG  17  -9.828   0.393  -5.009
  149    HG3  ARG  17           HG1      ARG  17 -10.727   0.096  -3.519
  150    HD2  ARG  17           HD2      ARG  17 -12.712  -0.462  -4.977
  151    HD3  ARG  17           HD1      ARG  17 -11.606  -0.430  -6.349
  152    HE   ARG  17           HE       ARG  17 -10.768  -2.455  -5.682
  153   HH11  ARG  17          HH11      ARG  17 -12.649  -1.091  -3.078
  154   HH12  ARG  17          HH12      ARG  17 -12.593  -2.530  -2.116
  155   HH21  ARG  17          HH21      ARG  17 -10.694  -4.350  -4.419
  156   HH22  ARG  17          HH22      ARG  17 -11.484  -4.380  -2.877
  157    HN1  NH2  18           HN1      NH2  18 -10.618   4.752  -6.365
  158    HN2  NH2  18           HN2      NH2  18 -11.417   5.952  -5.413
  Start of MODEL    3
    1    H1   LYS   1           HT1      LYS   1 -12.936  -4.753  -1.273
    2    H2   LYS   1           HT2      LYS   1 -11.883  -5.594  -2.336
    3    H3   LYS   1           HT3      LYS   1 -11.825  -3.881  -2.244
    4    HA   LYS   1           HA       LYS   1 -11.281  -5.629   0.049
    5    HB2  LYS   1           HB2      LYS   1  -9.792  -6.042  -1.965
    6    HB3  LYS   1           HB1      LYS   1  -9.251  -4.377  -1.805
    7    HG2  LYS   1           HG2      LYS   1  -8.189  -4.793   0.233
    8    HG3  LYS   1           HG1      LYS   1  -9.064  -6.306   0.480
    9    HD2  LYS   1           HD2      LYS   1  -7.874  -7.174  -1.580
   10    HD3  LYS   1           HD1      LYS   1  -6.854  -5.737  -1.485
   11    HE2  LYS   1           HE2      LYS   1  -5.726  -6.497   0.320
   12    HE3  LYS   1           HE1      LYS   1  -7.150  -7.269   1.016
   13    HZ1  LYS   1           HZ1      LYS   1  -5.156  -8.654   0.021
   14    HZ2  LYS   1           HZ2      LYS   1  -6.030  -8.447  -1.412
   15    HZ3  LYS   1           HZ3      LYS   1  -6.755  -9.198  -0.081
   16    H    TRP   2           HN       TRP   2  -9.852  -4.440   1.588
   17    HA   TRP   2           HA       TRP   2 -10.882  -1.753   1.952
   18    HB2  TRP   2           HB2      TRP   2  -9.383  -3.700   3.666
   19    HB3  TRP   2           HB1      TRP   2  -9.405  -1.996   4.108
   20    HD1  TRP   2           HD1      TRP   2 -11.307  -5.091   4.618
   21    HE1  TRP   2           HE1      TRP   2 -13.630  -4.592   5.604
   22    HE3  TRP   2           HE3      TRP   2 -11.467  -0.046   3.804
   23    HZ2  TRP   2           HZ2      TRP   2 -15.309  -2.355   5.988
   24    HZ3  TRP   2           HZ3      TRP   2 -13.468   1.199   4.511
   25    HH2  TRP   2           HH2      TRP   2 -15.350   0.067   5.579
   26    H    CYS   3           HN       CYS   3  -9.277  -0.088   2.836
   27    HA   CYS   3           HA       CYS   3  -7.197   0.230   0.853
   28    HB2  CYS   3           HB2      CYS   3  -8.220   2.012   3.065
   29    HB3  CYS   3           HB1      CYS   3  -6.869   2.455   2.026
   30    H    PHE   4           HN       PHE   4  -5.043   0.071   1.159
   31    HA   PHE   4           HA       PHE   4  -3.955  -0.101   3.852
   32    HB2  PHE   4           HB2      PHE   4  -2.686  -2.212   3.179
   33    HB3  PHE   4           HB1      PHE   4  -4.397  -2.405   3.546
   34    HD1  PHE   4           HD1      PHE   4  -1.887  -2.329   0.866
   35    HD2  PHE   4           HD2      PHE   4  -5.962  -3.054   1.863
   36    HE1  PHE   4           HE1      PHE   4  -2.233  -3.382  -1.330
   37    HE2  PHE   4           HE2      PHE   4  -6.314  -4.110  -0.331
   38    HZ   PHE   4           HZ       PHE   4  -4.448  -4.275  -1.931
   39    H    ARG   5           HN       ARG   5  -1.565  -0.119   3.847
   40    HA   ARG   5           HA       ARG   5  -0.400   0.952   1.372
   41    HB2  ARG   5           HB2      ARG   5  -0.556   2.258   4.040
   42    HB3  ARG   5           HB1      ARG   5   0.939   2.445   3.136
   43    HG2  ARG   5           HG2      ARG   5  -0.134   4.244   2.313
   44    HG3  ARG   5           HG1      ARG   5  -0.812   3.049   1.206
   45    HD2  ARG   5           HD2      ARG   5  -2.769   3.947   1.891
   46    HD3  ARG   5           HD1      ARG   5  -2.555   2.825   3.235
   47    HE   ARG   5           HE       ARG   5  -1.309   5.321   3.769
   48   HH11  ARG   5          HH11      ARG   5  -4.421   3.745   3.669
   49   HH12  ARG   5          HH12      ARG   5  -5.135   4.806   4.836
   50   HH21  ARG   5          HH21      ARG   5  -2.247   6.718   5.304
   51   HH22  ARG   5          HH22      ARG   5  -3.901   6.495   5.764
   52    H    VAL   6           HN       VAL   6   1.639   0.283   0.937
   53    HA   VAL   6           HA       VAL   6   3.039  -1.266   3.014
   54    HB   VAL   6           HB       VAL   6   2.014  -2.815   1.409
   55   HG11  VAL   6          HG11      VAL   6   2.212  -1.063  -0.489
   56   HG12  VAL   6          HG12      VAL   6   2.368  -2.776  -0.879
   57   HG13  VAL   6          HG13      VAL   6   3.808  -1.766  -0.743
   58   HG21  VAL   6          HG21      VAL   6   5.018  -2.616   1.236
   59   HG22  VAL   6          HG22      VAL   6   4.078  -4.031   0.763
   60   HG23  VAL   6          HG23      VAL   6   4.080  -3.495   2.442
   61    H    CYS   7           HN       CYS   7   4.837  -0.198   3.503
   62    HA   CYS   7           HA       CYS   7   6.290   1.187   1.350
   63    HB2  CYS   7           HB2      CYS   7   5.387   2.365   3.543
   64    HB3  CYS   7           HB1      CYS   7   6.869   1.711   4.232
   65    H    TYR   8           HN       TYR   8   8.189   0.399   0.734
   66    HA   TYR   8           HA       TYR   8   9.702  -1.282   2.614
   67    HB2  TYR   8           HB2      TYR   8   8.428  -2.171   0.254
   68    HB3  TYR   8           HB1      TYR   8  10.153  -2.140  -0.094
   69    HD1  TYR   8           HD1      TYR   8  11.673  -3.233   1.768
   70    HD2  TYR   8           HD2      TYR   8   7.532  -4.057   1.244
   71    HE1  TYR   8           HE1      TYR   8  11.953  -5.368   2.956
   72    HE2  TYR   8           HE2      TYR   8   7.800  -6.194   2.431
   73    HH   TYR   8           HH       TYR   8   9.286  -7.259   3.995
   74    H    ARG   9           HN       ARG   9  11.981  -1.325   2.284
   75    HA   ARG   9           HA       ARG   9  13.129   1.151   1.699
   76    HB2  ARG   9           HB2      ARG   9  14.159  -0.585   3.140
   77    HB3  ARG   9           HB1      ARG   9  14.499  -1.544   1.706
   78    HG2  ARG   9           HG2      ARG   9  16.508  -0.459   2.220
   79    HG3  ARG   9           HG1      ARG   9  15.827   0.448   0.867
   80    HD2  ARG   9           HD2      ARG   9  14.742   1.757   2.984
   81    HD3  ARG   9           HD1      ARG   9  16.297   1.263   3.651
   82    HE   ARG   9           HE       ARG   9  15.856   3.334   1.789
   83   HH11  ARG   9          HH11      ARG   9  18.086   0.742   2.484
   84   HH12  ARG   9          HH12      ARG   9  19.434   1.533   1.740
   85   HH21  ARG   9          HH21      ARG   9  17.628   4.378   0.808
   86   HH22  ARG   9          HH22      ARG   9  19.174   3.597   0.788
   87    H    GLY  10           HN       GLY  10  12.513  -1.625  -0.333
   88    HA2  GLY  10           HA2      GLY  10  14.086  -0.513  -2.525
   89    HA3  GLY  10           HA1      GLY  10  13.256  -2.062  -2.520
   90    H    ILE  11           HN       ILE  11  10.761  -0.776  -1.520
   91    HA   ILE  11           HA       ILE  11   9.959   1.046  -3.607
   92    HB   ILE  11           HB       ILE  11   8.081  -0.435  -4.381
   93   HG12  ILE  11          HG12      ILE  11   9.755  -2.586  -3.064
   94   HG13  ILE  11          HG11      ILE  11   8.168  -2.051  -2.523
   95   HG21  ILE  11          HG21      ILE  11  10.791  -1.571  -5.025
   96   HG22  ILE  11          HG22      ILE  11  10.234  -0.008  -5.624
   97   HG23  ILE  11          HG23      ILE  11   9.372  -1.482  -6.067
   98   HD11  ILE  11          HD11      ILE  11   8.900  -3.635  -4.946
   99   HD12  ILE  11          HD12      ILE  11   7.386  -2.731  -4.881
  100   HD13  ILE  11          HD13      ILE  11   7.712  -3.992  -3.691
  101    H    CYS  12           HN       CYS  12   8.228   2.254  -3.014
  102    HA   CYS  12           HA       CYS  12   6.606   1.367  -0.739
  103    HB2  CYS  12           HB2      CYS  12   8.400   2.823   0.145
  104    HB3  CYS  12           HB1      CYS  12   7.881   4.104  -0.944
  105    H    TYR  13           HN       TYR  13   4.605   1.302  -1.513
  106    HA   TYR  13           HA       TYR  13   3.596   3.641  -2.969
  107    HB2  TYR  13           HB2      TYR  13   3.550   0.786  -3.858
  108    HB3  TYR  13           HB1      TYR  13   2.196   1.829  -4.280
  109    HD1  TYR  13           HD1      TYR  13   3.417   4.373  -4.891
  110    HD2  TYR  13           HD2      TYR  13   4.820   0.452  -5.762
  111    HE1  TYR  13           HE1      TYR  13   4.691   5.259  -6.798
  112    HE2  TYR  13           HE2      TYR  13   6.098   1.327  -7.671
  113    HH   TYR  13           HH       TYR  13   7.048   3.417  -8.451
  114    H    ARG  14           HN       ARG  14   1.067   3.265  -3.260
  115    HA   ARG  14           HA       ARG  14  -0.046   2.112  -0.807
  116    HB2  ARG  14           HB2      ARG  14  -1.538   4.189  -0.673
  117    HB3  ARG  14           HB1      ARG  14   0.131   4.358  -0.142
  118    HG2  ARG  14           HG2      ARG  14  -0.680   5.056  -2.939
  119    HG3  ARG  14           HG1      ARG  14  -0.884   6.200  -1.611
  120    HD2  ARG  14           HD2      ARG  14   1.706   5.243  -1.309
  121    HD3  ARG  14           HD1      ARG  14   1.511   5.437  -3.052
  122    HE   ARG  14           HE       ARG  14   1.465   7.710  -2.764
  123   HH11  ARG  14          HH11      ARG  14   1.032   6.162   0.335
  124   HH12  ARG  14          HH12      ARG  14   1.174   7.638   1.231
  125   HH21  ARG  14          HH21      ARG  14   1.651   9.650  -1.587
  126   HH22  ARG  14          HH22      ARG  14   1.525   9.618   0.140
  127    H    ARG  15           HN       ARG  15  -2.430   1.913  -0.897
  128    HA   ARG  15           HA       ARG  15  -3.609   1.983  -3.556
  129    HB2  ARG  15           HB2      ARG  15  -2.460  -0.251  -3.278
  130    HB3  ARG  15           HB1      ARG  15  -3.594  -0.590  -1.977
  131    HG2  ARG  15           HG2      ARG  15  -4.783  -1.548  -3.620
  132    HG3  ARG  15           HG1      ARG  15  -5.310   0.107  -3.932
  133    HD2  ARG  15           HD2      ARG  15  -3.763   0.370  -5.697
  134    HD3  ARG  15           HD1      ARG  15  -2.886  -1.091  -5.244
  135    HE   ARG  15           HE       ARG  15  -4.415  -2.335  -6.411
  136   HH11  ARG  15          HH11      ARG  15  -5.679   0.887  -5.959
  137   HH12  ARG  15          HH12      ARG  15  -7.030   0.640  -7.015
  138   HH21  ARG  15          HH21      ARG  15  -6.191  -2.661  -7.800
  139   HH22  ARG  15          HH22      ARG  15  -7.321  -1.375  -8.060
  140    H    CYS  16           HN       CYS  16  -5.420   3.082  -3.209
  141    HA   CYS  16           HA       CYS  16  -7.377   2.096  -1.342
  142    HB2  CYS  16           HB2      CYS  16  -5.959   3.537   0.098
  143    HB3  CYS  16           HB1      CYS  16  -6.293   4.896  -0.970
  144    H    ARG  17           HN       ARG  17  -9.463   2.864  -1.757
  145    HA   ARG  17           HA       ARG  17  -9.726   4.250  -4.330
  146    HB2  ARG  17           HB2      ARG  17 -11.357   2.222  -2.881
  147    HB3  ARG  17           HB1      ARG  17 -12.204   3.362  -3.919
  148    HG2  ARG  17           HG2      ARG  17 -11.062   2.620  -5.841
  149    HG3  ARG  17           HG1      ARG  17  -9.875   1.733  -4.883
  150    HD2  ARG  17           HD2      ARG  17 -11.243  -0.039  -4.582
  151    HD3  ARG  17           HD1      ARG  17 -12.689   0.964  -4.471
  152    HE   ARG  17           HE       ARG  17 -13.063   0.522  -6.669
  153   HH11  ARG  17          HH11      ARG  17  -9.650   0.131  -6.057
  154   HH12  ARG  17          HH12      ARG  17  -9.294  -0.398  -7.668
  155   HH21  ARG  17          HH21      ARG  17 -12.598  -0.173  -8.787
  156   HH22  ARG  17          HH22      ARG  17 -10.968  -0.570  -9.217
  157    HN1  NH2  18           HN1      NH2  18 -12.074   5.364  -4.369
  158    HN2  NH2  18           HN2      NH2  18 -12.296   6.527  -3.112
  Start of MODEL    4
    1    H1   LYS   1           HT1      LYS   1  -7.152  -5.419   3.594
    2    H2   LYS   1           HT2      LYS   1  -8.664  -5.712   4.351
    3    H3   LYS   1           HT3      LYS   1  -7.287  -5.335   5.301
    4    HA   LYS   1           HA       LYS   1  -8.942  -3.530   4.944
    5    HB2  LYS   1           HB2      LYS   1  -7.160  -1.878   4.788
    6    HB3  LYS   1           HB1      LYS   1  -6.633  -3.239   5.770
    7    HG2  LYS   1           HG2      LYS   1  -5.724  -4.041   3.379
    8    HG3  LYS   1           HG1      LYS   1  -5.653  -2.292   3.156
    9    HD2  LYS   1           HD2      LYS   1  -3.635  -2.499   4.136
   10    HD3  LYS   1           HD1      LYS   1  -4.578  -2.525   5.629
   11    HE2  LYS   1           HE2      LYS   1  -4.196  -4.722   5.987
   12    HE3  LYS   1           HE1      LYS   1  -4.261  -5.121   4.270
   13    HZ1  LYS   1           HZ1      LYS   1  -2.002  -3.724   4.365
   14    HZ2  LYS   1           HZ2      LYS   1  -2.063  -5.402   4.567
   15    HZ3  LYS   1           HZ3      LYS   1  -1.986  -4.391   5.920
   16    H    TRP   2           HN       TRP   2  -9.434  -1.724   3.524
   17    HA   TRP   2           HA       TRP   2  -9.530  -2.582   0.722
   18    HB2  TRP   2           HB2      TRP   2 -11.257  -0.706   0.558
   19    HB3  TRP   2           HB1      TRP   2 -11.705  -2.114   1.515
   20    HD1  TRP   2           HD1      TRP   2  -9.468   0.696   2.887
   21    HE1  TRP   2           HE1      TRP   2 -10.703   1.836   4.835
   22    HE3  TRP   2           HE3      TRP   2 -13.976  -1.683   2.496
   23    HZ2  TRP   2           HZ2      TRP   2 -13.251   1.741   6.047
   24    HZ3  TRP   2           HZ3      TRP   2 -15.759  -1.102   4.088
   25    HH2  TRP   2           HH2      TRP   2 -15.402   0.576   5.827
   26    H    CYS   3           HN       CYS   3  -7.130  -1.444   1.897
   27    HA   CYS   3           HA       CYS   3  -6.769   0.749   0.005
   28    HB2  CYS   3           HB2      CYS   3  -7.273   1.432   2.554
   29    HB3  CYS   3           HB1      CYS   3  -5.535   1.173   2.673
   30    H    PHE   4           HN       PHE   4  -5.102   0.189  -1.216
   31    HA   PHE   4           HA       PHE   4  -3.165  -1.744  -0.319
   32    HB2  PHE   4           HB2      PHE   4  -3.278  -0.159  -2.894
   33    HB3  PHE   4           HB1      PHE   4  -2.231  -1.539  -2.580
   34    HD1  PHE   4           HD2      PHE   4  -3.139  -3.792  -2.477
   35    HD2  PHE   4           HD1      PHE   4  -5.620  -0.446  -3.348
   36    HE1  PHE   4           HE2      PHE   4  -4.892  -5.311  -3.296
   37    HE2  PHE   4           HE1      PHE   4  -7.378  -1.958  -4.169
   38    HZ   PHE   4           HZ       PHE   4  -7.016  -4.394  -4.143
   39    H    ARG   5           HN       ARG   5  -2.320  -0.465   1.465
   40    HA   ARG   5           HA       ARG   5  -0.355   1.537   0.560
   41    HB2  ARG   5           HB2      ARG   5  -0.531   2.403   2.961
   42    HB3  ARG   5           HB1      ARG   5  -1.880   2.740   1.885
   43    HG2  ARG   5           HG2      ARG   5  -3.289   1.288   2.973
   44    HG3  ARG   5           HG1      ARG   5  -1.964   0.308   3.605
   45    HD2  ARG   5           HD2      ARG   5  -1.366   2.482   4.919
   46    HD3  ARG   5           HD1      ARG   5  -3.046   2.909   4.600
   47    HE   ARG   5           HE       ARG   5  -2.079   0.919   6.433
   48   HH11  ARG   5          HH11      ARG   5  -4.790   1.929   4.482
   49   HH12  ARG   5          HH12      ARG   5  -5.958   1.097   5.452
   50   HH21  ARG   5          HH21      ARG   5  -3.615  -0.177   7.710
   51   HH22  ARG   5          HH22      ARG   5  -5.291  -0.099   7.284
   52    H    VAL   6           HN       VAL   6   1.327   0.079   0.291
   53    HA   VAL   6           HA       VAL   6   2.326  -1.143   2.781
   54    HB   VAL   6           HB       VAL   6   2.761  -2.259   0.009
   55   HG11  VAL   6          HG11      VAL   6   4.528  -2.919   1.435
   56   HG12  VAL   6          HG12      VAL   6   3.422  -4.290   1.362
   57   HG13  VAL   6          HG13      VAL   6   3.428  -3.236   2.776
   58   HG21  VAL   6          HG21      VAL   6   0.577  -2.826   0.202
   59   HG22  VAL   6          HG22      VAL   6   0.576  -2.665   1.958
   60   HG23  VAL   6          HG23      VAL   6   1.239  -4.116   1.204
   61    H    CYS   7           HN       CYS   7   4.583  -1.166   3.082
   62    HA   CYS   7           HA       CYS   7   6.144   0.495   1.227
   63    HB2  CYS   7           HB2      CYS   7   5.663   0.920   4.131
   64    HB3  CYS   7           HB1      CYS   7   7.288   1.231   3.531
   65    H    TYR   8           HN       TYR   8   7.435  -1.052   0.391
   66    HA   TYR   8           HA       TYR   8   8.569  -3.136   2.025
   67    HB2  TYR   8           HB2      TYR   8   8.965  -2.369  -0.870
   68    HB3  TYR   8           HB1      TYR   8   9.780  -3.731  -0.109
   69    HD1  TYR   8           HD2      TYR   8   8.407  -5.641   0.766
   70    HD2  TYR   8           HD1      TYR   8   6.727  -2.546  -1.622
   71    HE1  TYR   8           HE2      TYR   8   6.474  -7.078   0.275
   72    HE2  TYR   8           HE1      TYR   8   4.788  -3.975  -2.118
   73    HH   TYR   8           HH       TYR   8   3.738  -6.252  -0.581
   74    H    ARG   9           HN       ARG   9  11.088  -3.508   1.354
   75    HA   ARG   9           HA       ARG   9  12.540  -1.712   2.907
   76    HB2  ARG   9           HB2      ARG   9  13.281  -3.846   0.949
   77    HB3  ARG   9           HB1      ARG   9  14.538  -2.777   1.558
   78    HG2  ARG   9           HG2      ARG   9  14.504  -4.746   2.902
   79    HG3  ARG   9           HG1      ARG   9  13.875  -3.409   3.867
   80    HD2  ARG   9           HD2      ARG   9  11.622  -4.152   3.546
   81    HD3  ARG   9           HD1      ARG   9  12.137  -5.368   2.378
   82    HE   ARG   9           HE       ARG   9  12.714  -6.748   4.114
   83   HH11  ARG   9          HH11      ARG   9  12.237  -3.515   5.341
   84   HH12  ARG   9          HH12      ARG   9  12.338  -3.996   7.001
   85   HH21  ARG   9          HH21      ARG   9  12.846  -7.381   6.298
   86   HH22  ARG   9          HH22      ARG   9  12.684  -6.190   7.545
   87    H    GLY  10           HN       GLY  10  11.782  -1.658  -0.498
   88    HA2  GLY  10           HA2      GLY  10  13.109   0.962  -0.675
   89    HA3  GLY  10           HA1      GLY  10  13.436  -0.253  -1.902
   90    H    ILE  11           HN       ILE  11  10.268   0.005  -0.493
   91    HA   ILE  11           HA       ILE  11   9.289   1.557  -2.772
   92    HB   ILE  11           HB       ILE  11   7.996  -1.053  -1.991
   93   HG12  ILE  11          HG12      ILE  11  10.238  -1.418  -2.999
   94   HG13  ILE  11          HG11      ILE  11   8.931  -2.019  -4.012
   95   HG21  ILE  11          HG21      ILE  11   7.063  -0.572  -4.419
   96   HG22  ILE  11          HG22      ILE  11   7.418   1.093  -3.959
   97   HG23  ILE  11          HG23      ILE  11   6.315   0.124  -2.981
   98   HD11  ILE  11          HD11      ILE  11  10.971  -0.528  -4.915
   99   HD12  ILE  11          HD12      ILE  11   9.795   0.738  -4.556
  100   HD13  ILE  11          HD13      ILE  11   9.376  -0.566  -5.666
  101    H    CYS  12           HN       CYS  12   7.175   2.447  -2.463
  102    HA   CYS  12           HA       CYS  12   5.829   2.136   0.056
  103    HB2  CYS  12           HB2      CYS  12   7.674   4.398  -0.411
  104    HB3  CYS  12           HB1      CYS  12   6.094   4.829   0.236
  105    H    TYR  13           HN       TYR  13   4.224   1.547  -1.541
  106    HA   TYR  13           HA       TYR  13   3.096   3.806  -3.037
  107    HB2  TYR  13           HB2      TYR  13   3.200   0.898  -3.458
  108    HB3  TYR  13           HB1      TYR  13   1.632   1.620  -3.801
  109    HD1  TYR  13           HD2      TYR  13   5.153   2.754  -4.356
  110    HD2  TYR  13           HD1      TYR  13   1.358   1.891  -6.073
  111    HE1  TYR  13           HE2      TYR  13   5.984   3.498  -6.548
  112    HE2  TYR  13           HE1      TYR  13   2.177   2.631  -8.271
  113    HH   TYR  13           HH       TYR  13   4.878   2.762  -9.280
  114    H    ARG  14           HN       ARG  14   0.940   4.401  -2.830
  115    HA   ARG  14           HA       ARG  14  -0.675   3.088  -0.785
  116    HB2  ARG  14           HB2      ARG  14   0.479   5.816  -0.579
  117    HB3  ARG  14           HB1      ARG  14  -1.195   5.626  -0.076
  118    HG2  ARG  14           HG2      ARG  14  -0.649   4.468   1.773
  119    HG3  ARG  14           HG1      ARG  14   0.673   3.613   0.976
  120    HD2  ARG  14           HD2      ARG  14   2.204   5.226   1.478
  121    HD3  ARG  14           HD1      ARG  14   1.008   6.522   1.449
  122    HE   ARG  14           HE       ARG  14   0.307   5.098   3.634
  123   HH11  ARG  14          HH11      ARG  14   3.334   6.463   2.561
  124   HH12  ARG  14          HH12      ARG  14   3.930   6.722   4.166
  125   HH21  ARG  14          HH21      ARG  14   1.088   5.437   5.746
  126   HH22  ARG  14          HH22      ARG  14   2.655   6.138   5.974
  127    H    ARG  15           HN       ARG  15  -2.207   2.477  -2.250
  128    HA   ARG  15           HA       ARG  15  -3.704   4.662  -3.531
  129    HB2  ARG  15           HB2      ARG  15  -4.183   3.054  -5.412
  130    HB3  ARG  15           HB1      ARG  15  -2.523   3.626  -5.320
  131    HG2  ARG  15           HG2      ARG  15  -2.082   1.466  -3.989
  132    HG3  ARG  15           HG1      ARG  15  -3.622   0.925  -4.659
  133    HD2  ARG  15           HD2      ARG  15  -2.787   0.702  -6.744
  134    HD3  ARG  15           HD1      ARG  15  -1.741   2.113  -6.588
  135    HE   ARG  15           HE       ARG  15  -0.562   0.299  -4.971
  136   HH11  ARG  15          HH11      ARG  15  -1.632   0.183  -8.290
  137   HH12  ARG  15          HH12      ARG  15  -0.422  -0.957  -8.771
  138   HH21  ARG  15          HH21      ARG  15   1.031  -1.201  -5.601
  139   HH22  ARG  15          HH22      ARG  15   1.090  -1.743  -7.246
  140    H    CYS  16           HN       CYS  16  -5.658   4.761  -2.660
  141    HA   CYS  16           HA       CYS  16  -6.827   2.399  -1.424
  142    HB2  CYS  16           HB2      CYS  16  -6.892   5.158  -0.863
  143    HB3  CYS  16           HB1      CYS  16  -8.532   4.725  -1.333
  144    H    ARG  17           HN       ARG  17  -9.140   1.919  -1.789
  145    HA   ARG  17           HA       ARG  17  -9.668   1.767  -4.620
  146    HB2  ARG  17           HB2      ARG  17 -10.099  -0.158  -3.157
  147    HB3  ARG  17           HB1      ARG  17 -11.287   0.781  -2.263
  148    HG2  ARG  17           HG2      ARG  17 -12.554   1.020  -4.428
  149    HG3  ARG  17           HG1      ARG  17 -11.452  -0.181  -5.104
  150    HD2  ARG  17           HD2      ARG  17 -12.703  -0.881  -2.526
  151    HD3  ARG  17           HD1      ARG  17 -13.794  -0.787  -3.908
  152    HE   ARG  17           HE       ARG  17 -11.748  -2.299  -4.832
  153   HH11  ARG  17          HH11      ARG  17 -13.783  -2.495  -2.003
  154   HH12  ARG  17          HH12      ARG  17 -13.693  -4.222  -1.905
  155   HH21  ARG  17          HH21      ARG  17 -11.629  -4.570  -4.704
  156   HH22  ARG  17          HH22      ARG  17 -12.470  -5.400  -3.438
  157    HN1  NH2  18           HN1      NH2  18 -11.457   2.620  -5.695
  158    HN2  NH2  18           HN2      NH2  18 -12.377   3.941  -5.066
  Start of MODEL    5
    1    H1   LYS   1           HT1      LYS   1 -13.238  -3.742   1.455
    2    H2   LYS   1           HT2      LYS   1 -12.076  -3.957   0.211
    3    H3   LYS   1           HT3      LYS   1 -13.745  -4.177  -0.123
    4    HA   LYS   1           HA       LYS   1 -12.752  -2.071  -0.909
    5    HB2  LYS   1           HB2      LYS   1 -14.728  -0.761  -0.009
    6    HB3  LYS   1           HB1      LYS   1 -15.114  -2.288  -0.791
    7    HG2  LYS   1           HG2      LYS   1 -15.647  -3.325   1.215
    8    HG3  LYS   1           HG1      LYS   1 -14.758  -2.141   2.175
    9    HD2  LYS   1           HD2      LYS   1 -16.589  -0.548   0.972
   10    HD3  LYS   1           HD1      LYS   1 -17.505  -2.050   1.118
   11    HE2  LYS   1           HE2      LYS   1 -17.971  -0.950   3.110
   12    HE3  LYS   1           HE1      LYS   1 -16.675  -2.059   3.557
   13    HZ1  LYS   1           HZ1      LYS   1 -15.109  -0.177   3.210
   14    HZ2  LYS   1           HZ2      LYS   1 -16.188   0.051   4.492
   15    HZ3  LYS   1           HZ3      LYS   1 -16.442   0.849   3.023
   16    H    TRP   2           HN       TRP   2 -10.674  -1.749   0.148
   17    HA   TRP   2           HA       TRP   2 -10.765   0.474   1.966
   18    HB2  TRP   2           HB2      TRP   2  -9.400  -0.553   3.729
   19    HB3  TRP   2           HB1      TRP   2 -10.943  -1.382   3.559
   20    HD1  TRP   2           HD1      TRP   2  -8.983  -2.604   0.775
   21    HE1  TRP   2           HE1      TRP   2  -7.836  -4.842   1.325
   22    HE3  TRP   2           HE3      TRP   2  -9.540  -2.575   5.858
   23    HZ2  TRP   2           HZ2      TRP   2  -7.247  -6.389   3.611
   24    HZ3  TRP   2           HZ3      TRP   2  -8.657  -4.471   7.152
   25    HH2  TRP   2           HH2      TRP   2  -7.534  -6.339   6.050
   26    H    CYS   3           HN       CYS   3  -8.324   0.918   2.690
   27    HA   CYS   3           HA       CYS   3  -6.746   0.752   0.213
   28    HB2  CYS   3           HB2      CYS   3  -6.373   2.727   2.468
   29    HB3  CYS   3           HB1      CYS   3  -5.673   2.796   0.855
   30    H    PHE   4           HN       PHE   4  -4.683  -0.013   0.230
