*HEADER    LIPID BINDING PROTEIN                   13-MAY-11   2LD0              
*TITLE     SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF HUNTINGTIN (HTT17) IN  
*TITLE    2 50 % TFE                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HUNTINGTIN;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL RESIDUES 1-17;                                  
*COMPND   5 SYNONYM: HUNTINGTON DISEASE PROTEIN, HD PROTEIN;                     
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606;                                                
*SOURCE   6 OTHER_DETAILS: C-TERMINALLY AMIDATED PEPTIDE                         
*KEYWDS    ALPHA HELIX, LIPID BINDING PROTEIN                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.MICHALEK, E.S.SALNIKOV, S.WERTEN, B.BECHINGER                       
*REVDAT   1   16-MAY-12 2LD0    0                                                


assign ( resid   3 and name   HN ) ( resid   3 and name   HA ) 3.40 3.40 0.00 
assign ( resid   3 and name   HN ) ( resid   3 and name   HB ) 5.00 5.00 0.00 
assign ( resid   3 and name   HN ) ( resid   3 and name  HG1 ) 5.00 5.00 0.00 
assign ( resid   3 and name   HN ) ( resid   4 and name   HG ) 5.00 5.00 0.00 
assign ( resid   4 and name   HN ) ( resid   3 and name   HA ) 2.80 2.80 0.00 
assign ( resid   4 and name   HN ) ( resid   3 and name   HN ) 5.00 5.00 0.00 
assign ( resid   4 and name   HN ) ( resid   4 and name   HA ) 2.80 2.80 0.00 
assign ( resid   4 and name   HN ) ( resid   4 and name  HB+ ) 2.80 2.80 0.00 
assign ( resid   4 and name   HN ) ( resid   4 and name HD1+ ) 5.00 5.00 0.00 
assign ( resid   4 and name   HN ) ( resid   4 and name   HG ) 5.00 5.00 0.00 
assign ( resid   5 and name   HN ) ( resid   3 and name   HA ) 5.00 5.00 0.00 
assign ( resid   5 and name   HN ) ( resid   4 and name   HA ) 5.00 5.00 0.00 
assign ( resid   5 and name   HN ) ( resid   4 and name  HB+ ) 3.40 3.40 0.00 
assign ( resid   4 and name   HN ) ( resid   5 and name   HN ) 2.80 2.80 0.00 
assign ( resid   5 and name   HN ) ( resid   5 and name   HA ) 2.80 2.80 0.00 
assign ( resid   5 and name   HN ) ( resid   5 and name  HB2 ) 2.80 2.80 0.00 
assign ( resid   5 and name   HN ) ( resid   5 and name  HB1 ) 3.40 3.40 0.00 
assign ( resid   5 and name   HN ) ( resid   5 and name  HG+ ) 5.00 5.00 0.00 
assign ( resid   6 and name   HN ) ( resid   4 and name   HA ) 5.00 5.00 0.00 
assign ( resid   6 and name   HN ) ( resid   5 and name  HB2 ) 5.00 5.00 0.00 
assign ( resid   6 and name   HN ) ( resid   5 and name  HB1 ) 5.00 5.00 0.00 
assign ( resid   5 and name   HN ) ( resid   6 and name   HN ) 3.40 3.40 0.00 
assign ( resid   6 and name   HN ) ( resid   6 and name   HA ) 2.80 2.80 0.00 
assign ( resid   6 and name   HN ) ( resid   6 and name  HB+ ) 2.80 2.80 0.00 
assign ( resid   6 and name   HN ) ( resid   6 and name  HG+ ) 5.00 5.00 0.00 
assign ( resid   7 and name   HN ) ( resid   3 and name   HA ) 5.00 5.00 0.00 