   31    HA   PHE   4           HA       PHE   4  -3.734  -1.143   2.779
   32    HB2  PHE   4           HB2      PHE   4  -2.405  -2.703   1.255
   33    HB3  PHE   4           HB1      PHE   4  -4.147  -2.949   1.311
   34    HD1  PHE   4           HD1      PHE   4  -5.560  -2.157  -0.570
   35    HD2  PHE   4           HD2      PHE   4  -1.309  -2.102  -0.749
   36    HE1  PHE   4           HE1      PHE   4  -5.671  -1.945  -3.019
   37    HE2  PHE   4           HE2      PHE   4  -1.411  -1.887  -3.199
   38    HZ   PHE   4           HZ       PHE   4  -3.594  -1.808  -4.336
   39    H    ARG   5           HN       ARG   5  -1.487  -1.072   3.236
   40    HA   ARG   5           HA       ARG   5  -0.014   0.981   1.717
   41    HB2  ARG   5           HB2      ARG   5  -0.733   1.838   3.902
   42    HB3  ARG   5           HB1      ARG   5   0.055   0.484   4.700
   43    HG2  ARG   5           HG2      ARG   5   2.213   1.262   4.064
   44    HG3  ARG   5           HG1      ARG   5   1.519   2.490   3.002
   45    HD2  ARG   5           HD2      ARG   5   2.312   3.447   5.117
   46    HD3  ARG   5           HD1      ARG   5   0.573   3.646   4.913
   47    HE   ARG   5           HE       ARG   5   0.799   1.348   6.344
   48   HH11  ARG   5          HH11      ARG   5   2.007   4.593   6.772
   49   HH12  ARG   5          HH12      ARG   5   2.001   4.502   8.502
   50   HH21  ARG   5          HH21      ARG   5   0.789   1.225   8.618
   51   HH22  ARG   5          HH22      ARG   5   1.309   2.589   9.549
   52    H    VAL   6           HN       VAL   6   2.062   0.549   1.170
   53    HA   VAL   6           HA       VAL   6   3.402  -1.772   2.335
   54    HB   VAL   6           HB       VAL   6   3.166  -1.447  -0.657
   55   HG11  VAL   6          HG11      VAL   6   4.027  -3.936   0.744
   56   HG12  VAL   6          HG12      VAL   6   5.176  -2.612   0.544
   57   HG13  VAL   6          HG13      VAL   6   4.432  -3.355  -0.872
   58   HG21  VAL   6          HG21      VAL   6   1.741  -3.491  -0.541
   59   HG22  VAL   6          HG22      VAL   6   0.995  -2.051   0.155
   60   HG23  VAL   6          HG23      VAL   6   1.680  -3.288   1.210
   61    H    CYS   7           HN       CYS   7   5.443  -1.286   2.791
   62    HA   CYS   7           HA       CYS   7   6.901   0.588   1.082
   63    HB2  CYS   7           HB2      CYS   7   6.103   1.050   3.879
   64    HB3  CYS   7           HB1      CYS   7   7.807   1.344   3.548
   65    H    TYR   8           HN       TYR   8   8.342  -0.879   0.332
   66    HA   TYR   8           HA       TYR   8   9.675  -2.688   2.182
   67    HB2  TYR   8           HB2      TYR   8   9.090  -2.683  -0.637
   68    HB3  TYR   8           HB1      TYR   8  10.816  -2.924  -0.390
   69    HD1  TYR   8           HD1      TYR   8   7.469  -4.311   0.203
   70    HD2  TYR   8           HD2      TYR   8  11.654  -4.932   0.659
   71    HE1  TYR   8           HE1      TYR   8   7.055  -6.677   0.728
   72    HE2  TYR   8           HE2      TYR   8  11.251  -7.300   1.184
   73    HH   TYR   8           HH       TYR   8   8.425  -8.869   0.557
   74    H    ARG   9           HN       ARG   9  12.166  -2.963   1.185
   75    HA   ARG   9           HA       ARG   9  13.610  -0.911   2.392
   76    HB2  ARG   9           HB2      ARG   9  14.512  -3.163   1.997
   77    HB3  ARG   9           HB1      ARG   9  14.543  -2.850   0.268
   78    HG2  ARG   9           HG2      ARG   9  16.657  -2.232   0.590
   79    HG3  ARG   9           HG1      ARG   9  15.984  -0.747   1.265
   80    HD2  ARG   9           HD2      ARG   9  17.674  -1.791   2.732
   81    HD3  ARG   9           HD1      ARG   9  16.089  -1.661   3.494
   82    HE   ARG   9           HE       ARG   9  16.041  -3.934   3.653
   83   HH11  ARG   9          HH11      ARG   9  18.369  -3.056   1.205
   84   HH12  ARG   9          HH12      ARG   9  18.917  -4.681   0.966
   85   HH21  ARG   9          HH21      ARG   9  16.761  -6.072   3.339
   86   HH22  ARG   9          HH22      ARG   9  18.004  -6.393   2.176
   87    H    GLY  10           HN       GLY  10  12.834  -1.431  -1.026
   88    HA2  GLY  10           HA2      GLY  10  13.704   1.347  -1.532
   89    HA3  GLY  10           HA1      GLY  10  14.020   0.049  -2.674
   90    H    ILE  11           HN       ILE  11  11.021   0.240  -0.905
   91    HA   ILE  11           HA       ILE  11   9.647   1.391  -3.217
   92    HB   ILE  11           HB       ILE  11   8.693  -1.178  -1.957
   93   HG12  ILE  11          HG12      ILE  11  10.035  -0.835  -4.646
   94   HG13  ILE  11          HG11      ILE  11  10.845  -1.458  -3.211
   95   HG21  ILE  11          HG21      ILE  11   7.167  -1.246  -3.857
   96   HG22  ILE  11          HG22      ILE  11   7.834   0.272  -4.458
   97   HG23  ILE  11          HG23      ILE  11   6.955   0.238  -2.929
   98   HD11  ILE  11          HD11      ILE  11   8.344  -2.816  -3.935
   99   HD12  ILE  11          HD12      ILE  11   9.887  -3.476  -3.393
  100   HD13  ILE  11          HD13      ILE  11   9.676  -2.998  -5.077
  101    H    CYS  12           HN       CYS  12   7.840   2.549  -2.713
  102    HA   CYS  12           HA       CYS  12   6.517   2.288  -0.176
  103    HB2  CYS  12           HB2      CYS  12   8.580   4.348  -0.594
  104    HB3  CYS  12           HB1      CYS  12   7.051   4.961   0.027
  105    H    TYR  13           HN       TYR  13   4.490   2.316  -0.902
  106    HA   TYR  13           HA       TYR  13   3.455   4.687  -2.159
  107    HB2  TYR  13           HB2      TYR  13   2.510   3.519  -4.123
  108    HB3  TYR  13           HB1      TYR  13   4.271   3.524  -4.137
  109    HD1  TYR  13           HD2      TYR  13   1.391   1.389  -3.098
  110    HD2  TYR  13           HD1      TYR  13   5.402   1.534  -4.510
  111    HE1  TYR  13           HE2      TYR  13   1.389  -1.058  -3.341
  112    HE2  TYR  13           HE1      TYR  13   5.410  -0.913  -4.758
  113    HH   TYR  13           HH       TYR  13   4.237  -2.855  -3.890
  114    H    ARG  14           HN       ARG  14   1.083   4.593  -2.406
  115    HA   ARG  14           HA       ARG  14  -0.174   2.548  -0.710
  116    HB2  ARG  14           HB2      ARG  14   0.288   5.002   0.272
  117    HB3  ARG  14           HB1      ARG  14  -1.240   5.315  -0.540
  118    HG2  ARG  14           HG2      ARG  14  -2.431   4.076   0.924
  119    HG3  ARG  14           HG1      ARG  14  -1.131   2.906   1.161
  120    HD2  ARG  14           HD2      ARG  14  -0.180   4.099   2.845
  121    HD3  ARG  14           HD1      ARG  14  -0.668   5.651   2.167
  122    HE   ARG  14           HE       ARG  14  -2.125   4.044   4.053
  123   HH11  ARG  14          HH11      ARG  14  -2.384   6.505   1.591
  124   HH12  ARG  14          HH12      ARG  14  -3.867   7.147   2.211
  125   HH21  ARG  14          HH21      ARG  14  -4.077   4.887   4.870
  126   HH22  ARG  14          HH22      ARG  14  -4.828   6.229   4.074
  127    H    ARG  15           HN       ARG  15  -2.268   1.979  -1.254
  128    HA   ARG  15           HA       ARG  15  -3.451   3.294  -3.598
  129    HB2  ARG  15           HB2      ARG  15  -2.656   0.436  -3.309
  130    HB3  ARG  15           HB1      ARG  15  -4.149   0.789  -4.168
  131    HG2  ARG  15           HG2      ARG  15  -1.826   2.398  -4.977
  132    HG3  ARG  15           HG1      ARG  15  -1.719   0.671  -5.327
  133    HD2  ARG  15           HD2      ARG  15  -4.194   2.202  -6.018
  134    HD3  ARG  15           HD1      ARG  15  -2.783   2.276  -7.073
  135    HE   ARG  15           HE       ARG  15  -3.281  -0.406  -6.571
  136   HH11  ARG  15          HH11      ARG  15  -4.903   2.279  -8.100
  137   HH12  ARG  15          HH12      ARG  15  -5.767   1.280  -9.220
  138   HH21  ARG  15          HH21      ARG  15  -4.418  -1.721  -8.043
  139   HH22  ARG  15          HH22      ARG  15  -5.492  -0.990  -9.188
  140    H    CYS  16           HN       CYS  16  -5.752   2.728  -3.905
  141    HA   CYS  16           HA       CYS  16  -7.074   1.906  -1.411
  142    HB2  CYS  16           HB2      CYS  16  -7.506   4.415  -2.998
  143    HB3  CYS  16           HB1      CYS  16  -8.834   3.713  -2.082
  144    H    ARG  17           HN       ARG  17  -9.573   1.737  -1.913
  145    HA   ARG  17           HA       ARG  17 -10.058   0.661  -4.581
  146    HB2  ARG  17           HB2      ARG  17  -9.229  -1.186  -3.024
  147    HB3  ARG  17           HB1      ARG  17 -10.740  -0.982  -2.149
  148    HG2  ARG  17           HG2      ARG  17 -11.706  -1.263  -4.630
  149    HG3  ARG  17           HG1      ARG  17 -10.221  -2.204  -4.781
  150    HD2  ARG  17           HD2      ARG  17 -12.493  -2.611  -2.850
  151    HD3  ARG  17           HD1      ARG  17 -11.922  -3.712  -4.103
  152    HE   ARG  17           HE       ARG  17 -10.843  -3.383  -1.460
  153   HH11  ARG  17          HH11      ARG  17 -10.153  -4.413  -4.722
  154   HH12  ARG  17          HH12      ARG  17  -8.854  -5.456  -4.251
  155   HH21  ARG  17          HH21      ARG  17  -9.135  -4.755  -0.838
  156   HH22  ARG  17          HH22      ARG  17  -8.276  -5.651  -2.046
  157    HN1  NH2  18           HN1      NH2  18 -11.578   0.848  -1.361
  158    HN2  NH2  18           HN2      NH2  18 -13.063   1.534  -1.916
  Start of MODEL    6
    1    H1   LYS   1           HT1      LYS   1 -13.833   2.691   4.551
    2    H2   LYS   1           HT2      LYS   1 -12.142   2.983   4.567
    3    H3   LYS   1           HT3      LYS   1 -12.877   2.124   5.857
    4    HA   LYS   1           HA       LYS   1 -13.267   0.277   4.584
    5    HB2  LYS   1           HB2      LYS   1 -13.038   0.270   2.157
    6    HB3  LYS   1           HB1      LYS   1 -14.161   1.528   2.655
    7    HG2  LYS   1           HG2      LYS   1 -11.907   2.965   2.586
    8    HG3  LYS   1           HG1      LYS   1 -11.513   1.745   1.375
    9    HD2  LYS   1           HD2      LYS   1 -14.158   3.140   1.294
   10    HD3  LYS   1           HD1      LYS   1 -12.718   3.937   0.654
   11    HE2  LYS   1           HE2      LYS   1 -12.520   2.487  -1.090
   12    HE3  LYS   1           HE1      LYS   1 -13.214   1.139  -0.189
   13    HZ1  LYS   1           HZ1      LYS   1 -15.322   1.732  -0.741
   14    HZ2  LYS   1           HZ2      LYS   1 -14.527   2.333  -2.108
   15    HZ3  LYS   1           HZ3      LYS   1 -14.968   3.383  -0.857
   16    H    TRP   2           HN       TRP   2 -11.594  -1.011   3.110
   17    HA   TRP   2           HA       TRP   2  -8.959  -0.468   4.285
   18    HB2  TRP   2           HB2      TRP   2 -10.433  -2.932   3.545
   19    HB3  TRP   2           HB1      TRP   2  -8.692  -2.956   3.288
   20    HD1  TRP   2           HD1      TRP   2  -7.193  -2.307   5.581
   21    HE1  TRP   2           HE1      TRP   2  -7.641  -3.016   8.014
   22    HE3  TRP   2           HE3      TRP   2 -12.145  -3.513   5.178
   23    HZ2  TRP   2           HZ2      TRP   2  -9.807  -3.960   9.560
   24    HZ3  TRP   2           HZ3      TRP   2 -13.331  -4.312   7.180
   25    HH2  TRP   2           HH2      TRP   2 -12.185  -4.530   9.325
   26    H    CYS   3           HN       CYS   3  -7.079  -0.530   3.030
   27    HA   CYS   3           HA       CYS   3  -7.473  -0.489   0.116
   28    HB2  CYS   3           HB2      CYS   3  -5.950   1.499   1.800
   29    HB3  CYS   3           HB1      CYS   3  -5.710   1.342   0.063
   30    H    PHE   4           HN       PHE   4  -5.294  -0.607  -1.044
   31    HA   PHE   4           HA       PHE   4  -3.753  -2.755   0.209
   32    HB2  PHE   4           HB2      PHE   4  -4.789  -2.727  -2.231
   33    HB3  PHE   4           HB1      PHE   4  -3.289  -1.887  -2.611
   34    HD1  PHE   4           HD2      PHE   4  -4.606  -4.984  -1.042
   35    HD2  PHE   4           HD1      PHE   4  -1.338  -3.085  -2.997
   36    HE1  PHE   4           HE2      PHE   4  -3.439  -7.145  -1.182
   37    HE2  PHE   4           HE1      PHE   4  -0.166  -5.244  -3.143
   38    HZ   PHE   4           HZ       PHE   4  -1.216  -7.277  -2.233
   39    H    ARG   5           HN       ARG   5  -2.063  -2.094   1.361
   40    HA   ARG   5           HA       ARG   5  -0.444   0.140   0.326
   41    HB2  ARG   5           HB2      ARG   5  -1.500   0.544   2.530
   42    HB3  ARG   5           HB1      ARG   5  -0.658  -0.859   3.172
   43    HG2  ARG   5           HG2      ARG   5   1.475   0.390   2.355
   44    HG3  ARG   5           HG1      ARG   5   0.426   1.807   2.394
   45    HD2  ARG   5           HD2      ARG   5  -0.008   1.527   4.713
   46    HD3  ARG   5           HD1      ARG   5   0.740  -0.070   4.725
   47    HE   ARG   5           HE       ARG   5   2.616   1.877   3.908
   48   HH11  ARG   5          HH11      ARG   5   0.933   0.738   6.744
   49   HH12  ARG   5          HH12      ARG   5   2.176   1.244   7.838
   50   HH21  ARG   5          HH21      ARG   5   4.253   2.543   5.345
   51   HH22  ARG   5          HH22      ARG   5   4.062   2.269   7.044
   52    H    VAL   6           HN       VAL   6   1.722  -0.116   0.038
   53    HA   VAL   6           HA       VAL   6   2.936  -2.667   0.837
   54    HB   VAL   6           HB       VAL   6   3.324  -1.462  -1.904
   55   HG11  VAL   6          HG11      VAL   6   4.996  -3.094  -0.564
   56   HG12  VAL   6          HG12      VAL   6   4.821  -3.100  -2.318
   57   HG13  VAL   6          HG13      VAL   6   3.955  -4.286  -1.342
   58   HG21  VAL   6          HG21      VAL   6   1.101  -2.227  -1.931
   59   HG22  VAL   6          HG22      VAL   6   1.490  -3.651  -0.966
   60   HG23  VAL   6          HG23      VAL   6   2.043  -3.540  -2.637
   61    H    CYS   7           HN       CYS   7   4.942  -2.478   1.641
   62    HA   CYS   7           HA       CYS   7   6.432   0.002   1.134
   63    HB2  CYS   7           HB2      CYS   7   5.368  -0.951   3.676
   64    HB3  CYS   7           HB1      CYS   7   7.105  -0.676   3.741
   65    H    TYR   8           HN       TYR   8   8.645  -0.195   1.029
   66    HA   TYR   8           HA       TYR   8   9.844  -2.803   1.579
   67    HB2  TYR   8           HB2      TYR   8   9.074  -2.287  -0.956
   68    HB3  TYR   8           HB1      TYR   8  10.677  -1.562  -0.980
   69    HD1  TYR   8           HD2      TYR   8   9.218  -4.677   0.499
   70    HD2  TYR   8           HD1      TYR   8  12.242  -2.945  -1.943
   71    HE1  TYR   8           HE2      TYR   8  10.212  -6.901   0.163
   72    HE2  TYR   8           HE1      TYR   8  13.243  -5.164  -2.287
   73    HH   TYR   8           HH       TYR   8  12.338  -7.896  -0.444
   74    H    ARG   9           HN       ARG   9  12.340  -2.561   0.915
   75    HA   ARG   9           HA       ARG   9  13.508  -0.869   2.759
   76    HB2  ARG   9           HB2      ARG   9  14.491  -2.389   0.403
   77    HB3  ARG   9           HB1      ARG   9  15.557  -1.152   1.056
   78    HG2  ARG   9           HG2      ARG   9  14.857  -2.418   3.326
   79    HG3  ARG   9           HG1      ARG   9  14.762  -3.753   2.175
   80    HD2  ARG   9           HD2      ARG   9  17.082  -2.833   1.385
   81    HD3  ARG   9           HD1      ARG   9  17.114  -2.107   2.992
   82    HE   ARG   9           HE       ARG   9  16.440  -4.822   3.229
   83   HH11  ARG   9          HH11      ARG   9  19.162  -2.805   2.391
   84   HH12  ARG   9          HH12      ARG   9  20.341  -3.959   2.917
   85   HH21  ARG   9          HH21      ARG   9  17.988  -6.341   3.923
   86   HH22  ARG   9          HH22      ARG   9  19.674  -5.968   3.787
   87    H    GLY  10           HN       GLY  10  12.528  -0.204  -0.518
   88    HA2  GLY  10           HA2      GLY  10  13.107   2.624  -0.076
   89    HA3  GLY  10           HA1      GLY  10  13.886   1.865  -1.456
   90    H    ILE  11           HN       ILE  11  10.718   0.840  -0.468
   91    HA   ILE  11           HA       ILE  11   9.438   2.509  -2.498
   92    HB   ILE  11           HB       ILE  11   9.064  -0.484  -2.473
   93   HG12  ILE  11          HG12      ILE  11  11.343   0.165  -3.234
   94   HG13  ILE  11          HG11      ILE  11  10.377  -0.572  -4.508
   95   HG21  ILE  11          HG21      ILE  11   7.128   0.317  -3.384
   96   HG22  ILE  11          HG22      ILE  11   8.132   0.232  -4.832
   97   HG23  ILE  11          HG23      ILE  11   7.895   1.775  -4.012
   98   HD11  ILE  11          HD11      ILE  11  11.810   1.660  -4.837
   99   HD12  ILE  11          HD12      ILE  11  10.273   2.367  -4.338
  100   HD13  ILE  11          HD13      ILE  11  10.341   1.307  -5.746
  101    H    CYS  12           HN       CYS  12   8.172   3.556  -1.024
  102    HA   CYS  12           HA       CYS  12   6.220   1.891   0.421
  103    HB2  CYS  12           HB2      CYS  12   7.916   4.130   1.415
  104    HB3  CYS  12           HB1      CYS  12   6.271   4.014   2.032
  105    H    TYR  13           HN       TYR  13   4.412   2.153  -0.743
  106    HA   TYR  13           HA       TYR  13   3.429   4.892  -1.110
  107    HB2  TYR  13           HB2      TYR  13   2.638   4.382  -3.362
  108    HB3  TYR  13           HB1      TYR  13   4.381   4.157  -3.263
  109    HD1  TYR  13           HD1      TYR  13   5.085   1.655  -2.610
  110    HD2  TYR  13           HD2      TYR  13   1.425   2.768  -4.469
  111    HE1  TYR  13           HE1      TYR  13   4.844  -0.630  -3.488
  112    HE2  TYR  13           HE2      TYR  13   1.171   0.486  -5.350
  113    HH   TYR  13           HH       TYR  13   1.933  -1.754  -4.909
  114    H    ARG  14           HN       ARG  14   1.024   4.645  -2.037
  115    HA   ARG  14           HA       ARG  14  -0.351   2.444  -0.689
  116    HB2  ARG  14           HB2      ARG  14  -0.104   4.749   0.660
  117    HB3  ARG  14           HB1      ARG  14  -1.528   5.143  -0.295
  118    HG2  ARG  14           HG2      ARG  14  -1.846   2.533   0.818
  119    HG3  ARG  14           HG1      ARG  14  -1.384   3.660   2.094
  120    HD2  ARG  14           HD2      ARG  14  -3.435   4.617   0.204
  121    HD3  ARG  14           HD1      ARG  14  -3.921   3.291   1.259
  122    HE   ARG  14           HE       ARG  14  -2.741   5.109   2.924
  123   HH11  ARG  14          HH11      ARG  14  -5.386   5.197   0.650
  124   HH12  ARG  14          HH12      ARG  14  -6.253   6.420   1.515
  125   HH21  ARG  14          HH21      ARG  14  -3.880   6.718   4.064
  126   HH22  ARG  14          HH22      ARG  14  -5.399   7.285   3.453
  127    H    ARG  15           HN       ARG  15  -2.139   1.755  -1.738
  128    HA   ARG  15           HA       ARG  15  -3.338   3.456  -3.791
  129    HB2  ARG  15           HB2      ARG  15  -1.488   1.674  -4.580
  130    HB3  ARG  15           HB1      ARG  15  -2.898   0.623  -4.562
  131    HG2  ARG  15           HG2      ARG  15  -3.908   2.727  -5.896
  132    HG3  ARG  15           HG1      ARG  15  -2.211   2.845  -6.367
  133    HD2  ARG  15           HD2      ARG  15  -4.046   0.479  -6.707
  134    HD3  ARG  15           HD1      ARG  15  -3.356   1.488  -7.978
  135    HE   ARG  15           HE       ARG  15  -1.367   0.226  -6.348
  136   HH11  ARG  15          HH11      ARG  15  -3.493  -0.221  -9.079
  137   HH12  ARG  15          HH12      ARG  15  -2.511  -1.449  -9.801
  138   HH21  ARG  15          HH21      ARG  15  -0.073  -1.389  -7.297
  139   HH22  ARG  15          HH22      ARG  15  -0.569  -2.113  -8.791
  140    H    CYS  16           HN       CYS  16  -5.499   3.272  -3.898
  141    HA   CYS  16           HA       CYS  16  -6.751   1.167  -2.268
  142    HB2  CYS  16           HB2      CYS  16  -7.749   3.912  -3.048
  143    HB3  CYS  16           HB1      CYS  16  -8.724   2.714  -2.203
  144    H    ARG  17           HN       ARG  17  -9.102   0.723  -3.043
  145    HA   ARG  17           HA       ARG  17  -9.535   0.858  -5.881
  146    HB2  ARG  17           HB2      ARG  17  -7.946  -1.208  -5.132
  147    HB3  ARG  17           HB1      ARG  17  -9.529  -1.952  -4.970
  148    HG2  ARG  17           HG2      ARG  17  -9.999  -1.167  -7.324
  149    HG3  ARG  17           HG1      ARG  17  -8.285  -0.764  -7.432
  150    HD2  ARG  17           HD2      ARG  17  -8.029  -2.872  -8.145
  151    HD3  ARG  17           HD1      ARG  17  -8.210  -3.311  -6.446
  152    HE   ARG  17           HE       ARG  17 -10.718  -3.109  -7.808
  153   HH11  ARG  17          HH11      ARG  17  -7.994  -5.205  -7.204
  154   HH12  ARG  17          HH12      ARG  17  -8.891  -6.659  -7.480
  155   HH21  ARG  17          HH21      ARG  17 -11.900  -5.022  -8.170
  156   HH22  ARG  17          HH22      ARG  17 -11.109  -6.555  -8.028
  157    HN1  NH2  18           HN1      NH2  18 -11.595  -0.195  -6.497
  158    HN2  NH2  18           HN2      NH2  18 -12.850  -0.298  -5.315
  Start of MODEL    7
    1    H1   LYS   1           HT1      LYS   1 -11.330  -5.386   0.315
    2    H2   LYS   1           HT2      LYS   1 -12.050  -5.329  -1.242
    3    H3   LYS   1           HT3      LYS   1 -12.750  -4.459   0.062
    4    HA   LYS   1           HA       LYS   1 -10.034  -3.962  -0.934
    5    HB2  LYS   1           HB2      LYS   1 -11.128  -2.007  -2.102
    6    HB3  LYS   1           HB1      LYS   1 -11.471  -3.585  -2.799
    7    HG2  LYS   1           HG2      LYS   1 -13.364  -2.490  -0.788
    8    HG3  LYS   1           HG1      LYS   1 -13.368  -1.807  -2.416
    9    HD2  LYS   1           HD2      LYS   1 -13.363  -4.412  -3.037
   10    HD3  LYS   1           HD1      LYS   1 -14.181  -4.494  -1.476
   11    HE2  LYS   1           HE2      LYS   1 -15.485  -2.416  -2.604
   12    HE3  LYS   1           HE1      LYS   1 -15.089  -3.359  -4.041
   13    HZ1  LYS   1           HZ1      LYS   1 -16.812  -4.069  -1.772
   14    HZ2  LYS   1           HZ2      LYS   1 -16.020  -5.305  -2.612
   15    HZ3  LYS   1           HZ3      LYS   1 -17.080  -4.272  -3.430
   16    H    TRP   2           HN       TRP   2  -8.986  -2.496   0.269
   17    HA   TRP   2           HA       TRP   2 -10.427  -0.582   1.895
   18    HB2  TRP   2           HB2      TRP   2  -9.999  -2.911   3.131
   19    HB3  TRP   2           HB1      TRP   2  -8.423  -2.178   3.412
   20    HD1  TRP   2           HD1      TRP   2 -12.155  -1.228   3.938
   21    HE1  TRP   2           HE1      TRP   2 -12.320   0.131   6.118
   22    HE3  TRP   2           HE3      TRP   2  -7.191  -1.027   5.150
   23    HZ2  TRP   2           HZ2      TRP   2 -10.577   1.154   8.089
   24    HZ3  TRP   2           HZ3      TRP   2  -6.524   0.162   7.198
   25    HH2  TRP   2           HH2      TRP   2  -8.184   1.229   8.637
   26    H    CYS   3           HN       CYS   3  -9.018   1.035   2.846
   27    HA   CYS   3           HA       CYS   3  -6.734   1.555   1.139
   28    HB2  CYS   3           HB2      CYS   3  -7.711   3.300   3.393
   29    HB3  CYS   3           HB1      CYS   3  -6.787   3.776   1.974
   30    H    PHE   4           HN       PHE   4  -4.653   1.349   1.692
   31    HA   PHE   4           HA       PHE   4  -3.801   1.371   4.445
   32    HB2  PHE   4           HB2      PHE   4  -4.615  -1.052   3.643
   33    HB3  PHE   4           HB1      PHE   4  -2.968  -1.103   3.021
   34    HD1  PHE   4           HD1      PHE   4  -4.688  -0.002   6.150
   35    HD2  PHE   4           HD2      PHE   4  -1.434  -2.102   4.387
   36    HE1  PHE   4           HE1      PHE   4  -3.866  -0.600   8.390
   37    HE2  PHE   4           HE2      PHE   4  -0.606  -2.704   6.624
   38    HZ   PHE   4           HZ       PHE   4  -1.822  -1.953   8.630
   39    H    ARG   5           HN       ARG   5  -1.351   0.816   4.524
   40    HA   ARG   5           HA       ARG   5  -0.086   2.090   2.189
   41    HB2  ARG   5           HB2      ARG   5   0.038   3.446   4.227
   42    HB3  ARG   5           HB1      ARG   5   0.794   2.108   5.083
   43    HG2  ARG   5           HG2      ARG   5   2.600   3.427   4.547
   44    HG3  ARG   5           HG1      ARG   5   2.591   2.262   3.221
   45    HD2  ARG   5           HD2      ARG   5   2.840   4.244   2.079
   46    HD3  ARG   5           HD1      ARG   5   1.088   4.042   2.046
   47    HE   ARG   5           HE       ARG   5   1.501   5.511   4.280
   48   HH11  ARG   5          HH11      ARG   5   2.514   5.879   0.960
   49   HH12  ARG   5          HH12      ARG   5   2.545   7.608   1.031
   50   HH21  ARG   5          HH21      ARG   5   1.541   7.786   4.374
   51   HH22  ARG   5          HH22      ARG   5   1.993   8.692   2.969
   52    H    VAL   6           HN       VAL   6   1.132   0.789   1.004
   53    HA   VAL   6           HA       VAL   6   2.331  -1.578   2.283
   54    HB   VAL   6           HB       VAL   6   0.725  -2.112   0.502
   55   HG11  VAL   6          HG11      VAL   6   1.072  -0.037  -0.814
   56   HG12  VAL   6          HG12      VAL   6   1.110  -1.504  -1.792
   57   HG13  VAL   6          HG13      VAL   6   2.615  -0.689  -1.367
   58   HG21  VAL   6          HG21      VAL   6   2.008  -3.761  -0.524
   59   HG22  VAL   6          HG22      VAL   6   2.905  -3.414   0.955
   60   HG23  VAL   6          HG23      VAL   6   3.447  -2.742  -0.583
   61    H    CYS   7           HN       CYS   7   4.488  -1.889   2.203
   62    HA   CYS   7           HA       CYS   7   6.083   0.065   0.676
   63    HB2  CYS   7           HB2      CYS   7   6.413  -0.996   3.460
   64    HB3  CYS   7           HB1      CYS   7   7.830  -0.483   2.551
   65    H    TYR   8           HN       TYR   8   8.323  -0.710   0.192
   66    HA   TYR   8           HA       TYR   8   8.497  -3.619  -0.125
   67    HB2  TYR   8           HB2      TYR   8   8.646  -1.562  -2.314
   68    HB3  TYR   8           HB1      TYR   8   9.475  -3.107  -2.470
   69    HD1  TYR   8           HD2      TYR   8   7.743  -5.114  -1.553
   70    HD2  TYR   8           HD1      TYR   8   6.695  -1.495  -3.528
   71    HE1  TYR   8           HE2      TYR   8   5.661  -6.156  -2.342
   72    HE2  TYR   8           HE1      TYR   8   4.609  -2.526  -4.322
   73    HH   TYR   8           HH       TYR   8   4.049  -5.711  -4.412
   74    H    ARG   9           HN       ARG   9  10.806  -4.002  -1.303
   75    HA   ARG   9           HA       ARG   9  12.744  -3.533   0.602
   76    HB2  ARG   9           HB2      ARG   9  14.376  -4.243  -1.053
   77    HB3  ARG   9           HB1      ARG   9  12.925  -5.230  -1.174
   78    HG2  ARG   9           HG2      ARG   9  12.859  -2.903  -2.920
   79    HG3  ARG   9           HG1      ARG   9  14.213  -3.984  -3.253
   80    HD2  ARG   9           HD2      ARG   9  12.769  -5.826  -3.618
   81    HD3  ARG   9           HD1      ARG   9  11.384  -4.961  -2.954
   82    HE   ARG   9           HE       ARG   9  12.523  -3.694  -5.265
   83   HH11  ARG   9          HH11      ARG   9  10.290  -6.139  -4.165
   84   HH12  ARG   9          HH12      ARG   9   9.338  -6.097  -5.611
   85   HH21  ARG   9          HH21      ARG   9  11.271  -3.636  -7.167
   86   HH22  ARG   9          HH22      ARG   9   9.894  -4.677  -7.315
   87    H    GLY  10           HN       GLY  10  11.669  -1.439  -1.956
   88    HA2  GLY  10           HA2      GLY  10  13.313   0.699  -0.875
   89    HA3  GLY  10           HA1      GLY  10  13.662   0.251  -2.538
   90    H    ILE  11           HN       ILE  11  10.464   0.216  -1.072
   91    HA   ILE  11           HA       ILE  11   9.740   2.716  -2.368
   92    HB   ILE  11           HB       ILE  11   8.173   0.225  -3.021
   93   HG12  ILE  11          HG12      ILE  11  10.220   1.664  -4.726
   94   HG13  ILE  11          HG11      ILE  11  10.409   0.058  -4.029
   95   HG21  ILE  11          HG21      ILE  11   7.280   1.746  -4.824
   96   HG22  ILE  11          HG22      ILE  11   8.089   3.071  -3.988
   97   HG23  ILE  11          HG23      ILE  11   6.819   2.159  -3.173
   98   HD11  ILE  11          HD11      ILE  11   8.603   0.938  -6.247
   99   HD12  ILE  11          HD12      ILE  11   8.324  -0.564  -5.365
  100   HD13  ILE  11          HD13      ILE  11   9.831  -0.327  -6.249
  101    H    CYS  12           HN       CYS  12   7.746   3.584  -1.643
  102    HA   CYS  12           HA       CYS  12   6.190   2.182   0.335
  103    HB2  CYS  12           HB2      CYS  12   8.118   4.345   1.095
  104    HB3  CYS  12           HB1      CYS  12   6.597   4.198   1.969
  105    H    TYR  13           HN       TYR  13   4.293   2.601  -0.642
  106    HA   TYR  13           HA       TYR  13   3.492   5.414  -0.857
  107    HB2  TYR  13           HB2      TYR  13   2.343   4.920  -3.006
  108    HB3  TYR  13           HB1      TYR  13   4.094   4.774  -3.115
  109    HD1  TYR  13           HD2      TYR  13   1.056   2.688  -2.511
  110    HD2  TYR  13           HD1      TYR  13   5.002   2.879  -4.091
  111    HE1  TYR  13           HE2      TYR  13   0.803   0.411  -3.402
  112    HE2  TYR  13           HE1      TYR  13   4.759   0.602  -4.987
  113    HH   TYR  13           HH       TYR  13   3.019  -0.951  -5.624
  114    H    ARG  14           HN       ARG  14   1.022   5.485  -1.366
  115    HA   ARG  14           HA       ARG  14  -0.319   3.428   0.264
  116    HB2  ARG  14           HB2      ARG  14  -0.140   5.538   1.500
  117    HB3  ARG  14           HB1      ARG  14  -0.917   6.392   0.173
  118    HG2  ARG  14           HG2      ARG  14  -2.903   4.855   0.546
  119    HG3  ARG  14           HG1      ARG  14  -2.120   4.389   2.057
  120    HD2  ARG  14           HD2      ARG  14  -2.711   6.294   3.066
  121    HD3  ARG  14           HD1      ARG  14  -2.220   7.273   1.685
  122    HE   ARG  14           HE       ARG  14  -4.399   7.305   0.973
  123   HH11  ARG  14          HH11      ARG  14  -4.035   4.833   3.410
  124   HH12  ARG  14          HH12      ARG  14  -5.736   4.533   3.537
  125   HH21  ARG  14          HH21      ARG  14  -6.635   6.911   1.138
  126   HH22  ARG  14          HH22      ARG  14  -7.212   5.711   2.246
  127    H    ARG  15           HN       ARG  15  -2.001   2.441  -0.657
  128    HA   ARG  15           HA       ARG  15  -3.359   3.746  -2.908
  129    HB2  ARG  15           HB2      ARG  15  -1.537   1.852  -3.415
  130    HB3  ARG  15           HB1      ARG  15  -2.918   0.812  -3.097
  131    HG2  ARG  15           HG2      ARG  15  -3.087   1.097  -5.360
  132    HG3  ARG  15           HG1      ARG  15  -4.133   2.394  -4.780
  133    HD2  ARG  15           HD2      ARG  15  -1.287   3.090  -5.087
  134    HD3  ARG  15           HD1      ARG  15  -2.148   2.734  -6.584
  135    HE   ARG  15           HE       ARG  15  -3.633   4.522  -4.959
  136   HH11  ARG  15          HH11      ARG  15  -0.876   4.378  -7.093
  137   HH12  ARG  15          HH12      ARG  15  -0.991   6.043  -7.557
  138   HH21  ARG  15          HH21      ARG  15  -3.786   6.711  -5.569
  139   HH22  ARG  15          HH22      ARG  15  -2.643   7.367  -6.692
  140    H    CYS  16           HN       CYS  16  -5.492   2.912  -3.352
  141    HA   CYS  16           HA       CYS  16  -6.705   1.061  -1.516
  142    HB2  CYS  16           HB2      CYS  16  -6.699   3.091  -0.141
  143    HB3  CYS  16           HB1      CYS  16  -7.514   3.976  -1.426
  144    H    ARG  17           HN       ARG  17  -7.047   0.087  -3.613
  145    HA   ARG  17           HA       ARG  17  -8.849   1.415  -5.453
  146    HB2  ARG  17           HB2      ARG  17  -7.349  -1.180  -5.456
  147    HB3  ARG  17           HB1      ARG  17  -8.677  -0.939  -6.584
  148    HG2  ARG  17           HG2      ARG  17  -7.321   1.324  -7.025
  149    HG3  ARG  17           HG1      ARG  17  -5.990   0.279  -6.524
  150    HD2  ARG  17           HD2      ARG  17  -6.159  -1.046  -8.360
  151    HD3  ARG  17           HD1      ARG  17  -7.907  -0.852  -8.470
  152    HE   ARG  17           HE       ARG  17  -5.908   0.722  -9.786
  153   HH11  ARG  17          HH11      ARG  17  -9.167   0.744  -8.536
  154   HH12  ARG  17          HH12      ARG  17  -9.696   2.011  -9.592
  155   HH21  ARG  17          HH21      ARG  17  -6.603   2.387 -11.176
  156   HH22  ARG  17          HH22      ARG  17  -8.241   2.944 -11.090
  157    HN1  NH2  18           HN1      NH2  18 -10.592  -0.270  -6.373
  158    HN2  NH2  18           HN2      NH2  18 -11.655  -0.885  -5.158
  Start of MODEL    8
    1    H1   LYS   1           HT1      LYS   1 -13.988  -2.099  -0.804
    2    H2   LYS   1           HT2      LYS   1 -12.741  -0.933  -0.983
    3    H3   LYS   1           HT3      LYS   1 -14.320  -0.441  -0.522
    4    HA   LYS   1           HA       LYS   1 -13.147  -0.385   1.415
    5    HB2  LYS   1           HB2      LYS   1 -14.514  -3.070   1.153
    6    HB3  LYS   1           HB1      LYS   1 -14.062  -2.336   2.685
    7    HG2  LYS   1           HG2      LYS   1 -16.214  -1.649   2.603
    8    HG3  LYS   1           HG1      LYS   1 -15.487  -0.324   1.690
    9    HD2  LYS   1           HD2      LYS   1 -17.056  -0.847   0.159
   10    HD3  LYS   1           HD1      LYS   1 -15.921  -2.122  -0.287
   11    HE2  LYS   1           HE2      LYS   1 -17.697  -3.468   0.025
   12    HE3  LYS   1           HE1      LYS   1 -17.256  -3.330   1.726
   13    HZ1  LYS   1           HZ1      LYS   1 -18.803  -1.357   1.781
   14    HZ2  LYS   1           HZ2      LYS   1 -19.538  -2.871   1.613
   15    HZ3  LYS   1           HZ3      LYS   1 -19.370  -1.860   0.268
   16    H    TRP   2           HN       TRP   2 -10.993  -0.746  -0.026
   17    HA   TRP   2           HA       TRP   2  -9.483  -2.742   1.470
   18    HB2  TRP   2           HB2      TRP   2  -8.309  -3.406  -0.700
   19    HB3  TRP   2           HB1      TRP   2  -9.933  -4.037  -0.454
   20    HD1  TRP   2           HD1      TRP   2  -7.972  -1.578  -2.626
   21    HE1  TRP   2           HE1      TRP   2  -9.412  -0.949  -4.664
   22    HE3  TRP   2           HE3      TRP   2 -12.356  -3.821  -1.248
   23    HZ2  TRP   2           HZ2      TRP   2 -12.056  -1.349  -5.568
   24    HZ3  TRP   2           HZ3      TRP   2 -14.292  -3.651  -2.756
   25    HH2  TRP   2           HH2      TRP   2 -14.145  -2.440  -4.871
   26    H    CYS   3           HN       CYS   3  -8.577  -0.935   2.526
   27    HA   CYS   3           HA       CYS   3  -6.599   0.507   0.891
   28    HB2  CYS   3           HB2      CYS   3  -8.564   1.579   2.870
   29    HB3  CYS   3           HB1      CYS   3  -6.989   2.354   2.744
   30    H    PHE   4           HN       PHE   4  -4.623  -0.046   1.500
   31    HA   PHE   4           HA       PHE   4  -3.981  -0.193   4.340
   32    HB2  PHE   4           HB2      PHE   4  -2.825  -2.336   4.113
   33    HB3  PHE   4           HB1      PHE   4  -4.529  -2.507   3.706
   34    HD1  PHE   4           HD2      PHE   4  -5.150  -2.432   1.218
   35    HD2  PHE   4           HD1      PHE   4  -1.190  -3.064   2.642
   36    HE1  PHE   4           HE2      PHE   4  -4.534  -3.425  -0.947
   37    HE2  PHE   4           HE1      PHE   4  -0.567  -4.058   0.479
   38    HZ   PHE   4           HZ       PHE   4  -2.241  -4.241  -1.318
   39    H    ARG   5           HN       ARG   5  -1.758   0.085   4.806
   40    HA   ARG   5           HA       ARG   5  -0.309   1.444   2.656
   41    HB2  ARG   5           HB2      ARG   5  -0.773   2.329   5.118
   42    HB3  ARG   5           HB1      ARG   5   0.686   1.410   5.466
   43    HG2  ARG   5           HG2      ARG   5   2.020   2.779   4.180
   44    HG3  ARG   5           HG1      ARG   5   0.669   3.345   3.196
   45    HD2  ARG   5           HD2      ARG   5  -0.034   4.855   4.793
   46    HD3  ARG   5           HD1      ARG   5   0.728   3.970   6.114
   47    HE   ARG   5           HE       ARG   5   2.677   4.981   4.323
   48   HH11  ARG   5          HH11      ARG   5   0.497   5.972   6.861
   49   HH12  ARG   5          HH12      ARG   5   1.472   7.320   7.343
   50   HH21  ARG   5          HH21      ARG   5   3.960   6.754   4.955
   51   HH22  ARG   5          HH22      ARG   5   3.438   7.765   6.261
   52    H    VAL   6           HN       VAL   6   1.750   0.880   2.024
   53    HA   VAL   6           HA       VAL   6   3.209  -1.224   3.332
   54    HB   VAL   6           HB       VAL   6   1.588  -2.559   2.064
   55   HG11  VAL   6          HG11      VAL   6   1.584  -0.647   0.212
   56   HG12  VAL   6          HG12      VAL   6   1.119  -2.311  -0.144
   57   HG13  VAL   6          HG13      VAL   6   2.742  -1.743  -0.540
   58   HG21  VAL   6          HG21      VAL   6   4.057  -3.195   2.371
   59   HG22  VAL   6          HG22      VAL   6   4.226  -2.816   0.656
   60   HG23  VAL   6          HG23      VAL   6   3.116  -4.086   1.174
   61    H    CYS   7           HN       CYS   7   5.179  -0.366   3.299
   62    HA   CYS   7           HA       CYS   7   6.116   0.905   0.812
   63    HB2  CYS   7           HB2      CYS   7   6.660   1.523   3.699
   64    HB3  CYS   7           HB1      CYS   7   7.816   1.991   2.458
   65    H    TYR   8           HN       TYR   8   7.741  -0.046  -0.222
   66    HA   TYR   8           HA       TYR   8   9.083  -2.306   1.032
   67    HB2  TYR   8           HB2      TYR   8   8.684  -1.354  -1.761
   68    HB3  TYR   8           HB1      TYR   8  10.120  -2.316  -1.426
   69    HD1  TYR   8           HD1      TYR   8   6.534  -2.474  -0.360
   70    HD2  TYR   8           HD2      TYR   8   9.862  -4.515  -2.051
   71    HE1  TYR   8           HE1      TYR   8   5.189  -4.526  -0.518
   72    HE2  TYR   8           HE2      TYR   8   8.526  -6.572  -2.214
   73    HH   TYR   8           HH       TYR   8   5.782  -6.976  -2.380
   74    H    ARG   9           HN       ARG   9  11.377  -2.547   1.019
   75    HA   ARG   9           HA       ARG   9  12.805  -0.387   2.001
   76    HB2  ARG   9           HB2      ARG   9  13.859  -2.868   0.632
   77    HB3  ARG   9           HB1      ARG   9  14.833  -1.758   1.588
   78    HG2  ARG   9           HG2      ARG   9  14.403  -3.162   3.269
   79    HG3  ARG   9           HG1      ARG   9  12.837  -2.351   3.332
   80    HD2  ARG   9           HD2      ARG   9  11.797  -4.237   2.793
   81    HD3  ARG   9           HD1      ARG   9  12.762  -4.386   1.325
   82    HE   ARG   9           HE       ARG   9  14.071  -5.943   2.380
   83   HH11  ARG   9          HH11      ARG   9  12.142  -4.279   4.764
   84   HH12  ARG   9          HH12      ARG   9  12.585  -5.348   6.052
   85   HH21  ARG   9          HH21      ARG   9  14.655  -7.350   4.073
   86   HH22  ARG   9          HH22      ARG   9  14.013  -7.091   5.660
   87    H    GLY  10           HN       GLY  10  12.272  -1.376  -1.298
   88    HA2  GLY  10           HA2      GLY  10  14.334   0.380  -2.343
   89    HA3  GLY  10           HA1      GLY  10  13.233  -0.615  -3.285
   90    H    ILE  11           HN       ILE  11  10.809   0.321  -2.127
   91    HA   ILE  11           HA       ILE  11  10.703   3.183  -2.403
   92    HB   ILE  11           HB       ILE  11   9.011   3.050  -4.299
   93   HG12  ILE  11          HG12      ILE  11   9.517   1.089  -5.872
   94   HG13  ILE  11          HG11      ILE  11  10.249   0.306  -4.476
   95   HG21  ILE  11          HG21      ILE  11  11.760   2.269  -5.196
   96   HG22  ILE  11          HG22      ILE  11  11.466   3.806  -4.385
   97   HG23  ILE  11          HG23      ILE  11  10.650   3.441  -5.905
   98   HD11  ILE  11          HD11      ILE  11   8.270  -0.227  -3.598
   99   HD12  ILE  11          HD12      ILE  11   7.644   0.089  -5.216
  100   HD13  ILE  11          HD13      ILE  11   7.567   1.345  -3.979
  101    H    CYS  12           HN       CYS  12   8.490   4.019  -2.129
  102    HA   CYS  12           HA       CYS  12   7.033   2.362  -0.240
  103    HB2  CYS  12           HB2      CYS  12   7.241   5.239  -0.834
  104    HB3  CYS  12           HB1      CYS  12   5.624   4.702  -0.388
  105    H    TYR  13           HN       TYR  13   4.663   2.228  -0.343
  106    HA   TYR  13           HA       TYR  13   3.397   2.624  -2.907
  107    HB2  TYR  13           HB2      TYR  13   4.616   0.426  -3.111
  108    HB3  TYR  13           HB1      TYR  13   3.587  -0.191  -1.823
  109    HD1  TYR  13           HD2      TYR  13   2.996   1.809  -4.932
  110    HD2  TYR  13           HD1      TYR  13   1.956  -1.605  -2.617
  111    HE1  TYR  13           HE2      TYR  13   1.285   1.212  -6.594
  112    HE2  TYR  13           HE1      TYR  13   0.243  -2.213  -4.273
  113    HH   TYR  13           HH       TYR  13  -1.080  -1.204  -6.011
  114    H    ARG  14           HN       ARG  14   1.094   2.185  -2.852
  115    HA   ARG  14           HA       ARG  14  -0.156   1.549  -0.339
  116    HB2  ARG  14           HB2      ARG  14   0.576   4.133  -0.520
  117    HB3  ARG  14           HB1      ARG  14  -0.984   4.220  -1.324
  118    HG2  ARG  14           HG2      ARG  14  -1.672   2.798   0.847
  119    HG3  ARG  14           HG1      ARG  14  -0.333   3.738   1.508
  120    HD2  ARG  14           HD2      ARG  14  -1.457   5.693   1.362
  121    HD3  ARG  14           HD1      ARG  14  -2.269   5.236  -0.135
  122    HE   ARG  14           HE       ARG  14  -4.052   4.566   1.112
  123   HH11  ARG  14          HH11      ARG  14  -1.237   4.604   3.173
  124   HH12  ARG  14          HH12      ARG  14  -2.128   4.224   4.608
  125   HH21  ARG  14          HH21      ARG  14  -5.226   4.067   2.998
  126   HH22  ARG  14          HH22      ARG  14  -4.393   3.919   4.510
  127    H    ARG  15           HN       ARG  15  -2.008   0.532  -0.752
  128    HA   ARG  15           HA       ARG  15  -3.227   0.898  -3.405
  129    HB2  ARG  15           HB2      ARG  15  -2.335  -1.411  -2.321
  130    HB3  ARG  15           HB1      ARG  15  -4.000  -1.436  -1.759
  131    HG2  ARG  15           HG2      ARG  15  -3.992  -0.720  -4.512
  132    HG3  ARG  15           HG1      ARG  15  -2.985  -2.154  -4.297
  133    HD2  ARG  15           HD2      ARG  15  -5.125  -2.765  -2.737
  134    HD3  ARG  15           HD1      ARG  15  -5.889  -1.818  -4.013
  135    HE   ARG  15           HE       ARG  15  -4.336  -3.555  -5.384
  136   HH11  ARG  15          HH11      ARG  15  -6.727  -3.962  -2.874
  137   HH12  ARG  15          HH12      ARG  15  -7.218  -5.530  -3.422
  138   HH21  ARG  15          HH21      ARG  15  -4.980  -5.617  -6.106
  139   HH22  ARG  15          HH22      ARG  15  -6.226  -6.470  -5.256
  140    H    CYS  16           HN       CYS  16  -5.435   1.197  -3.608
  141    HA   CYS  16           HA       CYS  16  -7.171   1.192  -1.318
  142    HB2  CYS  16           HB2      CYS  16  -5.938   3.691  -2.266
  143    HB3  CYS  16           HB1      CYS  16  -7.689   3.761  -2.103
  144    H    ARG  17           HN       ARG  17  -9.313   2.512  -2.116
  145    HA   ARG  17           HA       ARG  17 -10.086   1.107  -4.551
  146    HB2  ARG  17           HB2      ARG  17 -12.376   1.624  -3.901
  147    HB3  ARG  17           HB1      ARG  17 -11.508   0.897  -2.555
  148    HG2  ARG  17           HG2      ARG  17 -11.329   2.961  -1.428
  149    HG3  ARG  17           HG1      ARG  17 -11.827   3.868  -2.858
  150    HD2  ARG  17           HD2      ARG  17 -13.602   1.873  -1.470
  151    HD3  ARG  17           HD1      ARG  17 -13.576   3.586  -1.057
  152    HE   ARG  17           HE       ARG  17 -14.863   2.390  -3.293
  153   HH11  ARG  17          HH11      ARG  17 -13.194   5.277  -2.265
  154   HH12  ARG  17          HH12      ARG  17 -13.993   6.298  -3.414
  155   HH21  ARG  17          HH21      ARG  17 -15.914   3.732  -4.805
  156   HH22  ARG  17          HH22      ARG  17 -15.537   5.422  -4.855
  157    HN1  NH2  18           HN1      NH2  18  -9.701   4.358  -3.322
  158    HN2  NH2  18           HN2      NH2  18 -10.036   5.174  -4.808
  Start of MODEL    9
    1    H1   LYS   1           HT1      LYS   1 -10.874  -5.484   3.454
    2    H2   LYS   1           HT2      LYS   1 -11.815  -4.237   2.746
    3    H3   LYS   1           HT3      LYS   1 -10.268  -3.882   3.401
    4    HA   LYS   1           HA       LYS   1  -9.166  -4.986   1.737
    5    HB2  LYS   1           HB2      LYS   1 -11.146  -6.785   1.885
    6    HB3  LYS   1           HB1      LYS   1 -11.652  -5.953   0.421
    7    HG2  LYS   1           HG2      LYS   1  -9.120  -6.326  -0.236
    8    HG3  LYS   1           HG1      LYS   1  -9.274  -7.655   0.915
    9    HD2  LYS   1           HD2      LYS   1  -9.832  -8.605  -1.152
   10    HD3  LYS   1           HD1      LYS   1 -11.388  -8.288  -0.381
   11    HE2  LYS   1           HE2      LYS   1 -11.813  -7.419  -2.444
   12    HE3  LYS   1           HE1      LYS   1 -11.145  -5.988  -1.662
   13    HZ1  LYS   1           HZ1      LYS   1  -8.929  -7.096  -2.608
   14    HZ2  LYS   1           HZ2      LYS   1  -9.850  -5.983  -3.488
   15    HZ3  LYS   1           HZ3      LYS   1 -10.027  -7.641  -3.775
   16    H    TRP   2           HN       TRP   2 -10.278  -2.386   2.074
   17    HA   TRP   2           HA       TRP   2 -11.075  -1.673  -0.665
   18    HB2  TRP   2           HB2      TRP   2 -11.326  -0.051   1.877
   19    HB3  TRP   2           HB1      TRP   2 -11.908   0.429   0.286
   20    HD1  TRP   2           HD1      TRP   2 -13.124  -2.587  -0.343
   21    HE1  TRP   2           HE1      TRP   2 -15.378  -3.184   0.748
   22    HE3  TRP   2           HE3      TRP   2 -13.145   0.867   3.427
   23    HZ2  TRP   2           HZ2      TRP   2 -16.956  -2.308   2.918
   24    HZ3  TRP   2           HZ3      TRP   2 -15.063   0.921   4.967
   25    HH2  TRP   2           HH2      TRP   2 -16.929  -0.634   4.715
   26    H    CYS   3           HN       CYS   3  -9.041  -0.489   2.011
   27    HA   CYS   3           HA       CYS   3  -7.143   0.513  -0.003
   28    HB2  CYS   3           HB2      CYS   3  -7.714   1.912   2.611
   29    HB3  CYS   3           HB1      CYS   3  -6.746   2.503   1.264
   30    H    PHE   4           HN       PHE   4  -4.947   0.433   0.563
   31    HA   PHE   4           HA       PHE   4  -4.193  -0.733   3.112
   32    HB2  PHE   4           HB2      PHE   4  -2.970  -2.599   2.107
   33    HB3  PHE   4           HB1      PHE   4  -4.685  -2.700   1.725
   34    HD1  PHE   4           HD2      PHE   4  -5.371  -1.571  -0.553
   35    HD2  PHE   4           HD1      PHE   4  -1.446  -2.901   0.417
   36    HE1  PHE   4           HE2      PHE   4  -4.830  -1.710  -2.950
   37    HE2  PHE   4           HE1      PHE   4  -0.898  -3.041  -1.978
   38    HZ   PHE   4           HZ       PHE   4  -2.592  -2.447  -3.664
   39    H    ARG   5           HN       ARG   5  -1.871  -0.723   3.465
   40    HA   ARG   5           HA       ARG   5  -0.369   1.018   1.641
   41    HB2  ARG   5           HB2      ARG   5   0.576   2.200   3.635
   42    HB3  ARG   5           HB1      ARG   5  -1.131   2.510   3.355
   43    HG2  ARG   5           HG2      ARG   5  -1.380   0.475   5.042
   44    HG3  ARG   5           HG1      ARG   5   0.199   1.063   5.567
   45    HD2  ARG   5           HD2      ARG   5  -0.645   3.143   6.187
   46    HD3  ARG   5           HD1      ARG   5  -2.097   2.951   5.205
   47    HE   ARG   5           HE       ARG   5  -1.715   2.081   7.901
   48   HH11  ARG   5          HH11      ARG   5  -3.422   1.396   4.935
   49   HH12  ARG   5          HH12      ARG   5  -4.730   0.587   5.729
   50   HH21  ARG   5          HH21      ARG   5  -3.435   1.017   8.946
   51   HH22  ARG   5          HH22      ARG   5  -4.740   0.372   8.005
   52    H    VAL   6           HN       VAL   6   1.578   0.226   1.171
   53    HA   VAL   6           HA       VAL   6   3.075  -1.310   3.121
   54    HB   VAL   6           HB       VAL   6   3.485  -3.145   1.392
   55   HG11  VAL   6          HG11      VAL   6   1.840  -3.030   3.504
   56   HG12  VAL   6          HG12      VAL   6   2.014  -4.464   2.494
   57   HG13  VAL   6          HG13      VAL   6   0.661  -3.361   2.234
   58   HG21  VAL   6          HG21      VAL   6   2.057  -1.590  -0.281
   59   HG22  VAL   6          HG22      VAL   6   0.787  -2.666   0.302
   60   HG23  VAL   6          HG23      VAL   6   2.224  -3.335  -0.472
   61    H    CYS   7           HN       CYS   7   5.008  -0.386   3.057
   62    HA   CYS   7           HA       CYS   7   6.261   0.078   0.445
   63    HB2  CYS   7           HB2      CYS   7   6.254   2.064   2.728
   64    HB3  CYS   7           HB1      CYS   7   7.158   2.236   1.226
   65    H    TYR   8           HN       TYR   8   8.223  -0.782   0.329
   66    HA   TYR   8           HA       TYR   8   9.550  -1.573   2.826
   67    HB2  TYR   8           HB2      TYR   8   9.386  -2.738   0.112
   68    HB3  TYR   8           HB1      TYR   8  10.954  -2.864   0.902
   69    HD1  TYR   8           HD2      TYR   8  10.980  -3.862   3.284
   70    HD2  TYR   8           HD1      TYR   8   7.707  -4.279   0.599
   71    HE1  TYR   8           HE2      TYR   8  10.184  -5.804   4.565
   72    HE2  TYR   8           HE1      TYR   8   6.901  -6.221   1.873
   73    HH   TYR   8           HH       TYR   8   8.477  -8.011   3.692
   74    H    ARG   9           HN       ARG   9  12.047  -1.697   2.519
   75    HA   ARG   9           HA       ARG   9  13.003   0.932   2.281
   76    HB2  ARG   9           HB2      ARG   9  14.562  -1.657   2.207
   77    HB3  ARG   9           HB1      ARG   9  15.243  -0.062   2.495
   78    HG2  ARG   9           HG2      ARG   9  15.043  -0.714   4.645
   79    HG3  ARG   9           HG1      ARG   9  13.408  -0.085   4.432
   80    HD2  ARG   9           HD2      ARG   9  12.540  -2.090   4.824
   81    HD3  ARG   9           HD1      ARG   9  13.510  -2.802   3.535
   82    HE   ARG   9           HE       ARG   9  14.037  -2.891   6.367
   83   HH11  ARG   9          HH11      ARG   9  15.415  -3.179   3.173
   84   HH12  ARG   9          HH12      ARG   9  16.751  -4.145   3.700
   85   HH21  ARG   9          HH21      ARG   9  15.795  -4.162   7.062
   86   HH22  ARG   9          HH22      ARG   9  16.966  -4.703   5.908
   87    H    GLY  10           HN       GLY  10  12.509  -1.525  -0.085
   88    HA2  GLY  10           HA2      GLY  10  14.347  -0.331  -1.997
   89    HA3  GLY  10           HA1      GLY  10  13.348  -1.750  -2.258
   90    H    ILE  11           HN       ILE  11  10.887  -0.429  -1.387
   91    HA   ILE  11           HA       ILE  11  10.499   1.807  -3.170
   92    HB   ILE  11           HB       ILE  11   8.625   0.639  -4.407
   93   HG12  ILE  11          HG12      ILE  11  10.065  -1.812  -3.365
   94   HG13  ILE  11          HG11      ILE  11   8.428  -1.319  -2.946
   95   HG21  ILE  11          HG21      ILE  11  11.002   1.154  -5.239
   96   HG22  ILE  11          HG22      ILE  11  10.029   0.002  -6.153
   97   HG23  ILE  11          HG23      ILE  11  11.285  -0.577  -5.058
   98   HD11  ILE  11          HD11      ILE  11   9.332  -2.903  -5.138
   99   HD12  ILE  11          HD12      ILE  11   8.517  -1.462  -5.747
  100   HD13  ILE  11          HD13      ILE  11   7.683  -2.541  -4.627
  101    H    CYS  12           HN       CYS  12   8.073   2.380  -3.247
  102    HA   CYS  12           HA       CYS  12   6.700   1.618  -0.774
  103    HB2  CYS  12           HB2      CYS  12   7.893   3.653  -0.202
  104    HB3  CYS  12           HB1      CYS  12   7.271   4.462  -1.635
  105    H    TYR  13           HN       TYR  13   4.684   1.045  -1.222
  106    HA   TYR  13           HA       TYR  13   3.306   2.360  -3.466
  107    HB2  TYR  13           HB2      TYR  13   3.480  -0.575  -2.823
  108    HB3  TYR  13           HB1      TYR  13   2.142   0.076  -3.764
  109    HD1  TYR  13           HD2      TYR  13   3.111   1.832  -5.668
  110    HD2  TYR  13           HD1      TYR  13   5.115  -1.574  -4.090
  111    HE1  TYR  13           HE2      TYR  13   4.476   1.698  -7.708
  112    HE2  TYR  13           HE1      TYR  13   6.486  -1.717  -6.126
  113    HH   TYR  13           HH       TYR  13   6.152  -0.925  -8.631
  114    H    ARG  14           HN       ARG  14   1.256   3.006  -3.092
  115    HA   ARG  14           HA       ARG  14  -0.310   1.912  -0.933
  116    HB2  ARG  14           HB2      ARG  14   1.353   3.882  -0.155
  117    HB3  ARG  14           HB1      ARG  14  -0.006   4.853  -0.705
  118    HG2  ARG  14           HG2      ARG  14  -1.291   3.010   0.794
  119    HG3  ARG  14           HG1      ARG  14   0.250   3.117   1.649
  120    HD2  ARG  14           HD2      ARG  14  -0.765   4.838   2.696
  121    HD3  ARG  14           HD1      ARG  14  -0.248   5.730   1.266
  122    HE   ARG  14           HE       ARG  14  -2.829   4.514   0.969
  123   HH11  ARG  14          HH11      ARG  14  -1.123   7.308   2.180
  124   HH12  ARG  14          HH12      ARG  14  -2.501   8.351   2.070
  125   HH21  ARG  14          HH21      ARG  14  -4.642   5.885   0.825
  126   HH22  ARG  14          HH22      ARG  14  -4.498   7.543   1.302
  127    H    ARG  15           HN       ARG  15  -2.491   2.329  -1.147
  128    HA   ARG  15           HA       ARG  15  -3.466   4.332  -2.964
  129    HB2  ARG  15           HB2      ARG  15  -4.538   2.812  -4.534
  130    HB3  ARG  15           HB1      ARG  15  -2.798   2.564  -4.539
  131    HG2  ARG  15           HG2      ARG  15  -3.389   0.703  -2.779
  132    HG3  ARG  15           HG1      ARG  15  -4.967   0.784  -3.565
  133    HD2  ARG  15           HD2      ARG  15  -3.226   0.744  -5.691
  134    HD3  ARG  15           HD1      ARG  15  -2.444  -0.325  -4.527
  135    HE   ARG  15           HE       ARG  15  -4.107  -1.859  -4.869
  136   HH11  ARG  15          HH11      ARG  15  -5.135   1.222  -6.146
  137   HH12  ARG  15          HH12      ARG  15  -6.559   0.579  -6.893
  138   HH21  ARG  15          HH21      ARG  15  -5.980  -2.707  -5.849
  139   HH22  ARG  15          HH22      ARG  15  -7.040  -1.651  -6.724
  140    H    CYS  16           HN       CYS  16  -5.772   4.534  -2.927
  141    HA   CYS  16           HA       CYS  16  -7.290   2.852  -1.131
  142    HB2  CYS  16           HB2      CYS  16  -6.217   4.438   0.417
  143    HB3  CYS  16           HB1      CYS  16  -6.881   5.783  -0.503
  144    H    ARG  17           HN       ARG  17  -8.708   2.414  -2.773
  145    HA   ARG  17           HA       ARG  17 -10.627   4.486  -3.383
  146    HB2  ARG  17           HB2      ARG  17  -8.590   4.343  -5.136
  147    HB3  ARG  17           HB1      ARG  17  -9.638   3.106  -5.814
  148    HG2  ARG  17           HG2      ARG  17 -11.434   5.063  -5.460
  149    HG3  ARG  17           HG1      ARG  17  -9.978   6.030  -5.705
  150    HD2  ARG  17           HD2      ARG  17  -9.571   5.018  -7.823
  151    HD3  ARG  17           HD1      ARG  17 -10.823   3.806  -7.551
  152    HE   ARG  17           HE       ARG  17 -11.973   6.368  -7.437
  153   HH11  ARG  17          HH11      ARG  17 -10.562   4.158  -9.740
  154   HH12  ARG  17          HH12      ARG  17 -11.487   4.761 -11.074
  155   HH21  ARG  17          HH21      ARG  17 -13.191   7.162  -9.190
  156   HH22  ARG  17          HH22      ARG  17 -12.980   6.467 -10.763
  157    HN1  NH2  18           HN1      NH2  18 -12.298   3.332  -2.584
  158    HN2  NH2  18           HN2      NH2  18 -12.786   1.775  -3.154
  Start of MODEL   10
    1    H1   LYS   1           HT1      LYS   1 -14.505  -1.618   1.253
    2    H2   LYS   1           HT2      LYS   1 -15.089  -0.029   1.532
    3    H3   LYS   1           HT3      LYS   1 -14.093  -0.798   2.700
    4    HA   LYS   1           HA       LYS   1 -13.203  -0.256  -0.042
    5    HB2  LYS   1           HB2      LYS   1 -12.170   1.782   0.826
    6    HB3  LYS   1           HB1      LYS   1 -13.916   1.841   1.029
    7    HG2  LYS   1           HG2      LYS   1 -13.528   1.040   3.400
    8    HG3  LYS   1           HG1      LYS   1 -11.818   1.377   3.125
    9    HD2  LYS   1           HD2      LYS   1 -12.917   3.688   2.264
   10    HD3  LYS   1           HD1      LYS   1 -14.082   3.227   3.506
   11    HE2  LYS   1           HE2      LYS   1 -12.649   4.277   4.887
   12    HE3  LYS   1           HE1      LYS   1 -11.759   2.757   4.804
   13    HZ1  LYS   1           HZ1      LYS   1 -10.213   3.637   3.368
   14    HZ2  LYS   1           HZ2      LYS   1 -10.540   4.972   4.354
   15    HZ3  LYS   1           HZ3      LYS   1 -11.239   4.865   2.818
   16    H    TRP   2           HN       TRP   2 -11.445  -1.433  -0.388
   17    HA   TRP   2           HA       TRP   2 -10.000  -2.603   1.840
   18    HB2  TRP   2           HB2      TRP   2  -9.387  -2.923  -1.099
   19    HB3  TRP   2           HB1      TRP   2  -8.920  -3.989   0.222
   20    HD1  TRP   2           HD1      TRP   2 -11.024  -4.267  -2.537
   21    HE1  TRP   2           HE1      TRP   2 -13.143  -5.660  -2.098
   22    HE3  TRP   2           HE3      TRP   2 -11.026  -4.154   2.574
   23    HZ2  TRP   2           HZ2      TRP   2 -14.620  -6.588   0.121
   24    HZ3  TRP   2           HZ3      TRP   2 -12.827  -5.319   3.779
   25    HH2  TRP   2           HH2      TRP   2 -14.587  -6.510   2.576
   26    H    CYS   3           HN       CYS   3  -8.633  -1.234   2.818
   27    HA   CYS   3           HA       CYS   3  -6.964   0.532   1.182
   28    HB2  CYS   3           HB2      CYS   3  -8.346   1.156   3.381
   29    HB3  CYS   3           HB1      CYS   3  -6.858   0.620   4.154
   30    H    PHE   4           HN       PHE   4  -4.966  -0.064   0.697
   31    HA   PHE   4           HA       PHE   4  -3.589  -1.962   2.483
   32    HB2  PHE   4           HB2      PHE   4  -3.817  -1.831  -0.476
   33    HB3  PHE   4           HB1      PHE   4  -2.253  -2.309   0.179
   34    HD1  PHE   4           HD1      PHE   4  -5.838  -3.053   0.926
   35    HD2  PHE   4           HD2      PHE   4  -1.919  -4.567   0.254
   36    HE1  PHE   4           HE1      PHE   4  -6.676  -5.345   1.237
   37    HE2  PHE   4           HE2      PHE   4  -2.749  -6.863   0.563
   38    HZ   PHE   4           HZ       PHE   4  -5.130  -7.255   1.055
   39    H    ARG   5           HN       ARG   5  -1.597  -1.452   3.210
   40    HA   ARG   5           HA       ARG   5  -0.185   0.818   2.014
   41    HB2  ARG   5           HB2      ARG   5  -1.260   0.648   4.782
   42    HB3  ARG   5           HB1      ARG   5   0.332   1.367   4.578
   43    HG2  ARG   5           HG2      ARG   5  -0.930   3.237   4.379
   44    HG3  ARG   5           HG1      ARG   5  -0.937   2.727   2.690
   45    HD2  ARG   5           HD2      ARG   5  -3.062   1.372   3.471
   46    HD3  ARG   5           HD1      ARG   5  -3.106   2.610   4.725
   47    HE   ARG   5           HE       ARG   5  -3.785   2.931   1.972
   48   HH11  ARG   5          HH11      ARG   5  -2.495   4.592   4.756
   49   HH12  ARG   5          HH12      ARG   5  -2.993   6.158   4.209
   50   HH21  ARG   5          HH21      ARG   5  -4.440   4.989   1.250
   51   HH22  ARG   5          HH22      ARG   5  -4.098   6.383   2.219
   52    H    VAL   6           HN       VAL   6   1.663  -0.087   1.377
   53    HA   VAL   6           HA       VAL   6   3.349  -1.372   3.363
   54    HB   VAL   6           HB       VAL   6   2.783  -2.789   0.759
   55   HG11  VAL   6          HG11      VAL   6   4.852  -3.548   1.330
   56   HG12  VAL   6          HG12      VAL   6   3.877  -4.652   2.301
   57   HG13  VAL   6          HG13      VAL   6   4.614  -3.236   3.050
   58   HG21  VAL   6          HG21      VAL   6   1.590  -4.461   2.122
   59   HG22  VAL   6          HG22      VAL   6   0.797  -2.886   2.144
   60   HG23  VAL   6          HG23      VAL   6   1.757  -3.408   3.528
   61    H    CYS   7           HN       CYS   7   5.390  -0.710   3.132
   62    HA   CYS   7           HA       CYS   7   6.408  -0.026   0.486
   63    HB2  CYS   7           HB2      CYS   7   6.560   1.906   2.808
   64    HB3  CYS   7           HB1      CYS   7   7.232   2.152   1.198
   65    H    TYR   8           HN       TYR   8   8.552  -0.408   0.232
   66    HA   TYR   8           HA       TYR   8   9.952  -1.540   2.552
   67    HB2  TYR   8           HB2      TYR   8   9.545  -2.691   0.147
   68    HB3  TYR   8           HB1      TYR   8  11.079  -1.887  -0.166
   69    HD1  TYR   8           HD1      TYR   8   9.513  -3.965   2.524
   70    HD2  TYR   8           HD2      TYR   8  12.985  -3.121   0.214
   71    HE1  TYR   8           HE1      TYR   8  10.698  -5.805   3.644
   72    HE2  TYR   8           HE2      TYR   8  14.180  -4.959   1.327
   73    HH   TYR   8           HH       TYR   8  14.078  -6.253   3.369
   74    H    ARG   9           HN       ARG   9  12.524  -1.403   1.924
   75    HA   ARG   9           HA       ARG   9  13.325   1.147   2.622
   76    HB2  ARG   9           HB2      ARG   9  14.586  -1.223   2.393
   77    HB3  ARG   9           HB1      ARG   9  15.226  -0.412   0.972
   78    HG2  ARG   9           HG2      ARG   9  15.750   1.526   2.591
   79    HG3  ARG   9           HG1      ARG   9  15.540   0.311   3.855
   80    HD2  ARG   9           HD2      ARG   9  17.404  -0.007   1.509
   81    HD3  ARG   9           HD1      ARG   9  17.900   0.628   3.079
   82    HE   ARG   9           HE       ARG   9  16.628  -1.842   3.462
   83   HH11  ARG   9          HH11      ARG   9  19.564  -0.538   2.099
   84   HH12  ARG   9          HH12      ARG   9  20.490  -1.969   2.405
   85   HH21  ARG   9          HH21      ARG   9  17.844  -3.725   3.865
   86   HH22  ARG   9          HH22      ARG   9  19.513  -3.778   3.407
   87    H    GLY  10           HN       GLY  10  12.714  -0.175  -0.560
   88    HA2  GLY  10           HA2      GLY  10  13.021   2.522  -1.664
   89    HA3  GLY  10           HA1      GLY  10  13.951   1.227  -2.400
   90    H    ILE  11           HN       ILE  11  10.782   0.578  -1.133
   91    HA   ILE  11           HA       ILE  11   9.542   0.854  -3.759
   92    HB   ILE  11           HB       ILE  11   9.476  -1.783  -2.289
   93   HG12  ILE  11          HG12      ILE  11  10.713  -2.482  -4.494
   94   HG13  ILE  11          HG11      ILE  11  11.181  -0.786  -4.544
   95   HG21  ILE  11          HG21      ILE  11   8.095  -0.677  -4.659
   96   HG22  ILE  11          HG22      ILE  11   7.543  -1.856  -3.470
   97   HG23  ILE  11          HG23      ILE  11   8.639  -2.352  -4.760
   98   HD11  ILE  11          HD11      ILE  11  12.922  -1.450  -3.324
   99   HD12  ILE  11          HD12      ILE  11  12.133  -2.951  -2.837
  100   HD13  ILE  11          HD13      ILE  11  11.785  -1.451  -1.976
  101    H    CYS  12           HN       CYS  12   8.232   2.439  -2.811
  102    HA   CYS  12           HA       CYS  12   6.401   1.500  -0.712
  103    HB2  CYS  12           HB2      CYS  12   7.725   3.524  -0.177
  104    HB3  CYS  12           HB1      CYS  12   7.005   4.339  -1.560
  105    H    TYR  13           HN       TYR  13   4.303   1.243  -1.132
  106    HA   TYR  13           HA       TYR  13   3.076   2.616  -3.387
  107    HB2  TYR  13           HB2      TYR  13   3.733  -0.243  -3.352
  108    HB3  TYR  13           HB1      TYR  13   2.045   0.088  -3.726
  109    HD1  TYR  13           HD1      TYR  13   1.505   1.595  -5.670
  110    HD2  TYR  13           HD2      TYR  13   5.431   0.119  -4.952
  111    HE1  TYR  13           HE1      TYR  13   2.118   2.115  -7.994
  112    HE2  TYR  13           HE2      TYR  13   6.055   0.637  -7.274
  113    HH   TYR  13           HH       TYR  13   3.966   1.141  -9.672
  114    H    ARG  14           HN       ARG  14   0.889   2.938  -3.160
  115    HA   ARG  14           HA       ARG  14  -0.385   1.797  -0.766
  116    HB2  ARG  14           HB2      ARG  14  -0.662   4.659  -1.701
  117    HB3  ARG  14           HB1      ARG  14  -1.445   3.942  -0.299
  118    HG2  ARG  14           HG2      ARG  14   0.383   4.138   0.985
  119    HG3  ARG  14           HG1      ARG  14   1.480   3.710  -0.330
  120    HD2  ARG  14           HD2      ARG  14   1.680   6.066   0.553
  121    HD3  ARG  14           HD1      ARG  14   1.459   5.912  -1.189
  122    HE   ARG  14           HE       ARG  14  -0.568   6.965  -0.997
  123   HH11  ARG  14          HH11      ARG  14   0.526   6.011   2.177
  124   HH12  ARG  14          HH12      ARG  14  -0.715   6.891   3.005
  125   HH21  ARG  14          HH21      ARG  14  -2.200   8.122   0.091
  126   HH22  ARG  14          HH22      ARG  14  -2.263   8.089   1.822
  127    H    ARG  15           HN       ARG  15  -2.415   1.056  -1.039
  128    HA   ARG  15           HA       ARG  15  -3.828   1.756  -3.520
  129    HB2  ARG  15           HB2      ARG  15  -3.817  -1.035  -2.383
  130    HB3  ARG  15           HB1      ARG  15  -4.415  -0.507  -3.949
  131    HG2  ARG  15           HG2      ARG  15  -1.880   0.222  -4.243
  132    HG3  ARG  15           HG1      ARG  15  -1.646  -1.067  -3.060
  133    HD2  ARG  15           HD2      ARG  15  -3.244  -1.421  -5.587
  134    HD3  ARG  15           HD1      ARG  15  -1.513  -1.748  -5.492
  135    HE   ARG  15           HE       ARG  15  -3.636  -3.383  -4.487
  136   HH11  ARG  15          HH11      ARG  15  -0.291  -2.499  -4.031
  137   HH12  ARG  15          HH12      ARG  15   0.127  -3.988  -3.253
  138   HH21  ARG  15          HH21      ARG  15  -3.089  -5.342  -3.461
  139   HH22  ARG  15          HH22      ARG  15  -1.462  -5.602  -2.930
  140    H    CYS  16           HN       CYS  16  -5.302   3.077  -2.519
  141    HA   CYS  16           HA       CYS  16  -7.216   1.718  -0.755
  142    HB2  CYS  16           HB2      CYS  16  -5.533   3.344   0.413
  143    HB3  CYS  16           HB1      CYS  16  -6.544   4.603  -0.288
  144    H    ARG  17           HN       ARG  17  -7.263   2.295  -3.605
  145    HA   ARG  17           HA       ARG  17  -9.241   4.428  -3.848
  146    HB2  ARG  17           HB2      ARG  17  -7.449   2.978  -5.708
  147    HB3  ARG  17           HB1      ARG  17  -9.007   3.465  -6.361
  148    HG2  ARG  17           HG2      ARG  17  -7.840   5.331  -6.867
  149    HG3  ARG  17           HG1      ARG  17  -8.312   5.771  -5.225
  150    HD2  ARG  17           HD2      ARG  17  -5.849   4.196  -5.383
  151    HD3  ARG  17           HD1      ARG  17  -5.753   5.762  -6.186
  152    HE   ARG  17           HE       ARG  17  -5.738   5.302  -3.401
  153   HH11  ARG  17          HH11      ARG  17  -7.029   7.499  -5.787
  154   HH12  ARG  17          HH12      ARG  17  -7.108   8.838  -4.693
  155   HH21  ARG  17          HH21      ARG  17  -5.842   7.063  -1.962
  156   HH22  ARG  17          HH22      ARG  17  -6.434   8.592  -2.521
  157    HN1  NH2  18           HN1      NH2  18  -8.936   1.007  -4.790
  158    HN2  NH2  18           HN2      NH2  18 -10.629   0.663  -4.733
  Start of MODEL   11
    1    H1   LYS   1           HT1      LYS   1  -9.481  -5.270   4.770
    2    H2   LYS   1           HT2      LYS   1 -10.071  -3.660   4.814
    3    H3   LYS   1           HT3      LYS   1  -8.659  -4.035   3.912
    4    HA   LYS   1           HA       LYS   1  -9.818  -5.171   2.315
    5    HB2  LYS   1           HB2      LYS   1 -12.033  -5.148   4.362
    6    HB3  LYS   1           HB1      LYS   1 -12.326  -5.552   2.675
    7    HG2  LYS   1           HG2      LYS   1 -11.328  -7.572   2.840
    8    HG3  LYS   1           HG1      LYS   1 -10.137  -7.012   4.016
    9    HD2  LYS   1           HD2      LYS   1 -11.922  -6.972   5.735
   10    HD3  LYS   1           HD1      LYS   1 -13.039  -7.647   4.548
   11    HE2  LYS   1           HE2      LYS   1 -12.268  -9.473   5.833
   12    HE3  LYS   1           HE1      LYS   1 -11.413  -9.563   4.294
   13    HZ1  LYS   1           HZ1      LYS   1 -10.386  -8.875   6.953
   14    HZ2  LYS   1           HZ2      LYS   1  -9.647  -8.179   5.601
   15    HZ3  LYS   1           HZ3      LYS   1  -9.706  -9.862   5.757
   16    H    TRP   2           HN       TRP   2  -9.245  -2.415   2.899
   17    HA   TRP   2           HA       TRP   2 -11.272  -1.187   1.187
   18    HB2  TRP   2           HB2      TRP   2 -10.443  -0.182   3.903
   19    HB3  TRP   2           HB1      TRP   2 -11.100   0.900   2.679
   20    HD1  TRP   2           HD1      TRP   2 -13.474  -0.748   1.545
   21    HE1  TRP   2           HE1      TRP   2 -15.515  -1.312   3.009
   22    HE3  TRP   2           HE3      TRP   2 -11.336  -0.223   6.159
   23    HZ2  TRP   2           HZ2      TRP   2 -16.137  -1.507   5.755
   24    HZ3  TRP   2           HZ3      TRP   2 -12.722  -0.615   8.153
   25    HH2  TRP   2           HH2      TRP   2 -15.072  -1.244   7.954
   26    H    CYS   3           HN       CYS   3  -8.165  -0.737   2.854
   27    HA   CYS   3           HA       CYS   3  -7.174   0.623   0.436
   28    HB2  CYS   3           HB2      CYS   3  -7.011   1.402   3.282
   29    HB3  CYS   3           HB1      CYS   3  -5.519   1.576   2.365
   30    H    PHE   4           HN       PHE   4  -5.382  -0.191  -0.462
   31    HA   PHE   4           HA       PHE   4  -3.896  -2.236   1.055
   32    HB2  PHE   4           HB2      PHE   4  -5.165  -2.365  -1.526
   33    HB3  PHE   4           HB1      PHE   4  -3.433  -2.625  -1.704
   34    HD1  PHE   4           HD2      PHE   4  -6.488  -3.849  -0.042
   35    HD2  PHE   4           HD1      PHE   4  -2.409  -4.627  -0.976
   36    HE1  PHE   4           HE2      PHE   4  -6.766  -6.179   0.700
   37    HE2  PHE   4           HE1      PHE   4  -2.680  -6.958  -0.236
   38    HZ   PHE   4           HZ       PHE   4  -4.861  -7.736   0.603
   39    H    ARG   5           HN       ARG   5  -2.411  -0.697   1.846
   40    HA   ARG   5           HA       ARG   5  -0.479   0.213  -0.178
   41    HB2  ARG   5           HB2      ARG   5  -0.107   2.263   1.085
   42    HB3  ARG   5           HB1      ARG   5  -1.797   2.132   0.619
   43    HG2  ARG   5           HG2      ARG   5  -1.589   0.925   3.144
   44    HG3  ARG   5           HG1      ARG   5  -0.648   2.415   3.225
   45    HD2  ARG   5           HD2      ARG   5  -3.543   2.098   2.458
   46    HD3  ARG   5           HD1      ARG   5  -2.886   2.939   3.861
   47    HE   ARG   5           HE       ARG   5  -1.947   4.035   1.395
   48   HH11  ARG   5          HH11      ARG   5  -4.628   4.023   3.629
   49   HH12  ARG   5          HH12      ARG   5  -5.180   5.597   3.168
   50   HH21  ARG   5          HH21      ARG   5  -2.672   6.107   0.789
   51   HH22  ARG   5          HH22      ARG   5  -4.070   6.782   1.555
   52    H    VAL   6           HN       VAL   6   1.642  -0.102   0.293
   53    HA   VAL   6           HA       VAL   6   2.440  -0.846   2.992
   54    HB   VAL   6           HB       VAL   6   1.798  -2.987   1.975
   55   HG11  VAL   6          HG11      VAL   6   4.050  -2.843   0.039
   56   HG12  VAL   6          HG12      VAL   6   2.534  -2.044  -0.378
   57   HG13  VAL   6          HG13      VAL   6   2.553  -3.773  -0.032
   58   HG21  VAL   6          HG21      VAL   6   3.614  -4.161   2.760
   59   HG22  VAL   6          HG22      VAL   6   3.891  -2.583   3.495
   60   HG23  VAL   6          HG23      VAL   6   4.780  -3.048   2.045
   61    H    CYS   7           HN       CYS   7   4.444  -0.157   3.473
   62    HA   CYS   7           HA       CYS   7   5.971   1.132   1.339
   63    HB2  CYS   7           HB2      CYS   7   5.574   1.614   4.191
   64    HB3  CYS   7           HB1      CYS   7   7.269   1.688   3.723
   65    H    TYR   8           HN       TYR   8   7.371  -0.182   0.359
   66    HA   TYR   8           HA       TYR   8   8.646  -2.350   1.793
   67    HB2  TYR   8           HB2      TYR   8   7.815  -2.545  -0.580
   68    HB3  TYR   8           HB1      TYR   8   9.128  -1.474  -1.059
   69    HD1  TYR   8           HD1      TYR   8   9.061  -4.324   1.349
   70    HD2  TYR   8           HD2      TYR   8  10.630  -2.752  -2.279
   71    HE1  TYR   8           HE1      TYR   8  10.565  -6.261   1.167
   72    HE2  TYR   8           HE2      TYR   8  12.138  -4.686  -2.472
   73    HH   TYR   8           HH       TYR   8  12.326  -6.961  -1.683
   74    H    ARG   9           HN       ARG   9  10.895  -2.609   2.039
   75    HA   ARG   9           HA       ARG   9  12.300  -0.368   2.906
   76    HB2  ARG   9           HB2      ARG   9  14.315  -1.879   2.816
   77    HB3  ARG   9           HB1      ARG   9  12.946  -2.511   3.720
   78    HG2  ARG   9           HG2      ARG   9  12.602  -4.210   2.279
   79    HG3  ARG   9           HG1      ARG   9  13.065  -3.254   0.871
   80    HD2  ARG   9           HD2      ARG   9  15.407  -3.492   1.440
   81    HD3  ARG   9           HD1      ARG   9  14.986  -4.353   2.919
   82    HE   ARG   9           HE       ARG   9  13.841  -5.860   0.991
   83   HH11  ARG   9          HH11      ARG   9  17.069  -4.604   1.425
   84   HH12  ARG   9          HH12      ARG   9  17.827  -5.920   0.593
   85   HH21  ARG   9          HH21      ARG   9  14.837  -7.591  -0.102
   86   HH22  ARG   9          HH22      ARG   9  16.559  -7.616  -0.275
   87    H    GLY  10           HN       GLY  10  12.076  -1.814  -0.260
   88    HA2  GLY  10           HA2      GLY  10  14.310  -0.290  -1.312
   89    HA3  GLY  10           HA1      GLY  10  13.262  -1.370  -2.218
   90    H    ILE  11           HN       ILE  11  10.796  -0.131  -1.352
   91    HA   ILE  11           HA       ILE  11  10.891   2.637  -2.124
   92    HB   ILE  11           HB       ILE  11  11.051   1.578  -4.329
   93   HG12  ILE  11          HG12      ILE  11   8.251   2.652  -4.053
   94   HG13  ILE  11          HG11      ILE  11   9.658   3.689  -3.839
   95   HG21  ILE  11          HG21      ILE  11   8.901  -0.084  -3.242
   96   HG22  ILE  11          HG22      ILE  11  10.090  -0.438  -4.495
   97   HG23  ILE  11          HG23      ILE  11   8.630   0.467  -4.895
   98   HD11  ILE  11          HD11      ILE  11   8.376   2.906  -6.238
   99   HD12  ILE  11          HD12      ILE  11  10.013   2.249  -6.245
  100   HD13  ILE  11          HD13      ILE  11   9.758   3.980  -6.023
  101    H    CYS  12           HN       CYS  12   8.780   3.666  -2.035
  102    HA   CYS  12           HA       CYS  12   6.917   2.170  -0.313
  103    HB2  CYS  12           HB2      CYS  12   7.824   5.006  -0.349
  104    HB3  CYS  12           HB1      CYS  12   6.161   4.689   0.136
  105    H    TYR  13           HN       TYR  13   4.863   1.884  -0.942
  106    HA   TYR  13           HA       TYR  13   3.798   3.512  -3.133
  107    HB2  TYR  13           HB2      TYR  13   4.273   0.578  -3.162
  108    HB3  TYR  13           HB1      TYR  13   2.764   1.150  -3.867
  109    HD1  TYR  13           HD2      TYR  13   3.549   3.656  -5.139
  110    HD2  TYR  13           HD1      TYR  13   5.635  -0.046  -4.933
  111    HE1  TYR  13           HE2      TYR  13   4.732   4.215  -7.220
  112    HE2  TYR  13           HE1      TYR  13   6.825   0.503  -7.015
  113    HH   TYR  13           HH       TYR  13   7.079   3.466  -8.261
  114    H    ARG  14           HN       ARG  14   1.453   3.366  -3.342
  115    HA   ARG  14           HA       ARG  14   0.024   2.226  -1.075
  116    HB2  ARG  14           HB2      ARG  14  -0.236   5.153  -1.775
  117    HB3  ARG  14           HB1      ARG  14  -1.075   4.302  -0.487
  118    HG2  ARG  14           HG2      ARG  14   1.358   3.791   0.339
  119    HG3  ARG  14           HG1      ARG  14   1.754   5.208  -0.636
  120    HD2  ARG  14           HD2      ARG  14  -0.575   5.470   1.157
  121    HD3  ARG  14           HD1      ARG  14   0.995   5.329   1.946
  122    HE   ARG  14           HE       ARG  14   1.066   7.248  -0.146
  123   HH11  ARG  14          HH11      ARG  14  -0.024   6.771   3.135
  124   HH12  ARG  14          HH12      ARG  14   0.061   8.453   3.540
  125   HH21  ARG  14          HH21      ARG  14   1.177   9.461   0.385
  126   HH22  ARG  14          HH22      ARG  14   0.742   9.980   1.979
  127    H    ARG  15           HN       ARG  15  -2.132   1.793  -1.484
  128    HA   ARG  15           HA       ARG  15  -3.275   2.651  -4.027
  129    HB2  ARG  15           HB2      ARG  15  -2.049   0.442  -4.334
  130    HB3  ARG  15           HB1      ARG  15  -3.255  -0.270  -3.270
  131    HG2  ARG  15           HG2      ARG  15  -3.999  -0.720  -5.442
  132    HG3  ARG  15           HG1      ARG  15  -4.995   0.626  -4.885
  133    HD2  ARG  15           HD2      ARG  15  -3.296   2.140  -6.030
  134    HD3  ARG  15           HD1      ARG  15  -2.684   0.680  -6.806
  135    HE   ARG  15           HE       ARG  15  -5.372   0.649  -7.294
  136   HH11  ARG  15          HH11      ARG  15  -2.783   2.911  -7.893
  137   HH12  ARG  15          HH12      ARG  15  -3.516   3.563  -9.320
  138   HH21  ARG  15          HH21      ARG  15  -6.337   1.504  -9.171
  139   HH22  ARG  15          HH22      ARG  15  -5.533   2.765 -10.046
  140    H    CYS  16           HN       CYS  16  -5.303   3.279  -3.722
  141    HA   CYS  16           HA       CYS  16  -6.978   1.897  -1.769
  142    HB2  CYS  16           HB2      CYS  16  -6.349   4.847  -1.716
  143    HB3  CYS  16           HB1      CYS  16  -7.782   4.174  -0.946
  144    H    ARG  17           HN       ARG  17  -9.269   3.084  -1.846
  145    HA   ARG  17           HA       ARG  17  -9.911   3.725  -4.639
  146    HB2  ARG  17           HB2      ARG  17 -10.963   1.489  -2.983
  147    HB3  ARG  17           HB1      ARG  17 -12.107   2.332  -4.018
  148    HG2  ARG  17           HG2      ARG  17  -9.566   0.982  -4.906
  149    HG3  ARG  17           HG1      ARG  17 -11.211   0.385  -5.141
  150    HD2  ARG  17           HD2      ARG  17 -11.032   1.396  -7.142
  151    HD3  ARG  17           HD1      ARG  17 -11.411   2.855  -6.226
  152    HE   ARG  17           HE       ARG  17  -8.617   2.354  -6.245
  153   HH11  ARG  17          HH11      ARG  17 -11.222   3.562  -8.227
  154   HH12  ARG  17          HH12      ARG  17 -10.194   4.576  -9.182
  155   HH21  ARG  17          HH21      ARG  17  -7.261   3.688  -7.499
  156   HH22  ARG  17          HH22      ARG  17  -7.944   4.648  -8.768
  157    HN1  NH2  18           HN1      NH2  18 -12.290   4.480  -4.760
  158    HN2  NH2  18           HN2      NH2  18 -12.790   5.575  -3.521
  Start of MODEL   12
    1    H1   LYS   1           HT1      LYS   1 -14.678  -0.366   3.298
    2    H2   LYS   1           HT2      LYS   1 -14.641  -2.022   3.746
    3    H3   LYS   1           HT3      LYS   1 -15.499  -1.530   2.345
    4    HA   LYS   1           HA       LYS   1 -13.351  -2.593   1.914
    5    HB2  LYS   1           HB2      LYS   1 -14.486  -1.121   0.313
    6    HB3  LYS   1           HB1      LYS   1 -13.743   0.285   1.065
    7    HG2  LYS   1           HG2      LYS   1 -12.376  -0.024  -0.742
    8    HG3  LYS   1           HG1      LYS   1 -11.513  -0.949   0.488
    9    HD2  LYS   1           HD2      LYS   1 -11.541  -2.579  -1.065
   10    HD3  LYS   1           HD1      LYS   1 -13.189  -2.840  -0.491
   11    HE2  LYS   1           HE2      LYS   1 -13.601  -0.881  -2.304
   12    HE3  LYS   1           HE1      LYS   1 -12.218  -1.698  -3.028
   13    HZ1  LYS   1           HZ1      LYS   1 -14.944  -2.650  -2.637
   14    HZ2  LYS   1           HZ2      LYS   1 -13.711  -3.791  -2.438
   15    HZ3  LYS   1           HZ3      LYS   1 -13.861  -2.956  -3.901
   16    H    TRP   2           HN       TRP   2 -11.197  -2.687   2.285
   17    HA   TRP   2           HA       TRP   2 -10.095  -0.728   4.178
   18    HB2  TRP   2           HB2      TRP   2  -9.694  -3.637   3.753
   19    HB3  TRP   2           HB1      TRP   2  -8.276  -2.709   4.234
   20    HD1  TRP   2           HD1      TRP   2  -8.669  -1.185   6.581
   21    HE1  TRP   2           HE1      TRP   2  -9.904  -1.895   8.724
   22    HE3  TRP   2           HE3      TRP   2 -11.474  -5.012   4.675
   23    HZ2  TRP   2           HZ2      TRP   2 -11.814  -3.822   9.504
   24    HZ3  TRP   2           HZ3      TRP   2 -12.980  -6.237   6.187
   25    HH2  TRP   2           HH2      TRP   2 -13.145  -5.654   8.552
   26    H    CYS   3           HN       CYS   3  -8.127   0.262   3.808
   27    HA   CYS   3           HA       CYS   3  -7.347   0.427   1.016
   28    HB2  CYS   3           HB2      CYS   3  -6.849   2.052   3.469
   29    HB3  CYS   3           HB1      CYS   3  -5.689   2.166   2.148
   30    H    PHE   4           HN       PHE   4  -5.501  -0.339   0.151
   31    HA   PHE   4           HA       PHE   4  -3.818  -2.003   1.866
   32    HB2  PHE   4           HB2      PHE   4  -4.899  -2.663  -0.458
   33    HB3  PHE   4           HB1      PHE   4  -3.461  -1.875  -1.098
   34    HD1  PHE   4           HD1      PHE   4  -3.932  -4.012   1.916
   35    HD2  PHE   4           HD2      PHE   4  -2.075  -3.539  -1.884
   36    HE1  PHE   4           HE1      PHE   4  -2.640  -6.070   2.296
   37    HE2  PHE   4           HE2      PHE   4  -0.779  -5.597  -1.511
   38    HZ   PHE   4           HZ       PHE   4  -1.061  -6.866   0.581
   39    H    ARG   5           HN       ARG   5  -1.613  -1.747   2.056
   40    HA   ARG   5           HA       ARG   5  -0.322   0.459   0.653
   41    HB2  ARG   5           HB2      ARG   5  -1.211   1.470   2.706
   42    HB3  ARG   5           HB1      ARG   5  -0.388   0.252   3.669
   43    HG2  ARG   5           HG2      ARG   5   1.633   1.244   3.450
   44    HG3  ARG   5           HG1      ARG   5   1.289   1.837   1.824
   45    HD2  ARG   5           HD2      ARG   5  -0.262   3.507   2.842
   46    HD3  ARG   5           HD1      ARG   5   0.290   2.976   4.431
   47    HE   ARG   5           HE       ARG   5   1.699   4.661   2.577
   48   HH11  ARG   5          HH11      ARG   5   2.031   2.458   5.263
   49   HH12  ARG   5          HH12      ARG   5   3.554   3.107   5.769
   50   HH21  ARG   5          HH21      ARG   5   3.703   5.516   3.240
   51   HH22  ARG   5          HH22      ARG   5   4.503   4.844   4.622
   52    H    VAL   6           HN       VAL   6   1.438  -0.409  -0.205
   53    HA   VAL   6           HA       VAL   6   2.832  -2.542   1.264
   54    HB   VAL   6           HB       VAL   6   2.047  -3.161  -0.983
   55   HG11  VAL   6          HG11      VAL   6   2.723  -0.613  -1.709
   56   HG12  VAL   6          HG12      VAL   6   2.349  -1.925  -2.826
   57   HG13  VAL   6          HG13      VAL   6   4.027  -1.562  -2.423
   58   HG21  VAL   6          HG21      VAL   6   5.049  -2.954  -0.755
   59   HG22  VAL   6          HG22      VAL   6   4.175  -4.040  -1.834
   60   HG23  VAL   6          HG23      VAL   6   4.038  -4.236  -0.087
   61    H    CYS   7           HN       CYS   7   4.536  -1.860   2.374
   62    HA   CYS   7           HA       CYS   7   6.107   0.394   1.323
   63    HB2  CYS   7           HB2      CYS   7   5.004   0.166   3.780
   64    HB3  CYS   7           HB1      CYS   7   6.581  -0.551   4.088
   65    H    TYR   8           HN       TYR   8   7.992  -0.064   0.422
   66    HA   TYR   8           HA       TYR   8   9.377  -2.536   1.233
   67    HB2  TYR   8           HB2      TYR   8   8.707  -1.458  -1.390
   68    HB3  TYR   8           HB1      TYR   8  10.425  -1.815  -1.238
   69    HD1  TYR   8           HD1      TYR   8  10.958  -4.182  -0.178
   70    HD2  TYR   8           HD2      TYR   8   7.289  -3.149  -2.068
   71    HE1  TYR   8           HE1      TYR   8  10.501  -6.565  -0.578
   72    HE2  TYR   8           HE2      TYR   8   6.821  -5.529  -2.473
   73    HH   TYR   8           HH       TYR   8   7.526  -7.755  -1.392
   74    H    ARG   9           HN       ARG   9  11.658  -2.490   1.378
   75    HA   ARG   9           HA       ARG   9  12.751  -0.250   2.614
   76    HB2  ARG   9           HB2      ARG   9  14.912  -1.368   2.394
   77    HB3  ARG   9           HB1      ARG   9  13.664  -2.512   2.868
   78    HG2  ARG   9           HG2      ARG   9  13.490  -3.208   0.484
   79    HG3  ARG   9           HG1      ARG   9  14.876  -2.173   0.135
   80    HD2  ARG   9           HD2      ARG   9  14.833  -4.501   2.053
   81    HD3  ARG   9           HD1      ARG   9  15.563  -4.495   0.448
   82    HE   ARG   9           HE       ARG   9  16.593  -2.433   2.145
   83   HH11  ARG   9          HH11      ARG   9  16.860  -5.813   1.320
   84   HH12  ARG   9          HH12      ARG   9  18.504  -5.941   1.849
   85   HH21  ARG   9          HH21      ARG   9  18.755  -2.600   2.841
   86   HH22  ARG   9          HH22      ARG   9  19.580  -4.117   2.714
   87    H    GLY  10           HN       GLY  10  12.587  -1.107  -0.764
   88    HA2  GLY  10           HA2      GLY  10  14.487   0.949  -1.545
   89    HA3  GLY  10           HA1      GLY  10  13.613  -0.129  -2.622
   90    H    ILE  11           HN       ILE  11  11.003   0.465  -1.519
   91    HA   ILE  11           HA       ILE  11  10.570   3.295  -1.783
   92    HB   ILE  11           HB       ILE  11  10.825   2.665  -4.146
   93   HG12  ILE  11          HG12      ILE  11   7.896   3.138  -3.884
   94   HG13  ILE  11          HG11      ILE  11   8.977   4.298  -3.117
   95   HG21  ILE  11          HG21      ILE  11  10.058   0.315  -3.863
   96   HG22  ILE  11          HG22      ILE  11   9.331   1.147  -5.239
   97   HG23  ILE  11          HG23      ILE  11   8.404   0.916  -3.755
   98   HD11  ILE  11          HD11      ILE  11   8.545   5.176  -5.232
   99   HD12  ILE  11          HD12      ILE  11   8.731   3.610  -6.020
  100   HD13  ILE  11          HD13      ILE  11  10.143   4.445  -5.374
  101    H    CYS  12           HN       CYS  12   8.453   3.927  -1.234
  102    HA   CYS  12           HA       CYS  12   6.760   1.762  -0.170
  103    HB2  CYS  12           HB2      CYS  12   7.964   3.234   1.540
  104    HB3  CYS  12           HB1      CYS  12   6.905   4.535   1.005
  105    H    TYR  13           HN       TYR  13   4.769   1.671  -0.975
  106    HA   TYR  13           HA       TYR  13   3.564   4.118  -2.066
  107    HB2  TYR  13           HB2      TYR  13   4.063   1.531  -3.455
  108    HB3  TYR  13           HB1      TYR  13   2.545   2.357  -3.795
  109    HD1  TYR  13           HD2      TYR  13   3.223   5.150  -3.859
  110    HD2  TYR  13           HD1      TYR  13   5.490   1.828  -5.246
  111    HE1  TYR  13           HE2      TYR  13   4.377   6.614  -5.462
  112    HE2  TYR  13           HE1      TYR  13   6.651   3.284  -6.852
  113    HH   TYR  13           HH       TYR  13   6.353   5.387  -7.981
  114    H    ARG  14           HN       ARG  14   1.152   3.605  -2.635
  115    HA   ARG  14           HA       ARG  14  -0.128   1.646  -0.966
  116    HB2  ARG  14           HB2      ARG  14  -1.496   3.515   0.201
  117    HB3  ARG  14           HB1      ARG  14   0.097   3.111   0.826
  118    HG2  ARG  14           HG2      ARG  14   0.083   5.427   0.828
  119    HG3  ARG  14           HG1      ARG  14   0.942   5.028  -0.660
  120    HD2  ARG  14           HD2      ARG  14  -0.653   6.799  -1.078
  121    HD3  ARG  14           HD1      ARG  14  -1.150   5.332  -1.921
  122    HE   ARG  14           HE       ARG  14  -3.060   5.335  -0.681
  123   HH11  ARG  14          HH11      ARG  14  -0.678   7.277   0.974
  124   HH12  ARG  14          HH12      ARG  14  -1.778   7.803   2.204
  125   HH21  ARG  14          HH21      ARG  14  -4.508   6.027   0.936
  126   HH22  ARG  14          HH22      ARG  14  -3.952   7.092   2.183
  127    H    ARG  15           HN       ARG  15  -2.518   1.751  -1.161
  128    HA   ARG  15           HA       ARG  15  -3.506   3.299  -3.426
  129    HB2  ARG  15           HB2      ARG  15  -4.419   1.346  -4.558
  130    HB3  ARG  15           HB1      ARG  15  -2.673   1.203  -4.409
  131    HG2  ARG  15           HG2      ARG  15  -3.473  -0.073  -2.163
  132    HG3  ARG  15           HG1      ARG  15  -4.812  -0.441  -3.252
  133    HD2  ARG  15           HD2      ARG  15  -2.063  -0.740  -4.320
  134    HD3  ARG  15           HD1      ARG  15  -2.601  -1.927  -3.132
  135    HE   ARG  15           HE       ARG  15  -3.475  -1.682  -5.850
  136   HH11  ARG  15          HH11      ARG  15  -4.393  -2.766  -2.663
  137   HH12  ARG  15          HH12      ARG  15  -5.546  -3.917  -3.250
  138   HH21  ARG  15          HH21      ARG  15  -4.992  -3.194  -6.624
  139   HH22  ARG  15          HH22      ARG  15  -5.886  -4.160  -5.499
  140    H    CYS  16           HN       CYS  16  -5.778   3.491  -3.501
  141    HA   CYS  16           HA       CYS  16  -7.313   2.297  -1.327
  142    HB2  CYS  16           HB2      CYS  16  -6.789   5.231  -1.660
  143    HB3  CYS  16           HB1      CYS  16  -8.319   4.688  -0.979
  144    H    ARG  17           HN       ARG  17  -7.260   1.971  -4.214
  145    HA   ARG  17           HA       ARG  17 -10.089   2.314  -4.697
  146    HB2  ARG  17           HB2      ARG  17  -9.780   3.470  -6.855
  147    HB3  ARG  17           HB1      ARG  17  -9.261   4.452  -5.491
  148    HG2  ARG  17           HG2      ARG  17  -7.003   3.007  -6.351
  149    HG3  ARG  17           HG1      ARG  17  -7.787   3.645  -7.797
  150    HD2  ARG  17           HD2      ARG  17  -7.905   5.797  -6.157
  151    HD3  ARG  17           HD1      ARG  17  -6.406   5.049  -5.611
  152    HE   ARG  17           HE       ARG  17  -5.424   5.640  -7.595
  153   HH11  ARG  17          HH11      ARG  17  -8.883   5.992  -7.890
  154   HH12  ARG  17          HH12      ARG  17  -8.797   6.784  -9.427
  155   HH21  ARG  17          HH21      ARG  17  -5.308   6.683  -9.617
  156   HH22  ARG  17          HH22      ARG  17  -6.768   7.177 -10.409
  157    HN1  NH2  18           HN1      NH2  18 -10.077   0.046  -4.732
  158    HN2  NH2  18           HN2      NH2  18  -9.428  -0.848  -6.059
  Start of MODEL   13
    1    H1   LYS   1           HT1      LYS   1 -13.843   3.453  -1.597
    2    H2   LYS   1           HT2      LYS   1 -14.110   2.499  -2.998
    3    H3   LYS   1           HT3      LYS   1 -12.702   3.471  -2.875
    4    HA   LYS   1           HA       LYS   1 -13.390   1.141  -1.214
    5    HB2  LYS   1           HB2      LYS   1 -11.431   0.147  -2.362
    6    HB3  LYS   1           HB1      LYS   1 -12.738   0.539  -3.472
    7    HG2  LYS   1           HG2      LYS   1 -10.691   2.626  -3.098
    8    HG3  LYS   1           HG1      LYS   1 -10.169   1.155  -3.920
    9    HD2  LYS   1           HD2      LYS   1 -11.796   1.417  -5.620
   10    HD3  LYS   1           HD1      LYS   1 -12.648   2.667  -4.710
   11    HE2  LYS   1           HE2      LYS   1 -10.553   4.061  -4.905
   12    HE3  LYS   1           HE1      LYS   1  -9.956   2.858  -6.046
   13    HZ1  LYS   1           HZ1      LYS   1 -12.614   3.917  -6.566
   14    HZ2  LYS   1           HZ2      LYS   1 -11.366   3.546  -7.646
   15    HZ3  LYS   1           HZ3      LYS   1 -11.331   4.999  -6.781
   16    H    TRP   2           HN       TRP   2 -11.667   0.500   0.227
   17    HA   TRP   2           HA       TRP   2 -10.248   2.827   1.304
   18    HB2  TRP   2           HB2      TRP   2 -11.234   0.256   2.466
   19    HB3  TRP   2           HB1      TRP   2  -9.863   1.056   3.229
   20    HD1  TRP   2           HD1      TRP   2 -12.636   3.195   1.730
   21    HE1  TRP   2           HE1      TRP   2 -13.907   4.366   3.638
   22    HE3  TRP   2           HE3      TRP   2 -10.521   0.787   5.714
   23    HZ2  TRP   2           HZ2      TRP   2 -14.000   4.280   6.458
   24    HZ3  TRP   2           HZ3      TRP   2 -11.258   1.390   7.982
   25    HH2  TRP   2           HH2      TRP   2 -12.961   3.101   8.346
   26    H    CYS   3           HN       CYS   3  -8.043   2.671   1.942
   27    HA   CYS   3           HA       CYS   3  -6.540   0.559   0.540
   28    HB2  CYS   3           HB2      CYS   3  -5.534   3.371   0.965
   29    HB3  CYS   3           HB1      CYS   3  -4.863   2.127  -0.085
   30    H    PHE   4           HN       PHE   4  -4.514  -0.053   1.478
   31    HA   PHE   4           HA       PHE   4  -4.467   0.355   4.389
   32    HB2  PHE   4           HB2      PHE   4  -4.436  -1.988   2.906
   33    HB3  PHE   4           HB1      PHE   4  -2.750  -1.773   3.368
   34    HD1  PHE   4           HD2      PHE   4  -5.985  -1.119   5.114
   35    HD2  PHE   4           HD1      PHE   4  -2.237  -3.134   5.138
   36    HE1  PHE   4           HE2      PHE   4  -6.489  -2.023   7.346
   37    HE2  PHE   4           HE1      PHE   4  -2.734  -4.042   7.370
   38    HZ   PHE   4           HZ       PHE   4  -4.863  -3.486   8.477
   39    H    ARG   5           HN       ARG   5  -1.932  -0.425   4.999
   40    HA   ARG   5           HA       ARG   5  -0.248   1.559   3.613
   41    HB2  ARG   5           HB2      ARG   5  -0.303   0.855   6.551
   42    HB3  ARG   5           HB1      ARG   5   0.910   1.884   5.801
   43    HG2  ARG   5           HG2      ARG   5  -1.045   3.334   5.035
   44    HG3  ARG   5           HG1      ARG   5  -2.013   2.420   6.193
   45    HD2  ARG   5           HD2      ARG   5   0.084   3.054   7.748
   46    HD3  ARG   5           HD1      ARG   5   0.100   4.433   6.649
   47    HE   ARG   5           HE       ARG   5  -1.779   5.215   7.679
   48   HH11  ARG   5          HH11      ARG   5  -1.441   1.824   8.427
   49   HH12  ARG   5          HH12      ARG   5  -2.756   1.814   9.554
   50   HH21  ARG   5          HH21      ARG   5  -3.508   5.204   9.161
   51   HH22  ARG   5          HH22      ARG   5  -3.930   3.733   9.971
   52    H    VAL   6           HN       VAL   6   1.409   0.676   2.587
   53    HA   VAL   6           HA       VAL   6   2.811  -1.590   3.795
   54    HB   VAL   6           HB       VAL   6   2.008  -1.591   0.884
   55   HG11  VAL   6          HG11      VAL   6   3.603  -3.410   2.631
   56   HG12  VAL   6          HG12      VAL   6   3.920  -2.868   0.983
   57   HG13  VAL   6          HG13      VAL   6   2.681  -4.084   1.287
   58   HG21  VAL   6          HG21      VAL   6   0.818  -3.077   3.222
   59   HG22  VAL   6          HG22      VAL   6   0.510  -3.474   1.531
   60   HG23  VAL   6          HG23      VAL   6   0.013  -1.909   2.174
   61    H    CYS   7           HN       CYS   7   4.950  -1.946   2.886
   62    HA   CYS   7           HA       CYS   7   6.057   0.494   1.657
   63    HB2  CYS   7           HB2      CYS   7   6.997  -1.179   3.929
   64    HB3  CYS   7           HB1      CYS   7   8.227  -0.528   2.850
   65    H    TYR   8           HN       TYR   8   6.992   0.248  -0.258
   66    HA   TYR   8           HA       TYR   8   7.541  -2.469  -1.210
   67    HB2  TYR   8           HB2      TYR   8   6.050  -1.045  -2.578
   68    HB3  TYR   8           HB1      TYR   8   7.357   0.121  -2.767
   69    HD1  TYR   8           HD2      TYR   8   7.186  -3.605  -3.057
   70    HD2  TYR   8           HD1      TYR   8   8.141   0.091  -4.934
   71    HE1  TYR   8           HE2      TYR   8   7.976  -4.824  -5.042
   72    HE2  TYR   8           HE1      TYR   8   8.932  -1.117  -6.925
   73    HH   TYR   8           HH       TYR   8   8.202  -3.909  -7.795
   74    H    ARG   9           HN       ARG   9   9.511  -3.014  -2.193
   75    HA   ARG   9           HA       ARG   9  11.829  -2.225  -0.967
   76    HB2  ARG   9           HB2      ARG   9  11.558  -3.242  -3.801
   77    HB3  ARG   9           HB1      ARG   9  13.036  -3.254  -2.848
   78    HG2  ARG   9           HG2      ARG   9  12.038  -4.796  -1.267
   79    HG3  ARG   9           HG1      ARG   9  10.511  -4.742  -2.152
   80    HD2  ARG   9           HD2      ARG   9  11.916  -5.516  -4.172
   81    HD3  ARG   9           HD1      ARG   9  13.127  -5.959  -2.969
   82    HE   ARG   9           HE       ARG   9  11.821  -7.737  -2.356
   83   HH11  ARG   9          HH11      ARG   9   9.909  -5.540  -4.278
   84   HH12  ARG   9          HH12      ARG   9   8.562  -6.621  -4.400
   85   HH21  ARG   9          HH21      ARG   9  10.050  -9.160  -2.515
   86   HH22  ARG   9          HH22      ARG   9   8.641  -8.676  -3.398
   87    H    GLY  10           HN       GLY  10  10.186  -0.672  -3.617
   88    HA2  GLY  10           HA2      GLY  10  12.457   1.053  -4.206
   89    HA3  GLY  10           HA1      GLY  10  10.900   1.062  -5.023
   90    H    ILE  11           HN       ILE  11   9.194   1.366  -2.845
   91    HA   ILE  11           HA       ILE  11  10.025   3.614  -1.253
   92    HB   ILE  11           HB       ILE  11   8.142   5.080  -2.137
   93   HG12  ILE  11          HG12      ILE  11   7.740   4.676  -4.639
   94   HG13  ILE  11          HG11      ILE  11   8.342   3.045  -4.353
   95   HG21  ILE  11          HG21      ILE  11  10.740   5.139  -2.617
   96   HG22  ILE  11          HG22      ILE  11   9.626   6.247  -3.416
   97   HG23  ILE  11          HG23      ILE  11  10.198   4.811  -4.262
   98   HD11  ILE  11          HD11      ILE  11   5.743   3.828  -4.163
   99   HD12  ILE  11          HD12      ILE  11   6.266   3.879  -2.479
  100   HD13  ILE  11          HD13      ILE  11   6.431   2.389  -3.411
  101    H    CYS  12           HN       CYS  12   8.055   4.526  -0.031
  102    HA   CYS  12           HA       CYS  12   6.331   2.258   0.709
  103    HB2  CYS  12           HB2      CYS  12   7.346   4.596   2.328
  104    HB3  CYS  12           HB1      CYS  12   6.076   3.517   2.895
  105    H    TYR  13           HN       TYR  13   4.219   2.418   0.334
  106    HA   TYR  13           HA       TYR  13   2.905   5.009   0.371
  107    HB2  TYR  13           HB2      TYR  13   1.926   4.785  -1.833
  108    HB3  TYR  13           HB1      TYR  13   3.679   4.713  -1.973
  109    HD1  TYR  13           HD2      TYR  13   4.571   2.138  -1.685
  110    HD2  TYR  13           HD1      TYR  13   0.778   3.336  -3.195
  111    HE1  TYR  13           HE2      TYR  13   4.388   0.007  -2.899
  112    HE2  TYR  13           HE1      TYR  13   0.584   1.208  -4.412
  113    HH   TYR  13           HH       TYR  13   3.189  -0.891  -4.875
  114    H    ARG  14           HN       ARG  14   0.453   4.400  -0.547
  115    HA   ARG  14           HA       ARG  14  -0.502   2.538   1.467
  116    HB2  ARG  14           HB2      ARG  14  -1.983   4.373  -0.425
  117    HB3  ARG  14           HB1      ARG  14  -2.750   3.373   0.801
  118    HG2  ARG  14           HG2      ARG  14  -2.616   5.247   2.028
  119    HG3  ARG  14           HG1      ARG  14  -0.966   4.692   2.323
  120    HD2  ARG  14           HD2      ARG  14  -1.347   6.267  -0.132
  121    HD3  ARG  14           HD1      ARG  14  -1.612   7.146   1.372
  122    HE   ARG  14           HE       ARG  14   0.786   5.707   1.578
  123   HH11  ARG  14          HH11      ARG  14  -0.551   8.426  -0.154
  124   HH12  ARG  14          HH12      ARG  14   0.975   9.224  -0.331
  125   HH21  ARG  14          HH21      ARG  14   2.795   6.755   1.346
  126   HH22  ARG  14          HH22      ARG  14   2.875   8.275   0.520
  127    H    ARG  15           HN       ARG  15  -1.712   0.699   1.065
  128    HA   ARG  15           HA       ARG  15  -1.387  -0.412  -1.627
  129    HB2  ARG  15           HB2      ARG  15  -0.475  -1.719   0.244
  130    HB3  ARG  15           HB1      ARG  15  -2.072  -1.786   0.978
  131    HG2  ARG  15           HG2      ARG  15  -2.905  -3.060  -0.922
  132    HG3  ARG  15           HG1      ARG  15  -1.315  -2.977  -1.682
  133    HD2  ARG  15           HD2      ARG  15  -0.440  -4.558  -0.330
  134    HD3  ARG  15           HD1      ARG  15  -1.356  -4.011   1.074
  135    HE   ARG  15           HE       ARG  15  -3.054  -5.249  -0.833
  136   HH11  ARG  15          HH11      ARG  15  -0.691  -5.960   1.634
  137   HH12  ARG  15          HH12      ARG  15  -1.336  -7.531   1.975
  138   HH21  ARG  15          HH21      ARG  15  -3.902  -7.315  -0.388
  139   HH22  ARG  15          HH22      ARG  15  -3.157  -8.301   0.827
  140    H    CYS  16           HN       CYS  16  -3.066  -0.226  -2.944
  141    HA   CYS  16           HA       CYS  16  -5.755  -0.718  -1.872
  142    HB2  CYS  16           HB2      CYS  16  -4.871   1.803  -2.619
  143    HB3  CYS  16           HB1      CYS  16  -5.744   1.238  -4.040
  144    H    ARG  17           HN       ARG  17  -5.711  -2.791  -2.766
  145    HA   ARG  17           HA       ARG  17  -5.542  -2.937  -5.697
  146    HB2  ARG  17           HB2      ARG  17  -5.306  -5.403  -5.325
  147    HB3  ARG  17           HB1      ARG  17  -3.996  -4.440  -4.653
  148    HG2  ARG  17           HG2      ARG  17  -4.535  -4.943  -2.510
  149    HG3  ARG  17           HG1      ARG  17  -6.261  -5.071  -2.856
  150    HD2  ARG  17           HD2      ARG  17  -5.889  -7.280  -2.633
  151    HD3  ARG  17           HD1      ARG  17  -5.311  -7.153  -4.293
  152    HE   ARG  17           HE       ARG  17  -3.107  -6.628  -2.790
  153   HH11  ARG  17          HH11      ARG  17  -5.408  -9.248  -2.888
  154   HH12  ARG  17          HH12      ARG  17  -4.263 -10.439  -2.370
  155   HH21  ARG  17          HH21      ARG  17  -1.599  -8.192  -2.108
  156   HH22  ARG  17          HH22      ARG  17  -2.100  -9.839  -1.927
  157    HN1  NH2  18           HN1      NH2  18  -7.597  -3.586  -2.949
  158    HN2  NH2  18           HN2      NH2  18  -9.007  -4.015  -3.850
  Start of MODEL   14
    1    H1   LYS   1           HT1      LYS   1 -14.260  -2.106  -1.495
    2    H2   LYS   1           HT2      LYS   1 -13.348  -3.258  -0.609
    3    H3   LYS   1           HT3      LYS   1 -12.556  -2.171  -1.675
    4    HA   LYS   1           HA       LYS   1 -12.962  -0.362  -0.334
    5    HB2  LYS   1           HB2      LYS   1 -15.298  -0.922   0.155
    6    HB3  LYS   1           HB1      LYS   1 -14.778  -2.212   1.230
    7    HG2  LYS   1           HG2      LYS   1 -13.804  -0.614   2.748
    8    HG3  LYS   1           HG1      LYS   1 -14.175   0.709   1.642
    9    HD2  LYS   1           HD2      LYS   1 -16.351   0.773   2.244
   10    HD3  LYS   1           HD1      LYS   1 -16.463  -0.981   2.406
   11    HE2  LYS   1           HE2      LYS   1 -16.768   0.091   4.564
   12    HE3  LYS   1           HE1      LYS   1 -15.274  -0.846   4.548
   13    HZ1  LYS   1           HZ1      LYS   1 -14.349   1.515   3.794
   14    HZ2  LYS   1           HZ2      LYS   1 -14.461   1.053   5.417
   15    HZ3  LYS   1           HZ3      LYS   1 -15.659   2.032   4.734
   16    H    TRP   2           HN       TRP   2 -10.704  -1.019  -0.216
   17    HA   TRP   2           HA       TRP   2  -9.941  -1.627   2.492
   18    HB2  TRP   2           HB2      TRP   2  -9.676  -3.631   0.321
   19    HB3  TRP   2           HB1      TRP   2  -8.277  -3.426   1.371
   20    HD1  TRP   2           HD1      TRP   2 -11.180  -5.525   1.118
   21    HE1  TRP   2           HE1      TRP   2 -11.850  -6.532   3.389
   22    HE3  TRP   2           HE3      TRP   2  -8.471  -2.469   4.194
   23    HZ2  TRP   2           HZ2      TRP   2 -11.304  -6.090   6.123
   24    HZ3  TRP   2           HZ3      TRP   2  -8.601  -2.827   6.624
   25    HH2  TRP   2           HH2      TRP   2  -9.988  -4.601   7.567
   26    H    CYS   3           HN       CYS   3  -8.125  -0.565   3.013
   27    HA   CYS   3           HA       CYS   3  -6.703   0.819   0.867
   28    HB2  CYS   3           HB2      CYS   3  -7.628   1.717   3.279
   29    HB3  CYS   3           HB1      CYS   3  -5.937   1.402   3.648
   30    H    PHE   4           HN       PHE   4  -5.059  -0.310   0.045
   31    HA   PHE   4           HA       PHE   4  -3.470  -2.045   1.769
   32    HB2  PHE   4           HB2      PHE   4  -3.949  -1.815  -1.144
   33    HB3  PHE   4           HB1      PHE   4  -2.337  -2.335  -0.667
   34    HD1  PHE   4           HD2      PHE   4  -5.851  -3.052   0.382
   35    HD2  PHE   4           HD1      PHE   4  -2.024  -4.598  -0.654
   36    HE1  PHE   4           HE2      PHE   4  -6.692  -5.341   0.708
   37    HE2  PHE   4           HE1      PHE   4  -2.857  -6.890  -0.331
   38    HZ   PHE   4           HZ       PHE   4  -5.194  -7.263   0.352
   39    H    ARG   5           HN       ARG   5  -2.070  -0.846   2.941
   40    HA   ARG   5           HA       ARG   5  -0.364   1.070   1.497
   41    HB2  ARG   5           HB2      ARG   5   0.058   2.133   3.650
   42    HB3  ARG   5           HB1      ARG   5  -1.670   2.047   3.338
   43    HG2  ARG   5           HG2      ARG   5  -1.732  -0.008   4.773
   44    HG3  ARG   5           HG1      ARG   5  -0.057   0.337   5.211
   45    HD2  ARG   5           HD2      ARG   5  -1.091   2.727   5.728
   46    HD3  ARG   5           HD1      ARG   5  -2.553   1.767   5.946
   47    HE   ARG   5           HE       ARG   5  -0.351   1.929   7.726
   48   HH11  ARG   5          HH11      ARG   5  -2.729  -0.301   6.482
   49   HH12  ARG   5          HH12      ARG   5  -2.706  -1.307   7.891
   50   HH21  ARG   5          HH21      ARG   5  -0.321   0.609   9.581
   51   HH22  ARG   5          HH22      ARG   5  -1.340  -0.790   9.651
   52    H    VAL   6           HN       VAL   6   1.619   0.391   1.059
   53    HA   VAL   6           HA       VAL   6   3.095  -1.154   3.040
   54    HB   VAL   6           HB       VAL   6   2.048  -2.868   1.629
   55   HG11  VAL   6          HG11      VAL   6   2.389  -3.041  -0.696
   56   HG12  VAL   6          HG12      VAL   6   3.631  -1.787  -0.687
   57   HG13  VAL   6          HG13      VAL   6   1.944  -1.359  -0.407
   58   HG21  VAL   6          HG21      VAL   6   4.941  -2.813   0.862
   59   HG22  VAL   6          HG22      VAL   6   3.944  -4.179   1.362
   60   HG23  VAL   6          HG23      VAL   6   4.462  -2.982   2.550
   61    H    CYS   7           HN       CYS   7   5.159  -0.520   3.157
   62    HA   CYS   7           HA       CYS   7   6.482   0.626   0.831
   63    HB2  CYS   7           HB2      CYS   7   5.896   2.141   3.363
   64    HB3  CYS   7           HB1      CYS   7   7.284   2.550   2.362
   65    H    TYR   8           HN       TYR   8   8.413  -0.282   0.688
   66    HA   TYR   8           HA       TYR   8   9.847  -0.951   3.171
   67    HB2  TYR   8           HB2      TYR   8   9.385  -2.639   0.730
   68    HB3  TYR   8           HB1      TYR   8  10.815  -2.891   1.725
   69    HD1  TYR   8           HD1      TYR   8   7.133  -2.429   2.226
   70    HD2  TYR   8           HD2      TYR   8  10.661  -4.543   3.318
   71    HE1  TYR   8           HE1      TYR   8   5.813  -3.829   3.757
   72    HE2  TYR   8           HE2      TYR   8   9.351  -5.950   4.851
   73    HH   TYR   8           HH       TYR   8   7.251  -5.880   6.074
   74    H    ARG   9           HN       ARG   9  12.243  -1.500   2.573
   75    HA   ARG   9           HA       ARG   9  13.471   0.834   1.700
   76    HB2  ARG   9           HB2      ARG   9  14.289  -1.669   2.720
   77    HB3  ARG   9           HB1      ARG   9  15.209  -1.411   1.244
   78    HG2  ARG   9           HG2      ARG   9  16.441   0.224   2.149
   79    HG3  ARG   9           HG1      ARG   9  15.068   0.923   3.009
   80    HD2  ARG   9           HD2      ARG   9  16.120   0.141   4.836
   81    HD3  ARG   9           HD1      ARG   9  15.388  -1.393   4.369
   82    HE   ARG   9           HE       ARG   9  17.744  -1.354   3.014
   83   HH11  ARG   9          HH11      ARG   9  16.869  -0.976   6.371
   84   HH12  ARG   9          HH12      ARG   9  18.357  -1.636   6.962
   85   HH21  ARG   9          HH21      ARG   9  19.702  -2.223   3.790
   86   HH22  ARG   9          HH22      ARG   9  19.966  -2.344   5.498
   87    H    GLY  10           HN       GLY  10  12.330  -1.902  -0.116
   88    HA2  GLY  10           HA2      GLY  10  13.842  -1.329  -2.488
   89    HA3  GLY  10           HA1      GLY  10  12.495  -2.449  -2.355
   90    H    ILE  11           HN       ILE  11  10.497  -0.731  -1.463
   91    HA   ILE  11           HA       ILE  11  10.342   1.532  -3.253
   92    HB   ILE  11           HB       ILE  11   8.319   0.787  -4.414
   93   HG12  ILE  11          HG12      ILE  11   7.620  -0.866  -2.661
   94   HG13  ILE  11          HG11      ILE  11   7.528  -1.481  -4.306
   95   HG21  ILE  11          HG21      ILE  11  10.563   0.485  -5.417
   96   HG22  ILE  11          HG22      ILE  11   9.374  -0.681  -5.998
   97   HG23  ILE  11          HG23      ILE  11  10.577  -1.169  -4.804
   98   HD11  ILE  11          HD11      ILE  11   9.020  -2.468  -2.055
   99   HD12  ILE  11          HD12      ILE  11  10.075  -2.168  -3.436
  100   HD13  ILE  11          HD13      ILE  11   8.681  -3.234  -3.607
  101    H    CYS  12           HN       CYS  12   8.028   2.494  -3.126
  102    HA   CYS  12           HA       CYS  12   6.631   1.943  -0.652
  103    HB2  CYS  12           HB2      CYS  12   8.413   3.410   0.138
  104    HB3  CYS  12           HB1      CYS  12   8.017   4.595  -1.101
  105    H    TYR  13           HN       TYR  13   4.539   2.096  -1.080
  106    HA   TYR  13           HA       TYR  13   3.447   4.304  -2.557
  107    HB2  TYR  13           HB2      TYR  13   2.370   2.936  -4.305
  108    HB3  TYR  13           HB1      TYR  13   4.127   2.887  -4.422
  109    HD1  TYR  13           HD2      TYR  13   5.338   0.856  -3.510
  110    HD2  TYR  13           HD1      TYR  13   1.121   0.958  -4.067
  111    HE1  TYR  13           HE2      TYR  13   5.277  -1.602  -3.454
  112    HE2  TYR  13           HE1      TYR  13   1.048  -1.499  -4.012
  113    HH   TYR  13           HH       TYR  13   3.189  -3.417  -4.593
  114    H    ARG  14           HN       ARG  14   1.121   4.366  -2.491
  115    HA   ARG  14           HA       ARG  14  -0.156   2.415  -0.723
  116    HB2  ARG  14           HB2      ARG  14  -1.261   4.329   0.502
  117    HB3  ARG  14           HB1      ARG  14   0.451   4.104   0.833
  118    HG2  ARG  14           HG2      ARG  14   1.055   5.978  -0.450
  119    HG3  ARG  14           HG1      ARG  14  -0.536   6.069  -1.207
  120    HD2  ARG  14           HD2      ARG  14  -0.210   6.375   1.756
  121    HD3  ARG  14           HD1      ARG  14   0.040   7.741   0.671
  122    HE   ARG  14           HE       ARG  14  -2.416   6.572   0.042
  123   HH11  ARG  14          HH11      ARG  14  -0.925   8.312   2.673
  124   HH12  ARG  14          HH12      ARG  14  -2.415   9.004   3.224
  125   HH21  ARG  14          HH21      ARG  14  -4.376   7.479   0.766
  126   HH22  ARG  14          HH22      ARG  14  -4.373   8.530   2.142
  127    H    ARG  15           HN       ARG  15  -2.033   1.772  -1.540
  128    HA   ARG  15           HA       ARG  15  -3.517   3.615  -3.291
  129    HB2  ARG  15           HB2      ARG  15  -4.132   1.728  -4.722
  130    HB3  ARG  15           HB1      ARG  15  -2.387   1.932  -4.665
  131    HG2  ARG  15           HG2      ARG  15  -2.239   0.104  -3.034
  132    HG3  ARG  15           HG1      ARG  15  -3.987  -0.114  -3.140
  133    HD2  ARG  15           HD2      ARG  15  -3.313  -0.217  -5.755
  134    HD3  ARG  15           HD1      ARG  15  -1.857  -0.890  -5.022
  135    HE   ARG  15           HE       ARG  15  -4.430  -2.132  -5.205
  136   HH11  ARG  15          HH11      ARG  15  -1.493  -1.976  -3.328
  137   HH12  ARG  15          HH12      ARG  15  -1.675  -3.571  -2.678
  138   HH21  ARG  15          HH21      ARG  15  -4.672  -4.229  -4.352
  139   HH22  ARG  15          HH22      ARG  15  -3.480  -4.851  -3.261
  140    H    CYS  16           HN       CYS  16  -5.540   3.954  -2.663
  141    HA   CYS  16           HA       CYS  16  -6.738   2.072  -0.746
  142    HB2  CYS  16           HB2      CYS  16  -6.367   4.764  -0.473
  143    HB3  CYS  16           HB1      CYS  16  -8.015   4.704  -1.088
  144    H    ARG  17           HN       ARG  17  -8.371   0.855  -1.415
  145    HA   ARG  17           HA       ARG  17  -9.777   1.625  -3.878
  146    HB2  ARG  17           HB2      ARG  17  -8.511  -0.685  -3.415
  147    HB3  ARG  17           HB1      ARG  17 -10.077  -1.103  -2.733
  148    HG2  ARG  17           HG2      ARG  17 -10.536  -1.740  -4.832
  149    HG3  ARG  17           HG1      ARG  17 -10.847  -0.022  -5.081
  150    HD2  ARG  17           HD2      ARG  17  -9.368  -0.235  -6.759
  151    HD3  ARG  17           HD1      ARG  17  -8.168  -0.122  -5.474
  152    HE   ARG  17           HE       ARG  17  -8.749  -2.779  -5.616
  153   HH11  ARG  17          HH11      ARG  17  -7.670  -0.387  -7.915
  154   HH12  ARG  17          HH12      ARG  17  -6.798  -1.528  -8.882
  155   HH21  ARG  17          HH21      ARG  17  -7.603  -4.282  -6.887
  156   HH22  ARG  17          HH22      ARG  17  -6.760  -3.740  -8.299
  157    HN1  NH2  18           HN1      NH2  18 -12.088   1.108  -3.993
  158    HN2  NH2  18           HN2      NH2  18 -13.057   1.274  -2.573
  Start of MODEL   15
    1    H1   LYS   1           HT1      LYS   1 -11.047  -4.036   5.822
    2    H2   LYS   1           HT2      LYS   1 -10.360  -5.543   5.374
    3    H3   LYS   1           HT3      LYS   1 -11.651  -4.880   4.458
    4    HA   LYS   1           HA       LYS   1  -8.968  -3.707   4.758
    5    HB2  LYS   1           HB2      LYS   1  -9.545  -5.933   3.374
    6    HB3  LYS   1           HB1      LYS   1 -10.031  -4.739   2.180
    7    HG2  LYS   1           HG2      LYS   1  -7.820  -3.754   2.217
    8    HG3  LYS   1           HG1      LYS   1  -7.322  -4.874   3.487
    9    HD2  LYS   1           HD2      LYS   1  -7.715  -6.758   1.960
   10    HD3  LYS   1           HD1      LYS   1  -8.179  -5.622   0.690
   11    HE2  LYS   1           HE2      LYS   1  -5.827  -4.574   1.228
   12    HE3  LYS   1           HE1      LYS   1  -5.493  -6.189   1.851
   13    HZ1  LYS   1           HZ1      LYS   1  -6.577  -6.792  -0.494
   14    HZ2  LYS   1           HZ2      LYS   1  -4.917  -6.549  -0.282
   15    HZ3  LYS   1           HZ3      LYS   1  -5.883  -5.300  -0.888
   16    H    TRP   2           HN       TRP   2  -8.611  -1.884   3.393
   17    HA   TRP   2           HA       TRP   2 -10.978  -0.633   2.218
   18    HB2  TRP   2           HB2      TRP   2 -10.828   0.218   4.533
   19    HB3  TRP   2           HB1      TRP   2  -9.188   0.770   4.214
   20    HD1  TRP   2           HD1      TRP   2 -12.166   1.268   1.812
   21    HE1  TRP   2           HE1      TRP   2 -12.537   3.796   1.506
   22    HE3  TRP   2           HE3      TRP   2  -8.756   3.006   5.202
   23    HZ2  TRP   2           HZ2      TRP   2 -11.519   6.208   2.561
   24    HZ3  TRP   2           HZ3      TRP   2  -8.517   5.437   5.493
   25    HH2  TRP   2           HH2      TRP   2  -9.870   7.004   4.198
   26    H    CYS   3           HN       CYS   3  -7.638   0.349   2.995
   27    HA   CYS   3           HA       CYS   3  -7.275   1.007   0.149
   28    HB2  CYS   3           HB2      CYS   3  -7.093   2.940   1.644
   29    HB3  CYS   3           HB1      CYS   3  -5.845   2.116   2.574
   30    H    PHE   4           HN       PHE   4  -5.188   0.606  -0.801
   31    HA   PHE   4           HA       PHE   4  -4.034  -1.882   0.174
   32    HB2  PHE   4           HB2      PHE   4  -4.696  -1.490  -2.250
   33    HB3  PHE   4           HB1      PHE   4  -3.310  -0.411  -2.360
   34    HD1  PHE   4           HD1      PHE   4  -3.848  -3.771  -0.824
   35    HD2  PHE   4           HD2      PHE   4  -1.611  -1.384  -3.547
   36    HE1  PHE   4           HE1      PHE   4  -2.394  -5.695  -1.311
   37    HE2  PHE   4           HE2      PHE   4  -0.153  -3.304  -4.039
   38    HZ   PHE   4           HZ       PHE   4  -0.545  -5.463  -2.920
   39    H    ARG   5           HN       ARG   5  -2.916  -1.039   1.998
   40    HA   ARG   5           HA       ARG   5  -0.755   0.850   1.501
   41    HB2  ARG   5           HB2      ARG   5  -1.464  -0.489   4.110
   42    HB3  ARG   5           HB1      ARG   5  -0.495   0.959   3.879
   43    HG2  ARG   5           HG2      ARG   5  -2.288   2.289   3.791
   44    HG3  ARG   5           HG1      ARG   5  -3.192   1.163   2.776
   45    HD2  ARG   5           HD2      ARG   5  -2.857   1.070   5.769
   46    HD3  ARG   5           HD1      ARG   5  -4.339   1.385   4.868
   47    HE   ARG   5           HE       ARG   5  -3.610  -1.069   4.006
   48   HH11  ARG   5          HH11      ARG   5  -4.041   0.303   7.185
   49   HH12  ARG   5          HH12      ARG   5  -4.516  -1.198   7.905
   50   HH21  ARG   5          HH21      ARG   5  -4.235  -3.044   4.951
   51   HH22  ARG   5          HH22      ARG   5  -4.625  -3.100   6.637
   52    H    VAL   6           HN       VAL   6   1.029   0.006   0.636
   53    HA   VAL   6           HA       VAL   6   2.313  -2.227   1.997
   54    HB   VAL   6           HB       VAL   6   2.874  -3.263  -0.258
   55   HG11  VAL   6          HG11      VAL   6   0.612  -4.413  -0.391
   56   HG12  VAL   6          HG12      VAL   6   0.106  -3.338   0.911
   57   HG13  VAL   6          HG13      VAL   6   1.438  -4.465   1.167
   58   HG21  VAL   6          HG21      VAL   6   0.412  -1.796  -1.180
   59   HG22  VAL   6          HG22      VAL   6   1.491  -2.816  -2.131
   60   HG23  VAL   6          HG23      VAL   6   2.049  -1.252  -1.541
   61    H    CYS   7           HN       CYS   7   4.406  -1.816   2.270
   62    HA   CYS   7           HA       CYS   7   5.763  -0.044   0.355
   63    HB2  CYS   7           HB2      CYS   7   5.249   1.299   2.309
   64    HB3  CYS   7           HB1      CYS   7   5.942   0.080   3.371
   65    H    TYR   8           HN       TYR   8   7.901  -0.500  -0.070
   66    HA   TYR   8           HA       TYR   8   8.899  -3.035   1.048
   67    HB2  TYR   8           HB2      TYR   8   8.451  -2.350  -1.612
   68    HB3  TYR   8           HB1      TYR   8  10.192  -2.182  -1.417
   69    HD1  TYR   8           HD1      TYR   8   7.366  -4.525  -1.316
   70    HD2  TYR   8           HD2      TYR   8  11.589  -4.110  -1.013
   71    HE1  TYR   8           HE1      TYR   8   7.615  -6.962  -1.530
   72    HE2  TYR   8           HE2      TYR   8  11.850  -6.546  -1.227
   73    HH   TYR   8           HH       TYR   8  10.252  -8.474  -2.375
   74    H    ARG   9           HN       ARG   9  11.259  -3.230   1.210
   75    HA   ARG   9           HA       ARG   9  12.434  -1.319   2.781
   76    HB2  ARG   9           HB2      ARG   9  14.642  -2.359   2.034
   77    HB3  ARG   9           HB1      ARG   9  13.448  -3.440   2.740
   78    HG2  ARG   9           HG2      ARG   9  13.163  -3.246  -0.135
   79    HG3  ARG   9           HG1      ARG   9  14.776  -3.782   0.341
   80    HD2  ARG   9           HD2      ARG   9  12.132  -5.023   1.078
   81    HD3  ARG   9           HD1      ARG   9  13.403  -5.720   0.074
   82    HE   ARG   9           HE       ARG   9  13.260  -5.736   2.929
   83   HH11  ARG   9          HH11      ARG   9  15.460  -5.738   0.219
   84   HH12  ARG   9          HH12      ARG   9  16.740  -6.503   1.100
   85   HH21  ARG   9          HH21      ARG   9  14.942  -6.741   4.088
   86   HH22  ARG   9          HH22      ARG   9  16.447  -7.073   3.295
   87    H    GLY  10           HN       GLY  10  12.230  -1.386  -0.696
   88    HA2  GLY  10           HA2      GLY  10  14.247   0.628  -1.106
   89    HA3  GLY  10           HA1      GLY  10  13.142  -0.006  -2.317
   90    H    ILE  11           HN       ILE  11  10.692   0.586  -1.352
   91    HA   ILE  11           HA       ILE  11  10.539   3.308  -0.433
   92    HB   ILE  11           HB       ILE  11   9.213   4.039  -2.482
   93   HG12  ILE  11          HG12      ILE  11  10.831   2.188  -4.131
   94   HG13  ILE  11          HG11      ILE  11   9.467   1.465  -3.283
   95   HG21  ILE  11          HG21      ILE  11  11.584   4.707  -1.817
   96   HG22  ILE  11          HG22      ILE  11  11.109   4.968  -3.496
   97   HG23  ILE  11          HG23      ILE  11  12.121   3.588  -3.070
   98   HD11  ILE  11          HD11      ILE  11   8.743   2.094  -5.458
   99   HD12  ILE  11          HD12      ILE  11   9.397   3.721  -5.266
  100   HD13  ILE  11          HD13      ILE  11   8.011   3.208  -4.304
  101    H    CYS  12           HN       CYS  12   8.103   4.071  -0.824
  102    HA   CYS  12           HA       CYS  12   6.405   1.794  -0.038
  103    HB2  CYS  12           HB2      CYS  12   6.120   4.697   0.761
  104    HB3  CYS  12           HB1      CYS  12   5.078   3.378   1.279
  105    H    TYR  13           HN       TYR  13   4.147   1.910  -0.641
  106    HA   TYR  13           HA       TYR  13   3.315   3.810  -2.634
  107    HB2  TYR  13           HB2      TYR  13   2.829   1.998  -4.337
  108    HB3  TYR  13           HB1      TYR  13   4.527   2.417  -4.135
  109    HD1  TYR  13           HD2      TYR  13   5.857   0.926  -2.437
  110    HD2  TYR  13           HD1      TYR  13   2.208  -0.233  -4.291
  111    HE1  TYR  13           HE2      TYR  13   6.393  -1.435  -2.003
  112    HE2  TYR  13           HE1      TYR  13   2.733  -2.597  -3.862
  113    HH   TYR  13           HH       TYR  13   4.110  -3.930  -2.337
  114    H    ARG  14           HN       ARG  14   1.210   4.153  -2.374
  115    HA   ARG  14           HA       ARG  14  -0.424   2.001  -1.197
  116    HB2  ARG  14           HB2      ARG  14  -1.812   3.915  -0.240
  117    HB3  ARG  14           HB1      ARG  14  -0.243   3.627   0.499
  118    HG2  ARG  14           HG2      ARG  14   0.707   5.516  -0.525
  119    HG3  ARG  14           HG1      ARG  14  -0.637   5.676  -1.657
  120    HD2  ARG  14           HD2      ARG  14  -0.989   7.356  -0.057
  121    HD3  ARG  14           HD1      ARG  14  -2.103   6.064   0.385
  122    HE   ARG  14           HE       ARG  14   0.127   5.549   1.858
  123   HH11  ARG  14          HH11      ARG  14  -1.956   8.322   1.476
  124   HH12  ARG  14          HH12      ARG  14  -1.690   8.900   3.087
  125   HH21  ARG  14          HH21      ARG  14   0.478   6.307   3.977
  126   HH22  ARG  14          HH22      ARG  14  -0.308   7.756   4.506
  127    H    ARG  15           HN       ARG  15  -2.790   2.262  -1.651
  128    HA   ARG  15           HA       ARG  15  -3.546   3.780  -3.974
  129    HB2  ARG  15           HB2      ARG  15  -2.423   1.866  -5.027
  130    HB3  ARG  15           HB1      ARG  15  -3.466   0.761  -4.142
  131    HG2  ARG  15           HG2      ARG  15  -5.320   2.287  -5.362
  132    HG3  ARG  15           HG1      ARG  15  -4.011   2.368  -6.543
  133    HD2  ARG  15           HD2      ARG  15  -5.096   0.481  -7.257
  134    HD3  ARG  15           HD1      ARG  15  -3.925  -0.226  -6.145
  135    HE   ARG  15           HE       ARG  15  -6.438   0.428  -4.912
  136   HH11  ARG  15          HH11      ARG  15  -4.673  -1.996  -6.700
  137   HH12  ARG  15          HH12      ARG  15  -5.651  -3.307  -6.130
  138   HH21  ARG  15          HH21      ARG  15  -7.723  -1.295  -4.161
  139   HH22  ARG  15          HH22      ARG  15  -7.383  -2.909  -4.690
  140    H    CYS  16           HN       CYS  16  -5.121   4.622  -2.598
  141    HA   CYS  16           HA       CYS  16  -7.073   2.783  -1.445
  142    HB2  CYS  16           HB2      CYS  16  -7.119   5.791  -1.246
  143    HB3  CYS  16           HB1      CYS  16  -7.876   4.618  -0.174
  144    H    ARG  17           HN       ARG  17  -7.922   2.083  -3.499
  145    HA   ARG  17           HA       ARG  17 -10.121   3.751  -4.364
  146    HB2  ARG  17           HB2      ARG  17  -7.858   4.103  -5.773
  147    HB3  ARG  17           HB1      ARG  17  -8.509   2.709  -6.625
  148    HG2  ARG  17           HG2      ARG  17 -10.475   3.878  -7.227
  149    HG3  ARG  17           HG1      ARG  17 -10.103   5.207  -6.125
  150    HD2  ARG  17           HD2      ARG  17  -8.587   6.135  -7.540
  151    HD3  ARG  17           HD1      ARG  17  -8.090   4.579  -8.203
  152    HE   ARG  17           HE       ARG  17 -10.751   5.301  -8.963
  153   HH11  ARG  17          HH11      ARG  17  -7.376   5.776  -9.712
  154   HH12  ARG  17          HH12      ARG  17  -7.671   6.175 -11.371
  155   HH21  ARG  17          HH21      ARG  17 -11.142   5.826 -11.144
  156   HH22  ARG  17          HH22      ARG  17  -9.809   6.205 -12.184
  157    HN1  NH2  18           HN1      NH2  18  -8.357   0.944  -5.668
  158    HN2  NH2  18           HN2      NH2  18  -9.703  -0.140  -5.620
  Start of MODEL   16
    1    H1   LYS   1           HT1      LYS   1 -13.648  -4.341   2.834
    2    H2   LYS   1           HT2      LYS   1 -14.480  -2.844   2.945
    3    H3   LYS   1           HT3      LYS   1 -13.090  -3.128   3.909
    4    HA   LYS   1           HA       LYS   1 -13.054  -3.128   0.973
    5    HB2  LYS   1           HB2      LYS   1 -13.740  -0.964   2.429
    6    HB3  LYS   1           HB1      LYS   1 -11.989  -0.834   2.523
    7    HG2  LYS   1           HG2      LYS   1 -11.771  -0.310   0.336
    8    HG3  LYS   1           HG1      LYS   1 -13.131  -1.321  -0.156
    9    HD2  LYS   1           HD2      LYS   1 -14.705   0.324   0.606
   10    HD3  LYS   1           HD1      LYS   1 -13.415   1.294   1.318
   11    HE2  LYS   1           HE2      LYS   1 -14.045   2.307  -0.754
   12    HE3  LYS   1           HE1      LYS   1 -12.458   1.571  -0.967
   13    HZ1  LYS   1           HZ1      LYS   1 -13.816  -0.427  -1.829
   14    HZ2  LYS   1           HZ2      LYS   1 -13.585   0.905  -2.846
   15    HZ3  LYS   1           HZ3      LYS   1 -15.058   0.703  -2.041
   16    H    TRP   2           HN       TRP   2 -10.808  -2.590   0.245
   17    HA   TRP   2           HA       TRP   2  -8.730  -3.386   2.143
   18    HB2  TRP   2           HB2      TRP   2  -7.752  -4.916   0.408
   19    HB3  TRP   2           HB1      TRP   2  -9.276  -5.473   1.091
   20    HD1  TRP   2           HD1      TRP   2 -11.464  -4.307  -0.599
   21    HE1  TRP   2           HE1      TRP   2 -11.661  -4.713  -3.132
   22    HE3  TRP   2           HE3      TRP   2  -6.616  -5.588  -1.597
   23    HZ2  TRP   2           HZ2      TRP   2  -9.984  -5.476  -5.271
   24    HZ3  TRP   2           HZ3      TRP   2  -5.996  -6.142  -3.912
   25    HH2  TRP   2           HH2      TRP   2  -7.646  -6.088  -5.710
   26    H    CYS   3           HN       CYS   3  -7.320  -1.773   2.117
   27    HA   CYS   3           HA       CYS   3  -6.701  -0.486  -0.462
   28    HB2  CYS   3           HB2      CYS   3  -6.462   0.730   2.297
   29    HB3  CYS   3           HB1      CYS   3  -6.181   1.546   0.763
   30    H    PHE   4           HN       PHE   4  -4.608  -0.318  -1.094
   31    HA   PHE   4           HA       PHE   4  -2.676  -1.941   0.303
   32    HB2  PHE   4           HB2      PHE   4  -2.175  -0.243  -2.142
   33    HB3  PHE   4           HB1      PHE   4  -1.286  -1.667  -1.614
   34    HD1  PHE   4           HD1      PHE   4  -3.028  -3.764  -1.234
   35    HD2  PHE   4           HD2      PHE   4  -3.437  -0.570  -4.015
   36    HE1  PHE   4           HE1      PHE   4  -4.457  -5.184  -2.647
   37    HE2  PHE   4           HE2      PHE   4  -4.868  -1.982  -5.434
   38    HZ   PHE   4           HZ       PHE   4  -5.380  -4.292  -4.750
   39    H    ARG   5           HN       ARG   5  -1.936  -1.010   2.136
   40    HA   ARG   5           HA       ARG   5  -0.618   1.607   1.853
   41    HB2  ARG   5           HB2      ARG   5  -2.848   1.374   3.280
   42    HB3  ARG   5           HB1      ARG   5  -1.721   0.800   4.502
   43    HG2  ARG   5           HG2      ARG   5  -1.390   2.924   5.042
   44    HG3  ARG   5           HG1      ARG   5  -0.528   3.096   3.512
   45    HD2  ARG   5           HD2      ARG   5  -3.041   3.375   2.632
   46    HD3  ARG   5           HD1      ARG   5  -3.247   3.976   4.277
   47    HE   ARG   5           HE       ARG   5  -1.986   5.324   2.129
   48   HH11  ARG   5          HH11      ARG   5  -1.746   4.825   5.575
   49   HH12  ARG   5          HH12      ARG   5  -0.962   6.340   5.866
   50   HH21  ARG   5          HH21      ARG   5  -0.953   7.317   2.511
   51   HH22  ARG   5          HH22      ARG   5  -0.512   7.756   4.127
   52    H    VAL   6           HN       VAL   6   1.341   0.465   1.451
   53    HA   VAL   6           HA       VAL   6   2.779  -0.159   3.861
   54    HB   VAL   6           HB       VAL   6   1.727  -2.332   3.418
   55   HG11  VAL   6          HG11      VAL   6   1.781  -1.806   0.841
   56   HG12  VAL   6          HG12      VAL   6   1.822  -3.467   1.433
   57   HG13  VAL   6          HG13      VAL   6   3.313  -2.675   0.923
   58   HG21  VAL   6          HG21      VAL   6   3.866  -3.674   3.215
   59   HG22  VAL   6          HG22      VAL   6   3.829  -2.457   4.491
   60   HG23  VAL   6          HG23      VAL   6   4.699  -2.134   2.991
   61    H    CYS   7           HN       CYS   7   4.946   0.171   3.636
   62    HA   CYS   7           HA       CYS   7   6.063   0.415   0.943
   63    HB2  CYS   7           HB2      CYS   7   6.095   2.585   3.041
   64    HB3  CYS   7           HB1      CYS   7   7.192   2.564   1.665
   65    H    TYR   8           HN       TYR   8   8.333   0.207   0.839
   66    HA   TYR   8           HA       TYR   8   9.784  -0.379   3.289
   67    HB2  TYR   8           HB2      TYR   8   8.842  -2.436   1.430
   68    HB3  TYR   8           HB1      TYR   8  10.578  -2.503   1.715
   69    HD1  TYR   8           HD1      TYR   8   7.307  -2.419   3.484
   70    HD2  TYR   8           HD2      TYR   8  11.417  -3.502   3.654
   71    HE1  TYR   8           HE1      TYR   8   6.905  -3.586   5.612
   72    HE2  TYR   8           HE2      TYR   8  11.027  -4.673   5.781
   73    HH   TYR   8           HH       TYR   8   9.468  -4.715   7.602
   74    H    ARG   9           HN       ARG   9  12.136  -0.952   2.723
   75    HA   ARG   9           HA       ARG   9  13.290   1.168   1.351
   76    HB2  ARG   9           HB2      ARG   9  15.392   0.018   1.589
   77    HB3  ARG   9           HB1      ARG   9  14.437  -0.254   3.039
   78    HG2  ARG   9           HG2      ARG   9  14.404  -2.252   0.817
   79    HG3  ARG   9           HG1      ARG   9  15.730  -2.222   1.979
   80    HD2  ARG   9           HD2      ARG   9  13.803  -2.202   3.739
   81    HD3  ARG   9           HD1      ARG   9  12.840  -2.843   2.409
   82    HE   ARG   9           HE       ARG   9  14.773  -4.251   3.944
   83   HH11  ARG   9          HH11      ARG   9  13.436  -3.995   0.730
   84   HH12  ARG   9          HH12      ARG   9  13.812  -5.632   0.308
   85   HH21  ARG   9          HH21      ARG   9  15.267  -6.405   3.390
   86   HH22  ARG   9          HH22      ARG   9  14.851  -7.000   1.818
   87    H    GLY  10           HN       GLY  10  12.091  -1.855   0.149
   88    HA2  GLY  10           HA2      GLY  10  13.527  -1.725  -2.349
   89    HA3  GLY  10           HA1      GLY  10  12.256  -2.863  -1.933
   90    H    ILE  11           HN       ILE  11  10.204  -1.074  -1.289
   91    HA   ILE  11           HA       ILE  11   9.840   0.791  -3.448
   92    HB   ILE  11           HB       ILE  11   9.358  -1.321  -4.605
   93   HG12  ILE  11          HG12      ILE  11   6.789   0.194  -4.115
   94   HG13  ILE  11          HG11      ILE  11   8.110   0.825  -5.096
   95   HG21  ILE  11          HG21      ILE  11   7.167  -1.659  -2.561
   96   HG22  ILE  11          HG22      ILE  11   8.637  -2.627  -2.669
   97   HG23  ILE  11          HG23      ILE  11   7.445  -2.689  -3.966
   98   HD11  ILE  11          HD11      ILE  11   6.348  -0.180  -6.452
   99   HD12  ILE  11          HD12      ILE  11   6.601  -1.722  -5.635
  100   HD13  ILE  11          HD13      ILE  11   7.881  -1.032  -6.634
  101    H    CYS  12           HN       CYS  12   7.804   1.952  -3.301
  102    HA   CYS  12           HA       CYS  12   6.380   1.620  -0.757
  103    HB2  CYS  12           HB2      CYS  12   8.050   3.350  -0.363
  104    HB3  CYS  12           HB1      CYS  12   7.524   4.221  -1.799
  105    H    TYR  13           HN       TYR  13   4.256   1.565  -1.070
  106    HA   TYR  13           HA       TYR  13   3.051   3.203  -3.165
  107    HB2  TYR  13           HB2      TYR  13   1.625   1.161  -3.803
  108    HB3  TYR  13           HB1      TYR  13   3.276   1.224  -4.410
  109    HD1  TYR  13           HD2      TYR  13   1.016  -0.402  -2.007
  110    HD2  TYR  13           HD1      TYR  13   4.926  -0.366  -3.682
  111    HE1  TYR  13           HE2      TYR  13   1.455  -2.608  -1.014
  112    HE2  TYR  13           HE1      TYR  13   5.376  -2.573  -2.694
  113    HH   TYR  13           HH       TYR  13   4.563  -3.960  -0.839
  114    H    ARG  14           HN       ARG  14   1.206   4.116  -2.513
  115    HA   ARG  14           HA       ARG  14  -0.282   2.888  -0.299
  116    HB2  ARG  14           HB2      ARG  14  -0.606   5.145   0.694
  117    HB3  ARG  14           HB1      ARG  14   1.064   4.596   0.737
  118    HG2  ARG  14           HG2      ARG  14   0.885   5.979  -1.650
  119    HG3  ARG  14           HG1      ARG  14  -0.094   6.928  -0.531
  120    HD2  ARG  14           HD2      ARG  14   2.488   5.980   0.522
  121    HD3  ARG  14           HD1      ARG  14   2.588   7.163  -0.782
  122    HE   ARG  14           HE       ARG  14   0.730   8.064   1.115
  123   HH11  ARG  14          HH11      ARG  14   4.164   7.532   0.789
  124   HH12  ARG  14          HH12      ARG  14   4.591   8.771   1.921
  125   HH21  ARG  14          HH21      ARG  14   1.290   9.695   2.604
  126   HH22  ARG  14          HH22      ARG  14   2.959   9.999   2.953
  127    H    ARG  15           HN       ARG  15  -2.209   2.422  -1.128
  128    HA   ARG  15           HA       ARG  15  -3.682   4.533  -2.516
  129    HB2  ARG  15           HB2      ARG  15  -2.974   1.853  -3.625
  130    HB3  ARG  15           HB1      ARG  15  -4.544   2.536  -4.021
  131    HG2  ARG  15           HG2      ARG  15  -2.935   4.649  -4.533
  132    HG3  ARG  15           HG1      ARG  15  -1.863   3.304  -4.933
  133    HD2  ARG  15           HD2      ARG  15  -2.881   3.430  -6.939
  134    HD3  ARG  15           HD1      ARG  15  -4.134   2.486  -6.135
  135    HE   ARG  15           HE       ARG  15  -4.741   5.139  -5.666
  136   HH11  ARG  15          HH11      ARG  15  -4.391   3.057  -8.445
  137   HH12  ARG  15          HH12      ARG  15  -5.535   3.935  -9.402
  138   HH21  ARG  15          HH21      ARG  15  -6.246   6.295  -6.924
  139   HH22  ARG  15          HH22      ARG  15  -6.588   5.774  -8.540
  140    H    CYS  16           HN       CYS  16  -5.906   4.452  -2.251
  141    HA   CYS  16           HA       CYS  16  -7.129   2.211  -0.891
  142    HB2  CYS  16           HB2      CYS  16  -6.147   3.569   0.951
  143    HB3  CYS  16           HB1      CYS  16  -7.118   4.937   0.420
  144    H    ARG  17           HN       ARG  17  -7.611   3.117  -3.420
  145    HA   ARG  17           HA       ARG  17 -10.186   4.527  -3.181
  146    HB2  ARG  17           HB2      ARG  17  -8.407   4.337  -5.617
  147    HB3  ARG  17           HB1      ARG  17  -9.890   5.272  -5.476
  148    HG2  ARG  17           HG2      ARG  17  -7.414   5.751  -3.834
  149    HG3  ARG  17           HG1      ARG  17  -7.831   6.631  -5.305
  150    HD2  ARG  17           HD2      ARG  17  -9.748   6.472  -3.007
  151    HD3  ARG  17           HD1      ARG  17  -8.447   7.661  -3.017
  152    HE   ARG  17           HE       ARG  17 -10.842   7.703  -4.596
  153   HH11  ARG  17          HH11      ARG  17  -7.527   8.779  -4.419
  154   HH12  ARG  17          HH12      ARG  17  -7.781  10.138  -5.460
  155   HH21  ARG  17          HH21      ARG  17 -11.179   9.490  -5.967
  156   HH22  ARG  17          HH22      ARG  17  -9.855  10.543  -6.339
  157    HN1  NH2  18           HN1      NH2  18  -8.497   1.966  -4.960
  158    HN2  NH2  18           HN2      NH2  18  -9.914   1.052  -5.340
  Start of MODEL   17
    1    H1   LYS   1           HT1      LYS   1 -13.594  -0.965   4.666
    2    H2   LYS   1           HT2      LYS   1 -14.080   0.609   4.184
    3    H3   LYS   1           HT3      LYS   1 -12.553   0.371   4.932
    4    HA   LYS   1           HA       LYS   1 -13.359  -0.796   2.355
    5    HB2  LYS   1           HB2      LYS   1 -11.924   0.953   1.373
    6    HB3  LYS   1           HB1      LYS   1 -13.301   1.638   2.224
    7    HG2  LYS   1           HG2      LYS   1 -10.817   1.332   3.787
    8    HG3  LYS   1           HG1      LYS   1 -10.802   2.540   2.501
    9    HD2  LYS   1           HD2      LYS   1 -13.023   2.402   4.518
   10    HD3  LYS   1           HD1      LYS   1 -11.535   3.297   4.834
   11    HE2  LYS   1           HE2      LYS   1 -13.188   3.743   2.363
   12    HE3  LYS   1           HE1      LYS   1 -13.498   4.604   3.869
   13    HZ1  LYS   1           HZ1      LYS   1 -10.811   4.590   2.643
   14    HZ2  LYS   1           HZ2      LYS   1 -11.458   5.685   3.758
   15    HZ3  LYS   1           HZ3      LYS   1 -11.989   5.701   2.152
   16    H    TRP   2           HN       TRP   2 -11.113  -0.993   1.109
   17    HA   TRP   2           HA       TRP   2  -9.189  -2.265   2.944
   18    HB2  TRP   2           HB2      TRP   2  -9.882  -3.272   0.179
   19    HB3  TRP   2           HB1      TRP   2  -8.837  -4.050   1.363
   20    HD1  TRP   2           HD1      TRP   2 -10.862  -3.678   3.875
   21    HE1  TRP   2           HE1      TRP   2 -12.931  -5.204   3.999
   22    HE3  TRP   2           HE3      TRP   2 -11.157  -5.053  -1.041
   23    HZ2  TRP   2           HZ2      TRP   2 -14.484  -6.780   2.246
   24    HZ3  TRP   2           HZ3      TRP   2 -12.964  -6.572  -1.735
   25    HH2  TRP   2           HH2      TRP   2 -14.592  -7.417  -0.124
   26    H    CYS   3           HN       CYS   3  -7.366  -1.139   2.911
   27    HA   CYS   3           HA       CYS   3  -6.552   0.182   0.415
   28    HB2  CYS   3           HB2      CYS   3  -5.666   0.681   3.265
   29    HB3  CYS   3           HB1      CYS   3  -5.071   1.551   1.856
   30    H    PHE   4           HN       PHE   4  -5.034  -0.785  -0.742
   31    HA   PHE   4           HA       PHE   4  -3.367  -2.838   0.459
   32    HB2  PHE   4           HB2      PHE   4  -3.454  -1.913  -2.418
   33    HB3  PHE   4           HB1      PHE   4  -2.714  -3.389  -1.809
   34    HD1  PHE   4           HD1      PHE   4  -4.253  -5.101  -0.692
   35    HD2  PHE   4           HD2      PHE   4  -5.666  -1.906  -3.123
   36    HE1  PHE   4           HE1      PHE   4  -6.369  -6.307  -1.042
   37    HE2  PHE   4           HE2      PHE   4  -7.783  -3.106  -3.477
   38    HZ   PHE   4           HZ       PHE   4  -8.138  -5.310  -2.436
   39    H    ARG   5           HN       ARG   5  -2.492  -0.818   1.731
   40    HA   ARG   5           HA       ARG   5  -0.495   0.711   0.316
   41    HB2  ARG   5           HB2      ARG   5  -1.930   1.395   2.396
   42    HB3  ARG   5           HB1      ARG   5  -0.668   0.572   3.304
   43    HG2  ARG   5           HG2      ARG   5   0.755   2.188   1.595
   44    HG3  ARG   5           HG1      ARG   5  -0.647   3.175   2.009
   45    HD2  ARG   5           HD2      ARG   5  -0.071   2.326   4.446
   46    HD3  ARG   5           HD1      ARG   5   1.535   2.138   3.744
   47    HE   ARG   5           HE       ARG   5   0.334   4.707   3.254
   48   HH11  ARG   5          HH11      ARG   5   2.264   2.816   5.463
   49   HH12  ARG   5          HH12      ARG   5   3.016   4.198   6.185
   50   HH21  ARG   5          HH21      ARG   5   1.322   6.526   4.204
   51   HH22  ARG   5          HH22      ARG   5   2.480   6.305   5.472
   52    H    VAL   6           HN       VAL   6   1.385  -0.162  -0.236
   53    HA   VAL   6           HA       VAL   6   2.662  -2.041   1.641
   54    HB   VAL   6           HB       VAL   6   1.936  -3.188  -0.405
   55   HG11  VAL   6          HG11      VAL   6   2.616  -2.608  -2.557
   56   HG12  VAL   6          HG12      VAL   6   3.908  -1.562  -1.969
   57   HG13  VAL   6          HG13      VAL   6   2.225  -1.057  -1.813
   58   HG21  VAL   6          HG21      VAL   6   4.525  -3.660  -1.142
   59   HG22  VAL   6          HG22      VAL   6   3.703  -4.413   0.225
   60   HG23  VAL   6          HG23      VAL   6   4.718  -2.993   0.479
   61    H    CYS   7           HN       CYS   7   4.283  -1.018   2.616
   62    HA   CYS   7           HA       CYS   7   6.038   0.691   0.976
   63    HB2  CYS   7           HB2      CYS   7   4.616   1.888   2.713
   64    HB3  CYS   7           HB1      CYS   7   5.568   1.053   3.936
   65    H    TYR   8           HN       TYR   8   8.044  -0.033   0.796
   66    HA   TYR   8           HA       TYR   8   9.190  -1.609   2.996
   67    HB2  TYR   8           HB2      TYR   8  10.320  -3.035   1.245
   68    HB3  TYR   8           HB1      TYR   8   8.581  -3.263   1.388
   69    HD1  TYR   8           HD2      TYR   8   7.165  -1.686  -0.241
   70    HD2  TYR   8           HD1      TYR   8  11.203  -2.862  -0.875
   71    HE1  TYR   8           HE2      TYR   8   6.907  -1.251  -2.647
   72    HE2  TYR   8           HE1      TYR   8  10.957  -2.430  -3.284
   73    HH   TYR   8           HH       TYR   8   7.914  -1.875  -4.750
   74    H    ARG   9           HN       ARG   9  11.573  -1.721   2.915
   75    HA   ARG   9           HA       ARG   9  12.783   0.733   2.884
   76    HB2  ARG   9           HB2      ARG   9  14.923  -0.437   2.873
   77    HB3  ARG   9           HB1      ARG   9  13.771  -1.263   3.913
   78    HG2  ARG   9           HG2      ARG   9  14.616  -3.060   2.825
   79    HG3  ARG   9           HG1      ARG   9  13.329  -2.642   1.691
   80    HD2  ARG   9           HD2      ARG   9  15.353  -1.078   0.787
   81    HD3  ARG   9           HD1      ARG   9  16.249  -2.470   1.394
   82    HE   ARG   9           HE       ARG   9  14.637  -2.365  -0.952
   83   HH11  ARG   9          HH11      ARG   9  15.687  -4.480   1.618
   84   HH12  ARG   9          HH12      ARG   9  15.491  -5.922   0.678
   85   HH21  ARG   9          HH21      ARG   9  14.380  -4.260  -2.188
   86   HH22  ARG   9          HH22      ARG   9  14.749  -5.798  -1.482
   87    H    GLY  10           HN       GLY  10  12.191  -1.380   0.179
   88    HA2  GLY  10           HA2      GLY  10  14.021  -0.095  -1.612
   89    HA3  GLY  10           HA1      GLY  10  12.745  -1.218  -2.056
   90    H    ILE  11           HN       ILE  11  10.467  -0.028  -1.338
   91    HA   ILE  11           HA       ILE  11  10.444   2.740  -2.197
   92    HB   ILE  11           HB       ILE  11   8.873   0.717  -3.791
   93   HG12  ILE  11          HG12      ILE  11  11.440   2.154  -4.502
   94   HG13  ILE  11          HG11      ILE  11  11.240   0.420  -4.279
   95   HG21  ILE  11          HG21      ILE  11   8.609   2.696  -5.325
   96   HG22  ILE  11          HG22      ILE  11   9.288   3.686  -4.034
   97   HG23  ILE  11          HG23      ILE  11   7.775   2.818  -3.775
   98   HD11  ILE  11          HD11      ILE  11  10.950   1.947  -6.641
   99   HD12  ILE  11          HD12      ILE  11   9.377   1.260  -6.236
  100   HD13  ILE  11          HD13      ILE  11  10.778   0.205  -6.425
  101    H    CYS  12           HN       CYS  12   8.319   3.729  -1.991
  102    HA   CYS  12           HA       CYS  12   6.611   2.279  -0.077
  103    HB2  CYS  12           HB2      CYS  12   7.939   4.472   0.565
  104    HB3  CYS  12           HB1      CYS  12   6.590   5.263  -0.243
  105    H    TYR  13           HN       TYR  13   4.894   1.534  -1.155
  106    HA   TYR  13           HA       TYR  13   3.610   3.297  -3.132
  107    HB2  TYR  13           HB2      TYR  13   3.974   0.358  -2.952
  108    HB3  TYR  13           HB1      TYR  13   2.438   0.921  -3.604
  109    HD1  TYR  13           HD2      TYR  13   2.572   2.660  -5.527
  110    HD2  TYR  13           HD1      TYR  13   5.824   0.184  -4.348
  111    HE1  TYR  13           HE2      TYR  13   3.625   3.010  -7.721
  112    HE2  TYR  13           HE1      TYR  13   6.887   0.527  -6.540
  113    HH   TYR  13           HH       TYR  13   5.620   1.299  -9.097
  114    H    ARG  14           HN       ARG  14   1.260   3.265  -3.231
  115    HA   ARG  14           HA       ARG  14  -0.174   2.309  -0.902
  116    HB2  ARG  14           HB2      ARG  14  -0.306   5.251  -1.541
  117    HB3  ARG  14           HB1      ARG  14  -0.962   4.415  -0.140
  118    HG2  ARG  14           HG2      ARG  14   1.299   3.965   0.658
  119    HG3  ARG  14           HG1      ARG  14   1.962   4.797  -0.752
  120    HD2  ARG  14           HD2      ARG  14   0.299   6.698   0.174
  121    HD3  ARG  14           HD1      ARG  14   0.706   5.890   1.688
  122    HE   ARG  14           HE       ARG  14   3.118   6.266   0.530
  123   HH11  ARG  14          HH11      ARG  14   0.442   8.405   1.202
  124   HH12  ARG  14          HH12      ARG  14   1.447   9.801   1.401
  125   HH21  ARG  14          HH21      ARG  14   4.440   8.102   0.792
  126   HH22  ARG  14          HH22      ARG  14   3.716   9.631   1.168
  127    H    ARG  15           HN       ARG  15  -1.789   1.266  -1.872
  128    HA   ARG  15           HA       ARG  15  -3.305   2.695  -3.954
  129    HB2  ARG  15           HB2      ARG  15  -1.779   0.469  -4.437
  130    HB3  ARG  15           HB1      ARG  15  -3.361  -0.236  -4.137
  131    HG2  ARG  15           HG2      ARG  15  -3.633   0.113  -6.337
  132    HG3  ARG  15           HG1      ARG  15  -4.051   1.746  -5.816
  133    HD2  ARG  15           HD2      ARG  15  -2.496   2.160  -7.471
  134    HD3  ARG  15           HD1      ARG  15  -1.495   2.178  -6.019
  135    HE   ARG  15           HE       ARG  15  -0.431   0.290  -6.765
  136   HH11  ARG  15          HH11      ARG  15  -3.337   0.773  -8.636
  137   HH12  ARG  15          HH12      ARG  15  -2.953  -0.466  -9.784
  138   HH21  ARG  15          HH21      ARG  15   0.075  -1.340  -8.273
  139   HH22  ARG  15          HH22      ARG  15  -1.017  -1.666  -9.578
  140    H    CYS  16           HN       CYS  16  -5.201   3.202  -3.081
  141    HA   CYS  16           HA       CYS  16  -6.801   1.094  -1.865
  142    HB2  CYS  16           HB2      CYS  16  -5.673   2.139   0.045
  143    HB3  CYS  16           HB1      CYS  16  -6.248   3.721  -0.469
  144    H    ARG  17           HN       ARG  17  -8.417   1.118  -3.316
  145    HA   ARG  17           HA       ARG  17  -9.929   3.614  -3.597
  146    HB2  ARG  17           HB2      ARG  17  -8.322   2.811  -5.612
  147    HB3  ARG  17           HB1      ARG  17  -9.779   1.916  -6.019
  148    HG2  ARG  17           HG2      ARG  17 -10.935   4.240  -5.665
  149    HG3  ARG  17           HG1      ARG  17  -9.308   4.853  -5.970
  150    HD2  ARG  17           HD2      ARG  17  -9.250   3.969  -8.127
  151    HD3  ARG  17           HD1      ARG  17 -10.567   2.844  -7.801
  152    HE   ARG  17           HE       ARG  17 -10.809   5.489  -8.778
  153   HH11  ARG  17          HH11      ARG  17 -12.354   3.210  -6.632
  154   HH12  ARG  17          HH12      ARG  17 -13.927   3.909  -6.821
  155   HH21  ARG  17          HH21      ARG  17 -12.877   6.410  -9.025
  156   HH22  ARG  17          HH22      ARG  17 -14.225   5.725  -8.178
  157    HN1  NH2  18           HN1      NH2  18 -11.774   3.093  -2.603
  158    HN2  NH2  18           HN2      NH2  18 -12.711   1.671  -2.897
  Start of MODEL   18
    1    H1   LYS   1           HT1      LYS   1 -13.935  -1.263   0.777
    2    H2   LYS   1           HT2      LYS   1 -13.266   0.291   0.490
    3    H3   LYS   1           HT3      LYS   1 -14.765   0.139   1.312
    4    HA   LYS   1           HA       LYS   1 -12.753   0.625   2.681
    5    HB2  LYS   1           HB2      LYS   1 -13.601  -0.791   4.473
    6    HB3  LYS   1           HB1      LYS   1 -14.938  -0.142   3.532
    7    HG2  LYS   1           HG2      LYS   1 -14.578  -2.462   2.242
    8    HG3  LYS   1           HG1      LYS   1 -14.014  -2.924   3.849
    9    HD2  LYS   1           HD2      LYS   1 -16.076  -2.727   4.777
   10    HD3  LYS   1           HD1      LYS   1 -16.538  -1.388   3.723
   11    HE2  LYS   1           HE2      LYS   1 -16.252  -4.205   2.715
   12    HE3  LYS   1           HE1      LYS   1 -17.760  -3.601   3.400
   13    HZ1  LYS   1           HZ1      LYS   1 -16.376  -2.723   0.942
   14    HZ2  LYS   1           HZ2      LYS   1 -17.519  -1.736   1.703
   15    HZ3  LYS   1           HZ3      LYS   1 -17.971  -3.259   1.123
   16    H    TRP   2           HN       TRP   2 -11.653  -0.875   0.430
   17    HA   TRP   2           HA       TRP   2 -10.052  -2.885   1.871
   18    HB2  TRP   2           HB2      TRP   2 -10.957  -2.688  -0.980
   19    HB3  TRP   2           HB1      TRP   2  -9.489  -3.577  -0.592
   20    HD1  TRP   2           HD1      TRP   2 -12.442  -3.708   1.817
   21    HE1  TRP   2           HE1      TRP   2 -13.423  -6.087   1.799
   22    HE3  TRP   2           HE3      TRP   2  -9.775  -5.656  -2.084
   23    HZ2  TRP   2           HZ2      TRP   2 -13.109  -8.474   0.325
   24    HZ3  TRP   2           HZ3      TRP   2 -10.173  -7.996  -2.735
   25    HH2  TRP   2           HH2      TRP   2 -11.806  -9.374  -1.554
   26    H    CYS   3           HN       CYS   3  -8.622  -1.291   2.705
   27    HA   CYS   3           HA       CYS   3  -6.975   0.115   0.727
   28    HB2  CYS   3           HB2      CYS   3  -7.911   1.496   2.518
   29    HB3  CYS   3           HB1      CYS   3  -7.158   0.462   3.728
   30    H    PHE   4           HN       PHE   4  -5.043  -0.652   0.205
   31    HA   PHE   4           HA       PHE   4  -3.681  -2.449   2.102
   32    HB2  PHE   4           HB2      PHE   4  -3.463  -2.631  -0.904
   33    HB3  PHE   4           HB1      PHE   4  -2.883  -3.788   0.290
   34    HD1  PHE   4           HD1      PHE   4  -4.493  -5.187   1.537
   35    HD2  PHE   4           HD2      PHE   4  -5.710  -2.654  -1.659
   36    HE1  PHE   4           HE1      PHE   4  -6.609  -6.430   1.364
   37    HE2  PHE   4           HE2      PHE   4  -7.830  -3.892  -1.837
   38    HZ   PHE   4           HZ       PHE   4  -8.281  -5.783  -0.325
   39    H    ARG   5           HN       ARG   5  -1.824  -1.660   2.815
   40    HA   ARG   5           HA       ARG   5  -0.422   0.346   1.181
   41    HB2  ARG   5           HB2      ARG   5   0.668   1.000   3.346
   42    HB3  ARG   5           HB1      ARG   5  -1.067   1.280   3.282
   43    HG2  ARG   5           HG2      ARG   5  -1.521  -0.534   4.700
   44    HG3  ARG   5           HG1      ARG   5   0.100  -1.200   4.501
   45    HD2  ARG   5           HD2      ARG   5  -0.404   1.486   5.752
   46    HD3  ARG   5           HD1      ARG   5  -0.389  -0.006   6.691
   47    HE   ARG   5           HE       ARG   5   1.960  -0.092   5.354
   48   HH11  ARG   5          HH11      ARG   5   0.447   2.321   7.369
   49   HH12  ARG   5          HH12      ARG   5   1.948   2.966   7.940
   50   HH21  ARG   5          HH21      ARG   5   3.937   0.755   6.103
   51   HH22  ARG   5          HH22      ARG   5   3.930   2.078   7.222
   52    H    VAL   6           HN       VAL   6   1.705   0.097   0.666
   53    HA   VAL   6           HA       VAL   6   3.260  -2.056   1.834
   54    HB   VAL   6           HB       VAL   6   2.821  -2.012  -1.152
   55   HG11  VAL   6          HG11      VAL   6   3.916  -4.265  -0.977
   56   HG12  VAL   6          HG12      VAL   6   4.302  -3.869   0.698
   57   HG13  VAL   6          HG13      VAL   6   4.964  -2.894  -0.613
   58   HG21  VAL   6          HG21      VAL   6   1.591  -4.157  -0.762
   59   HG22  VAL   6          HG22      VAL   6   0.759  -2.717  -0.177
   60   HG23  VAL   6          HG23      VAL   6   1.593  -3.776   0.960
   61    H    CYS   7           HN       CYS   7   4.738  -0.542   2.529
   62    HA   CYS   7           HA       CYS   7   6.419   0.608   0.426
   63    HB2  CYS   7           HB2      CYS   7   4.920   2.415   1.121
   64    HB3  CYS   7           HB1      CYS   7   5.371   2.160   2.803
   65    H    TYR   8           HN       TYR   8   8.466   0.074   0.753
   66    HA   TYR   8           HA       TYR   8   9.459  -0.192   3.498
   67    HB2  TYR   8           HB2      TYR   8  10.858  -2.185   2.397
   68    HB3  TYR   8           HB1      TYR   8   9.298  -2.446   3.168
   69    HD1  TYR   8           HD1      TYR   8  11.025  -2.129  -0.075
   70    HD2  TYR   8           HD2      TYR   8   7.390  -3.124   1.899
   71    HE1  TYR   8           HE1      TYR   8  10.164  -3.098  -2.164
   72    HE2  TYR   8           HE2      TYR   8   6.519  -4.095  -0.184
   73    HH   TYR   8           HH       TYR   8   7.320  -5.004  -2.271
   74    H    ARG   9           HN       ARG   9  11.979  -0.611   3.333
   75    HA   ARG   9           HA       ARG   9  13.178   1.699   2.446
   76    HB2  ARG   9           HB2      ARG   9  15.333   0.448   2.596
   77    HB3  ARG   9           HB1      ARG   9  14.305   0.269   4.011
   78    HG2  ARG   9           HG2      ARG   9  13.765  -1.934   3.494
   79    HG3  ARG   9           HG1      ARG   9  14.259  -1.758   1.809
   80    HD2  ARG   9           HD2      ARG   9  15.917  -3.057   2.952
   81    HD3  ARG   9           HD1      ARG   9  16.602  -1.475   2.589
   82    HE   ARG   9           HE       ARG   9  15.572  -1.256   5.124
   83   HH11  ARG   9          HH11      ARG   9  17.934  -3.286   3.550
   84   HH12  ARG   9          HH12      ARG   9  18.877  -3.514   4.983
   85   HH21  ARG   9          HH21      ARG   9  16.813  -1.555   7.011
   86   HH22  ARG   9          HH22      ARG   9  18.241  -2.533   6.948
   87    H    GLY  10           HN       GLY  10  12.665  -1.303   0.685
   88    HA2  GLY  10           HA2      GLY  10  14.313  -0.764  -1.528
   89    HA3  GLY  10           HA1      GLY  10  12.922  -1.835  -1.533
   90    H    ILE  11           HN       ILE  11  10.808  -0.242  -1.144
   91    HA   ILE  11           HA       ILE  11  10.931   2.118  -2.795
   92    HB   ILE  11           HB       ILE  11   9.181   1.287  -4.391
   93   HG12  ILE  11          HG12      ILE  11   9.486  -1.357  -4.632
   94   HG13  ILE  11          HG11      ILE  11   9.754  -1.225  -2.897
   95   HG21  ILE  11          HG21      ILE  11  11.656  -0.356  -4.723
   96   HG22  ILE  11          HG22      ILE  11  11.746   1.405  -4.755
   97   HG23  ILE  11          HG23      ILE  11  10.744   0.552  -5.929
   98   HD11  ILE  11          HD11      ILE  11   7.468   0.307  -3.499
   99   HD12  ILE  11          HD12      ILE  11   7.568  -1.203  -2.594
  100   HD13  ILE  11          HD13      ILE  11   7.304  -1.235  -4.338
  101    H    CYS  12           HN       CYS  12   8.476   2.778  -3.279
  102    HA   CYS  12           HA       CYS  12   6.895   2.245  -0.856
  103    HB2  CYS  12           HB2      CYS  12   8.224   4.562  -1.131
  104    HB3  CYS  12           HB1      CYS  12   6.762   4.976  -2.018
  105    H    TYR  13           HN       TYR  13   4.794   1.830  -1.205
  106    HA   TYR  13           HA       TYR  13   3.492   2.748  -3.634
  107    HB2  TYR  13           HB2      TYR  13   4.653   0.282  -3.718
  108    HB3  TYR  13           HB1      TYR  13   3.037  -0.124  -3.148
  109    HD1  TYR  13           HD2      TYR  13   1.081   0.286  -4.561
  110    HD2  TYR  13           HD1      TYR  13   5.013   1.127  -5.950
  111    HE1  TYR  13           HE2      TYR  13   0.232   0.420  -6.865
  112    HE2  TYR  13           HE1      TYR  13   4.176   1.265  -8.258
  113    HH   TYR  13           HH       TYR  13   1.282   1.790  -9.136
  114    H    ARG  14           HN       ARG  14   1.319   3.019  -3.406
  115    HA   ARG  14           HA       ARG  14  -0.083   1.819  -1.165
  116    HB2  ARG  14           HB2      ARG  14   0.357   4.793  -1.419
  117    HB3  ARG  14           HB1      ARG  14  -0.940   4.102  -0.453
  118    HG2  ARG  14           HG2      ARG  14   0.637   3.002   0.983
  119    HG3  ARG  14           HG1      ARG  14   1.981   3.501  -0.046
  120    HD2  ARG  14           HD2      ARG  14   0.385   5.768   0.770
  121    HD3  ARG  14           HD1      ARG  14   0.957   4.854   2.165
  122    HE   ARG  14           HE       ARG  14   3.027   5.343   0.256
  123   HH11  ARG  14          HH11      ARG  14   1.247   6.756   2.906
  124   HH12  ARG  14          HH12      ARG  14   2.515   7.853   3.336
  125   HH21  ARG  14          HH21      ARG  14   4.695   6.785   0.821
  126   HH22  ARG  14          HH22      ARG  14   4.473   7.869   2.154
  127    H    ARG  15           HN       ARG  15  -2.179   1.453  -1.626
  128    HA   ARG  15           HA       ARG  15  -3.556   3.026  -3.635
  129    HB2  ARG  15           HB2      ARG  15  -2.228   0.797  -4.508
  130    HB3  ARG  15           HB1      ARG  15  -3.824   0.145  -4.166
  131    HG2  ARG  15           HG2      ARG  15  -3.926   0.760  -6.405
  132    HG3  ARG  15           HG1      ARG  15  -4.718   2.092  -5.561
  133    HD2  ARG  15           HD2      ARG  15  -3.139   3.568  -6.164
  134    HD3  ARG  15           HD1      ARG  15  -1.828   2.428  -5.870
  135    HE   ARG  15           HE       ARG  15  -1.853   1.873  -8.092
  136   HH11  ARG  15          HH11      ARG  15  -4.772   3.625  -7.330
  137   HH12  ARG  15          HH12      ARG  15  -5.264   3.773  -8.983
  138   HH21  ARG  15          HH21      ARG  15  -2.498   2.066 -10.267
  139   HH22  ARG  15          HH22      ARG  15  -3.974   2.888 -10.652
  140    H    CYS  16           HN       CYS  16  -5.421   3.494  -2.694
  141    HA   CYS  16           HA       CYS  16  -7.031   1.359  -1.548
  142    HB2  CYS  16           HB2      CYS  16  -6.445   3.866   0.035
  143    HB3  CYS  16           HB1      CYS  16  -7.429   2.499   0.546
  144    H    ARG  17           HN       ARG  17  -8.591   1.613  -3.086
  145    HA   ARG  17           HA       ARG  17  -9.739   4.277  -3.487
  146    HB2  ARG  17           HB2      ARG  17  -9.091   2.872  -5.461
  147    HB3  ARG  17           HB1      ARG  17 -10.345   1.730  -4.995
  148    HG2  ARG  17           HG2      ARG  17 -11.802   3.977  -5.070
  149    HG3  ARG  17           HG1      ARG  17 -10.568   4.381  -6.267
  150    HD2  ARG  17           HD2      ARG  17 -11.721   1.678  -6.478
  151    HD3  ARG  17           HD1      ARG  17 -12.827   3.008  -6.822
  152    HE   ARG  17           HE       ARG  17 -10.666   2.106  -8.455
  153   HH11  ARG  17          HH11      ARG  17 -12.521   4.923  -7.562
  154   HH12  ARG  17          HH12      ARG  17 -12.212   5.752  -9.051
  155   HH21  ARG  17          HH21      ARG  17 -10.258   3.194 -10.413
  156   HH22  ARG  17          HH22      ARG  17 -10.927   4.770 -10.669
  157    HN1  NH2  18           HN1      NH2  18 -10.653   0.997  -2.547
  158    HN2  NH2  18           HN2      NH2  18 -12.174   1.425  -1.850
  Start of MODEL   19
    1    H1   LYS   1           HT1      LYS   1  -9.274  -4.959   5.201
    2    H2   LYS   1           HT2      LYS   1  -9.551  -3.358   5.759
    3    H3   LYS   1           HT3      LYS   1  -8.193  -4.244   6.324
    4    HA   LYS   1           HA       LYS   1  -7.376  -2.761   4.779
    5    HB2  LYS   1           HB2      LYS   1  -6.964  -5.386   4.626
    6    HB3  LYS   1           HB1      LYS   1  -7.707  -5.169   3.048
    7    HG2  LYS   1           HG2      LYS   1  -6.009  -3.597   2.403
    8    HG3  LYS   1           HG1      LYS   1  -5.316  -3.623   4.025
    9    HD2  LYS   1           HD2      LYS   1  -3.922  -5.150   3.125
   10    HD3  LYS   1           HD1      LYS   1  -5.263  -6.256   3.429
   11    HE2  LYS   1           HE2      LYS   1  -5.772  -6.454   1.235
   12    HE3  LYS   1           HE1      LYS   1  -5.363  -4.776   0.881
   13    HZ1  LYS   1           HZ1      LYS   1  -2.983  -5.459   1.118
   14    HZ2  LYS   1           HZ2      LYS   1  -3.784  -6.126  -0.214
   15    HZ3  LYS   1           HZ3      LYS   1  -3.504  -7.068   1.163
   16    H    TRP   2           HN       TRP   2  -8.935  -1.185   4.219
   17    HA   TRP   2           HA       TRP   2 -10.773  -1.749   2.042
   18    HB2  TRP   2           HB2      TRP   2 -10.276   0.924   3.356
   19    HB3  TRP   2           HB1      TRP   2 -11.700   0.410   2.457
   20    HD1  TRP   2           HD1      TRP   2 -11.068   1.260   5.769
   21    HE1  TRP   2           HE1      TRP   2 -12.395  -0.131   7.479
   22    HE3  TRP   2           HE3      TRP   2 -12.386  -2.667   2.773
   23    HZ2  TRP   2           HZ2      TRP   2 -13.813  -2.571   7.549
   24    HZ3  TRP   2           HZ3      TRP   2 -13.728  -4.489   3.739
   25    HH2  TRP   2           HH2      TRP   2 -14.425  -4.440   6.079
   26    H    CYS   3           HN       CYS   3  -7.762  -0.051   2.603
   27    HA   CYS   3           HA       CYS   3  -7.628   0.548  -0.280
   28    HB2  CYS   3           HB2      CYS   3  -6.711   2.176   2.079
   29    HB3  CYS   3           HB1      CYS   3  -6.021   2.417   0.478
   30    H    PHE   4           HN       PHE   4  -5.416   0.631  -1.158
   31    HA   PHE   4           HA       PHE   4  -3.902  -1.641  -0.240
   32    HB2  PHE   4           HB2      PHE   4  -3.532   0.274  -2.545
   33    HB3  PHE   4           HB1      PHE   4  -2.420  -1.047  -2.206
   34    HD1  PHE   4           HD1      PHE   4  -3.371  -3.412  -2.163
   35    HD2  PHE   4           HD2      PHE   4  -5.449  -0.084  -3.811
   36    HE1  PHE   4           HE1      PHE   4  -4.796  -4.946  -3.453
   37    HE2  PHE   4           HE2      PHE   4  -6.879  -1.612  -5.103
   38    HZ   PHE   4           HZ       PHE   4  -6.554  -4.046  -4.926
   39    H    ARG   5           HN       ARG   5  -2.544  -1.454   1.411
   40    HA   ARG   5           HA       ARG   5  -0.774   0.895   1.502
   41    HB2  ARG   5           HB2      ARG   5  -2.778   0.482   3.310
   42    HB3  ARG   5           HB1      ARG   5  -1.429  -0.319   4.104
   43    HG2  ARG   5           HG2      ARG   5  -1.321   2.505   3.074
   44    HG3  ARG   5           HG1      ARG   5  -1.753   2.074   4.730
   45    HD2  ARG   5           HD2      ARG   5   0.372   1.536   5.288
   46    HD3  ARG   5           HD1      ARG   5   0.742   0.892   3.689
   47    HE   ARG   5           HE       ARG   5   0.506   3.612   3.355
   48   HH11  ARG   5          HH11      ARG   5   2.500   1.478   5.265
   49   HH12  ARG   5          HH12      ARG   5   3.855   2.555   5.282
   50   HH21  ARG   5          HH21      ARG   5   2.288   5.030   3.375
   51   HH22  ARG   5          HH22      ARG   5   3.735   4.571   4.209
   52    H    VAL   6           HN       VAL   6   1.080  -0.018   0.797
   53    HA   VAL   6           HA       VAL   6   2.388  -1.910   2.541
   54    HB   VAL   6           HB       VAL   6   2.989  -3.427   0.595
   55   HG11  VAL   6          HG11      VAL   6   1.160  -4.858   0.986
   56   HG12  VAL   6          HG12      VAL   6   0.067  -3.509   1.295
   57   HG13  VAL   6          HG13      VAL   6   1.331  -3.904   2.459
   58   HG21  VAL   6          HG21      VAL   6   0.456  -2.452  -0.672
   59   HG22  VAL   6          HG22      VAL   6   1.752  -3.422  -1.372
   60   HG23  VAL   6          HG23      VAL   6   2.005  -1.704  -1.062
   61    H    CYS   7           HN       CYS   7   4.614  -1.859   2.369
   62    HA   CYS   7           HA       CYS   7   5.742  -0.106   0.296
   63    HB2  CYS   7           HB2      CYS   7   5.598   1.229   2.310
   64    HB3  CYS   7           HB1      CYS   7   6.360  -0.045   3.256
   65    H    TYR   8           HN       TYR   8   7.996  -0.451  -0.156
   66    HA   TYR   8           HA       TYR   8   8.785  -3.237   0.312
   67    HB2  TYR   8           HB2      TYR   8   8.576  -2.018  -2.040
   68    HB3  TYR   8           HB1      TYR   8  10.211  -1.497  -1.647
   69    HD1  TYR   8           HD1      TYR   8   8.259  -4.684  -1.402
   70    HD2  TYR   8           HD2      TYR   8  11.859  -2.771  -2.618
   71    HE1  TYR   8           HE1      TYR   8   9.128  -6.842  -2.199
   72    HE2  TYR   8           HE2      TYR   8  12.739  -4.924  -3.418
   73    HH   TYR   8           HH       TYR   8  11.928  -7.091  -4.142
   74    H    ARG   9           HN       ARG   9  11.343  -3.419   0.136
   75    HA   ARG   9           HA       ARG   9  12.432  -2.599   2.514
   76    HB2  ARG   9           HB2      ARG   9  13.295  -4.141   0.454
   77    HB3  ARG   9           HB1      ARG   9  14.362  -2.754   0.285
   78    HG2  ARG   9           HG2      ARG   9  14.579  -3.174   2.927
   79    HG3  ARG   9           HG1      ARG   9  14.252  -4.820   2.381
   80    HD2  ARG   9           HD2      ARG   9  16.462  -3.000   1.438
   81    HD3  ARG   9           HD1      ARG   9  16.633  -4.450   2.426
   82    HE   ARG   9           HE       ARG   9  15.358  -5.106   0.003
   83   HH11  ARG   9          HH11      ARG   9  18.483  -4.166   1.241
   84   HH12  ARG   9          HH12      ARG   9  19.362  -4.976  -0.012
   85   HH21  ARG   9          HH21      ARG   9  16.513  -6.173  -1.645
   86   HH22  ARG   9          HH22      ARG   9  18.245  -6.116  -1.650
   87    H    GLY  10           HN       GLY  10  12.162  -0.785  -0.448
   88    HA2  GLY  10           HA2      GLY  10  13.007   1.612   0.951
   89    HA3  GLY  10           HA1      GLY  10  14.045   1.131  -0.382
   90    H    ILE  11           HN       ILE  11  10.611   0.549  -0.475
   91    HA   ILE  11           HA       ILE  11  10.085   2.947  -2.024
   92    HB   ILE  11           HB       ILE  11   9.589   0.258  -3.297
   93   HG12  ILE  11          HG12      ILE  11  11.811   2.245  -3.830
   94   HG13  ILE  11          HG11      ILE  11  11.999   0.626  -3.164
   95   HG21  ILE  11          HG21      ILE  11   8.065   2.029  -3.979
   96   HG22  ILE  11          HG22      ILE  11   9.149   1.593  -5.301
   97   HG23  ILE  11          HG23      ILE  11   9.433   3.068  -4.378
   98   HD11  ILE  11          HD11      ILE  11  12.019  -0.299  -5.181
   99   HD12  ILE  11          HD12      ILE  11  12.217   1.337  -5.808
  100   HD13  ILE  11          HD13      ILE  11  10.609   0.620  -5.709
  101    H    CYS  12           HN       CYS  12   8.372   3.630  -0.880
  102    HA   CYS  12           HA       CYS  12   6.321   1.704  -0.080
  103    HB2  CYS  12           HB2      CYS  12   6.594   4.626   0.648
  104    HB3  CYS  12           HB1      CYS  12   5.446   3.487   1.340
  105    H    TYR  13           HN       TYR  13   4.126   1.985  -0.577
  106    HA   TYR  13           HA       TYR  13   3.269   4.065  -2.366
  107    HB2  TYR  13           HB2      TYR  13   2.640   2.596  -4.222
  108    HB3  TYR  13           HB1      TYR  13   4.379   2.549  -3.950
  109    HD1  TYR  13           HD1      TYR  13   5.362   0.572  -2.730
  110    HD2  TYR  13           HD2      TYR  13   1.339   0.632  -4.113
  111    HE1  TYR  13           HE1      TYR  13   5.272  -1.878  -2.554
  112    HE2  TYR  13           HE2      TYR  13   1.237  -1.819  -3.940
  113    HH   TYR  13           HH       TYR  13   3.533  -3.643  -2.284
  114    H    ARG  14           HN       ARG  14   1.116   4.401  -2.206
  115    HA   ARG  14           HA       ARG  14  -0.591   2.279  -1.147
  116    HB2  ARG  14           HB2      ARG  14  -1.566   3.777   0.537
  117    HB3  ARG  14           HB1      ARG  14   0.148   3.511   0.827
  118    HG2  ARG  14           HG2      ARG  14   0.643   5.680  -0.217
  119    HG3  ARG  14           HG1      ARG  14  -1.088   5.949  -0.436
  120    HD2  ARG  14           HD2      ARG  14   0.452   5.738   2.139
  121    HD3  ARG  14           HD1      ARG  14  -0.469   7.113   1.531
  122    HE   ARG  14           HE       ARG  14  -1.489   4.831   2.948
  123   HH11  ARG  14          HH11      ARG  14  -2.279   7.392   0.713
  124   HH12  ARG  14          HH12      ARG  14  -3.967   7.375   1.096
  125   HH21  ARG  14          HH21      ARG  14  -3.710   4.807   3.452
  126   HH22  ARG  14          HH22      ARG  14  -4.780   5.908   2.652
  127    H    ARG  15           HN       ARG  15  -2.591   2.275  -2.006
  128    HA   ARG  15           HA       ARG  15  -3.512   4.671  -3.430
  129    HB2  ARG  15           HB2      ARG  15  -3.600   1.858  -4.538
  130    HB3  ARG  15           HB1      ARG  15  -4.278   3.286  -5.308
  131    HG2  ARG  15           HG2      ARG  15  -1.418   3.433  -4.614
  132    HG3  ARG  15           HG1      ARG  15  -1.856   2.287  -5.882
  133    HD2  ARG  15           HD2      ARG  15  -2.607   5.208  -5.836
  134    HD3  ARG  15           HD1      ARG  15  -1.281   4.515  -6.769
  135    HE   ARG  15           HE       ARG  15  -4.043   4.498  -7.455
  136   HH11  ARG  15          HH11      ARG  15  -1.102   2.638  -7.711
  137   HH12  ARG  15          HH12      ARG  15  -1.597   1.818  -9.154
  138   HH21  ARG  15          HH21      ARG  15  -4.697   3.422  -9.353
  139   HH22  ARG  15          HH22      ARG  15  -3.638   2.264 -10.086
  140    H    CYS  16           HN       CYS  16  -5.779   4.859  -3.653
  141    HA   CYS  16           HA       CYS  16  -7.325   3.053  -1.912
  142    HB2  CYS  16           HB2      CYS  16  -7.187   6.016  -2.008
  143    HB3  CYS  16           HB1      CYS  16  -8.781   5.308  -1.766
  144    H    ARG  17           HN       ARG  17  -8.025   1.784  -3.645
  145    HA   ARG  17           HA       ARG  17 -10.030   3.092  -5.351
  146    HB2  ARG  17           HB2      ARG  17  -7.678   2.283  -6.377
  147    HB3  ARG  17           HB1      ARG  17  -8.575   0.775  -6.495
  148    HG2  ARG  17           HG2      ARG  17 -10.390   2.435  -7.541
  149    HG3  ARG  17           HG1      ARG  17  -8.919   3.312  -7.965
  150    HD2  ARG  17           HD2      ARG  17  -8.077   1.027  -8.818
  151    HD3  ARG  17           HD1      ARG  17  -9.775   0.554  -8.772
  152    HE   ARG  17           HE       ARG  17  -9.297   3.009 -10.187
  153   HH11  ARG  17          HH11      ARG  17  -9.393  -0.469 -10.447
  154   HH12  ARG  17          HH12      ARG  17  -9.689  -0.460 -12.153
  155   HH21  ARG  17          HH21      ARG  17  -9.684   3.024 -12.432
  156   HH22  ARG  17          HH22      ARG  17  -9.853   1.524 -13.281
  157    HN1  NH2  18           HN1      NH2  18 -10.404   1.680  -2.888
  158    HN2  NH2  18           HN2      NH2  18 -11.339   0.270  -3.235
  Start of MODEL   20
    1    H1   LYS   1           HT1      LYS   1 -15.022  -0.255   4.440
    2    H2   LYS   1           HT2      LYS   1 -13.903   1.044   4.350
    3    H3   LYS   1           HT3      LYS   1 -13.713  -0.174   5.545
    4    HA   LYS   1           HA       LYS   1 -13.478  -1.790   3.713
    5    HB2  LYS   1           HB2      LYS   1 -13.697   0.797   2.253
    6    HB3  LYS   1           HB1      LYS   1 -12.560  -0.391   1.629
    7    HG2  LYS   1           HG2      LYS   1 -14.264  -1.972   1.246
    8    HG3  LYS   1           HG1      LYS   1 -15.431  -1.055   2.201
    9    HD2  LYS   1           HD2      LYS   1 -15.825   0.448   0.529
   10    HD3  LYS   1           HD1      LYS   1 -14.200   0.293  -0.141
   11    HE2  LYS   1           HE2      LYS   1 -15.933  -2.098  -0.292
   12    HE3  LYS   1           HE1      LYS   1 -16.381  -0.734  -1.314
   13    HZ1  LYS   1           HZ1      LYS   1 -13.789  -0.853  -1.819
   14    HZ2  LYS   1           HZ2      LYS   1 -14.931  -1.731  -2.704
   15    HZ3  LYS   1           HZ3      LYS   1 -14.061  -2.485  -1.465
   16    H    TRP   2           HN       TRP   2 -11.261  -2.120   2.741
   17    HA   TRP   2           HA       TRP   2  -9.260  -0.735   4.401
   18    HB2  TRP   2           HB2      TRP   2  -9.792  -3.382   4.439
   19    HB3  TRP   2           HB1      TRP   2  -8.569  -3.342   3.173
   20    HD1  TRP   2           HD1      TRP   2  -8.897  -1.847   6.754
   21    HE1  TRP   2           HE1      TRP   2  -6.622  -2.121   7.927
   22    HE3  TRP   2           HE3      TRP   2  -6.282  -4.045   2.951
   23    HZ2  TRP   2           HZ2      TRP   2  -4.058  -3.134   7.320
   24    HZ3  TRP   2           HZ3      TRP   2  -3.923  -4.634   3.328
   25    HH2  TRP   2           HH2      TRP   2  -2.835  -4.187   5.468
   26    H    CYS   3           HN       CYS   3  -7.273  -0.153   3.482
   27    HA   CYS   3           HA       CYS   3  -7.406   0.314   0.605
   28    HB2  CYS   3           HB2      CYS   3  -6.802   2.081   2.413
   29    HB3  CYS   3           HB1      CYS   3  -5.216   1.316   2.401
   30    H    PHE   4           HN       PHE   4  -5.537  -0.066  -0.753
   31    HA   PHE   4           HA       PHE   4  -4.066  -2.472   0.083
   32    HB2  PHE   4           HB2      PHE   4  -5.078  -1.500  -2.560
   33    HB3  PHE   4           HB1      PHE   4  -3.662  -2.546  -2.521
   34    HD1  PHE   4           HD1      PHE   4  -6.974  -2.438  -0.795
   35    HD2  PHE   4           HD2      PHE   4  -4.121  -4.741  -2.956
   36    HE1  PHE   4           HE1      PHE   4  -8.439  -4.408  -0.623
   37    HE2  PHE   4           HE2      PHE   4  -5.582  -6.714  -2.789
   38    HZ   PHE   4           HZ       PHE   4  -7.744  -6.549  -1.622
   39    H    ARG   5           HN       ARG   5  -2.527  -1.126   1.226
   40    HA   ARG   5           HA       ARG   5  -0.730   0.410  -0.517
   41    HB2  ARG   5           HB2      ARG   5   0.141   1.421   1.522
   42    HB3  ARG   5           HB1      ARG   5  -1.608   1.591   1.453
   43    HG2  ARG   5           HG2      ARG   5  -1.495   0.893   3.582
   44    HG3  ARG   5           HG1      ARG   5  -1.414  -0.707   2.841
   45    HD2  ARG   5           HD2      ARG   5   1.193  -0.013   2.787
   46    HD3  ARG   5           HD1      ARG   5   0.667   0.852   4.230
   47    HE   ARG   5           HE       ARG   5  -0.252  -1.835   4.254
   48   HH11  ARG   5          HH11      ARG   5   2.591   0.123   4.772
   49   HH12  ARG   5          HH12      ARG   5   3.320  -1.005   5.866
   50   HH21  ARG   5          HH21      ARG   5   0.706  -3.319   5.693
   51   HH22  ARG   5          HH22      ARG   5   2.251  -2.958   6.388
   52    H    VAL   6           HN       VAL   6   1.533   0.099  -0.408
   53    HA   VAL   6           HA       VAL   6   2.574  -2.190   1.032
   54    HB   VAL   6           HB       VAL   6   1.705  -3.220  -1.026
   55   HG11  VAL   6          HG11      VAL   6   2.070  -2.455  -3.113
   56   HG12  VAL   6          HG12      VAL   6   3.722  -1.954  -2.756
   57   HG13  VAL   6          HG13      VAL   6   2.369  -0.927  -2.284
   58   HG21  VAL   6          HG21      VAL   6   4.695  -3.094  -0.707
   59   HG22  VAL   6          HG22      VAL   6   3.894  -4.213  -1.811
   60   HG23  VAL   6          HG23      VAL   6   3.580  -4.308  -0.078
   61    H    CYS   7           HN       CYS   7   4.449  -1.555   1.852
   62    HA   CYS   7           HA       CYS   7   6.122   0.290   0.277
   63    HB2  CYS   7           HB2      CYS   7   5.676   0.276   3.267
   64    HB3  CYS   7           HB1      CYS   7   6.885   1.258   2.447
   65    H    TYR   8           HN       TYR   8   7.993  -0.576  -0.274
   66    HA   TYR   8           HA       TYR   8   9.024  -2.852   1.256
   67    HB2  TYR   8           HB2      TYR   8  10.087  -1.857  -1.385
   68    HB3  TYR   8           HB1      TYR   8  10.276  -3.453  -0.667
   69    HD1  TYR   8           HD2      TYR   8   7.847  -4.578  -0.120
   70    HD2  TYR   8           HD1      TYR   8   8.671  -1.749  -3.189
   71    HE1  TYR   8           HE2      TYR   8   5.888  -5.377  -1.375
   72    HE2  TYR   8           HE1      TYR   8   6.714  -2.540  -4.452
   73    HH   TYR   8           HH       TYR   8   4.620  -3.699  -4.066
   74    H    ARG   9           HN       ARG   9  11.470  -2.971   1.397
   75    HA   ARG   9           HA       ARG   9  12.437  -0.866   2.948
   76    HB2  ARG   9           HB2      ARG   9  13.358  -3.417   2.088
   77    HB3  ARG   9           HB1      ARG   9  14.648  -2.258   1.795
   78    HG2  ARG   9           HG2      ARG   9  13.336  -2.053   4.419
   79    HG3  ARG   9           HG1      ARG   9  14.256  -3.532   4.135
   80    HD2  ARG   9           HD2      ARG   9  15.630  -1.099   3.272
   81    HD3  ARG   9           HD1      ARG   9  15.293  -1.148   5.002
   82    HE   ARG   9           HE       ARG   9  16.457  -3.570   3.982
   83   HH11  ARG   9          HH11      ARG   9  17.125  -0.385   5.243
   84   HH12  ARG   9          HH12      ARG   9  18.717  -0.797   5.784
   85   HH21  ARG   9          HH21      ARG   9  18.552  -4.113   4.693
   86   HH22  ARG   9          HH22      ARG   9  19.528  -2.913   5.472
   87    H    GLY  10           HN       GLY  10  12.364  -1.245  -0.479
   88    HA2  GLY  10           HA2      GLY  10  14.463   0.705  -0.955
   89    HA3  GLY  10           HA1      GLY  10  13.502  -0.115  -2.175
   90    H    ILE  11           HN       ILE  11  10.934   0.559  -1.147
   91    HA   ILE  11           HA       ILE  11  10.820   3.451  -1.005
   92    HB   ILE  11           HB       ILE  11  10.981   3.062  -3.423
   93   HG12  ILE  11          HG12      ILE  11   8.137   3.835  -2.791
   94   HG13  ILE  11          HG11      ILE  11   9.497   4.865  -2.354
   95   HG21  ILE  11          HG21      ILE  11   8.322   1.811  -3.609
   96   HG22  ILE  11          HG22      ILE  11   9.616   0.777  -3.005
   97   HG23  ILE  11          HG23      ILE  11   9.771   1.554  -4.581
   98   HD11  ILE  11          HD11      ILE  11   8.492   4.124  -5.069
   99   HD12  ILE  11          HD12      ILE  11  10.141   4.702  -4.834
  100   HD13  ILE  11          HD13      ILE  11   8.776   5.723  -4.381
  101    H    CYS  12           HN       CYS  12   8.649   4.255  -0.606
  102    HA   CYS  12           HA       CYS  12   6.808   2.187   0.396
  103    HB2  CYS  12           HB2      CYS  12   7.907   3.191   2.308
  104    HB3  CYS  12           HB1      CYS  12   7.542   4.807   1.716
  105    H    TYR  13           HN       TYR  13   4.891   2.274  -0.559
  106    HA   TYR  13           HA       TYR  13   3.688   4.847  -1.192
  107    HB2  TYR  13           HB2      TYR  13   3.193   4.245  -3.503
  108    HB3  TYR  13           HB1      TYR  13   4.933   4.238  -3.234
  109    HD1  TYR  13           HD1      TYR  13   6.033   1.954  -2.764
  110    HD2  TYR  13           HD2      TYR  13   2.143   2.384  -4.433
  111    HE1  TYR  13           HE1      TYR  13   6.161  -0.341  -3.639
  112    HE2  TYR  13           HE2      TYR  13   2.260   0.090  -5.312
  113    HH   TYR  13           HH       TYR  13   3.437  -1.979  -4.910
  114    H    ARG  14           HN       ARG  14   1.394   4.646  -1.780
  115    HA   ARG  14           HA       ARG  14   0.192   2.156  -0.765
  116    HB2  ARG  14           HB2      ARG  14  -1.020   4.882  -0.344
  117    HB3  ARG  14           HB1      ARG  14  -1.458   3.367   0.433
  118    HG2  ARG  14           HG2      ARG  14   0.556   3.360   1.716
  119    HG3  ARG  14           HG1      ARG  14   1.192   4.738   0.817
  120    HD2  ARG  14           HD2      ARG  14  -0.022   6.230   1.991
  121    HD3  ARG  14           HD1      ARG  14  -1.428   5.169   2.081
  122    HE   ARG  14           HE       ARG  14   0.717   4.255   3.725
  123   HH11  ARG  14          HH11      ARG  14  -1.918   6.538   3.568
  124   HH12  ARG  14          HH12      ARG  14  -2.094   6.643   5.287
  125   HH21  ARG  14          HH21      ARG  14   0.486   4.391   5.987
  126   HH22  ARG  14          HH22      ARG  14  -0.729   5.425   6.660
  127    H    ARG  15           HN       ARG  15  -2.120   1.901  -1.442
  128    HA   ARG  15           HA       ARG  15  -2.962   3.316  -3.809
  129    HB2  ARG  15           HB2      ARG  15  -1.352   1.066  -4.168
  130    HB3  ARG  15           HB1      ARG  15  -2.987   0.480  -4.436
  131    HG2  ARG  15           HG2      ARG  15  -2.186   3.007  -5.768
  132    HG3  ARG  15           HG1      ARG  15  -1.523   1.492  -6.384
  133    HD2  ARG  15           HD2      ARG  15  -3.786   0.602  -6.635
  134    HD3  ARG  15           HD1      ARG  15  -4.452   2.109  -6.008
  135    HE   ARG  15           HE       ARG  15  -2.950   2.903  -8.124
  136   HH11  ARG  15          HH11      ARG  15  -5.499   0.554  -7.722
  137   HH12  ARG  15          HH12      ARG  15  -6.083   0.725  -9.343
  138   HH21  ARG  15          HH21      ARG  15  -3.717   3.130 -10.257
  139   HH22  ARG  15          HH22      ARG  15  -5.072   2.187 -10.783
  140    H    CYS  16           HN       CYS  16  -5.053   3.631  -3.482
  141    HA   CYS  16           HA       CYS  16  -6.575   1.635  -1.960
  142    HB2  CYS  16           HB2      CYS  16  -6.613   4.545  -2.120
  143    HB3  CYS  16           HB1      CYS  16  -8.218   3.849  -2.309
  144    H    ARG  17           HN       ARG  17  -8.673   0.995  -2.664
  145    HA   ARG  17           HA       ARG  17  -9.587   1.683  -5.303
  146    HB2  ARG  17           HB2      ARG  17  -8.039  -0.781  -4.821
  147    HB3  ARG  17           HB1      ARG  17  -9.550  -1.013  -5.692
  148    HG2  ARG  17           HG2      ARG  17  -8.782   0.818  -7.254
  149    HG3  ARG  17           HG1      ARG  17  -7.204   0.688  -6.477
  150    HD2  ARG  17           HD2      ARG  17  -6.707  -1.207  -7.558
  151    HD3  ARG  17           HD1      ARG  17  -8.308  -1.890  -7.276
  152    HE   ARG  17           HE       ARG  17  -8.750  -0.038  -9.199
  153   HH11  ARG  17          HH11      ARG  17  -6.504  -2.692  -8.902
  154   HH12  ARG  17          HH12      ARG  17  -6.433  -2.987 -10.606
  155   HH21  ARG  17          HH21      ARG  17  -8.659  -0.424 -11.442
  156   HH22  ARG  17          HH22      ARG  17  -7.657  -1.700 -12.049
  157    HN1  NH2  18           HN1      NH2  18 -11.743   1.432  -5.439
  158    HN2  NH2  18           HN2      NH2  18 -12.718   0.571  -4.304