assign ( resid   4 and name   HA ) ( resid   7 and name  HB+ ) 3.40 3.40 0.00 
assign ( resid   7 and name   HN ) ( resid   4 and name   HA ) 3.40 3.40 0.00 
assign ( resid   7 and name   HN ) ( resid   5 and name   HA ) 3.40 3.40 0.00 
assign ( resid   7 and name   HA ) ( resid   6 and name  HB+ ) 5.00 5.00 0.00 
assign ( resid   7 and name   HN ) ( resid   6 and name  HB+ ) 3.40 3.40 0.00 
assign ( resid   7 and name   HN ) ( resid   6 and name   HN ) 2.80 2.80 0.00 
assign ( resid   7 and name   HN ) ( resid   7 and name   HA ) 2.80 2.80 0.00 
assign ( resid   7 and name   HN ) ( resid   7 and name  HB+ ) 2.80 2.80 0.00 
assign ( resid   7 and name   HN ) ( resid   7 and name HD1+ ) 5.00 5.00 0.00 
assign ( resid   7 and name   HN ) ( resid   7 and name   HG ) 2.80 2.80 0.00 
assign ( resid   5 and name   HA ) ( resid   8 and name  HB+ ) 2.80 2.80 0.00 
assign ( resid   8 and name   HN ) ( resid   7 and name   HA ) 5.00 5.00 0.00 
assign ( resid   8 and name   HN ) ( resid   7 and name  HB+ ) 5.00 5.00 0.00 
assign ( resid   8 and name   HN ) ( resid   7 and name   HG ) 3.40 3.40 0.00 
assign ( resid   8 and name   HN ) ( resid   7 and name   HN ) 2.80 2.80 0.00 
assign ( resid   8 and name   HN ) ( resid   8 and name   HA ) 2.80 2.80 0.00 
assign ( resid   8 and name   HN ) ( resid   8 and name  HB+ ) 5.00 5.00 0.00 
assign ( resid   8 and name   HN ) ( resid   8 and name  HG2 ) 5.00 5.00 0.00 
assign ( resid   9 and name   HN ) ( resid   5 and name   HA ) 3.40 3.40 0.00 
assign ( resid   8 and name   HN ) ( resid   9 and name  HD2 ) 5.00 5.00 0.00 
assign ( resid   9 and name   HN ) ( resid   8 and name   HA ) 5.00 5.00 0.00 
assign ( resid   9 and name   HN ) ( resid   8 and name  HB+ ) 3.40 3.40 0.00 
assign ( resid   8 and name   HN ) ( resid   9 and name   HN ) 2.80 2.80 0.00 
assign ( resid   9 and name   HN ) ( resid   9 and name   HA ) 2.80 2.80 0.00 
assign ( resid   9 and name   HN ) ( resid   9 and name  HB2 ) 2.80 2.80 0.00 
assign ( resid   9 and name   HN ) ( resid   9 and name  HB1 ) 3.40 3.40 0.00 
assign ( resid   9 and name   HN ) ( resid   9 and name  HD+ ) 5.00 5.00 0.00 
assign ( resid   9 and name   HN ) ( resid   9 and name  HG+ ) 5.00 5.00 0.00 
assign ( resid   7 and name   HA ) ( resid  10 and name  HB+ ) 5.00 5.00 0.00 
assign ( resid  10 and name   HN ) ( resid   7 and name   HA ) 5.00 5.00 0.00 
assign ( resid  10 and name   HN ) ( resid   9 and name  HB2 ) 5.00 5.00 0.00 
assign ( resid  10 and name   HN ) ( resid   9 and name  HB1 ) 5.00 5.00 0.00 
assign ( resid  10 and name   HN ) ( resid   9 and name   HN ) 2.80 2.80 0.00 
assign ( resid  10 and name   HN ) ( resid  10 and name   HA ) 2.80 2.80 0.00 
assign ( resid  10 and name   HN ) ( resid  10 and name  HB+ ) 2.80 2.80 0.00 
assign ( resid  11 and name  HE+ ) ( resid   7 and name HD1+ ) 5.00 5.00 0.00 
assign ( resid  11 and name  HE+ ) ( resid   7 and name   HG ) 5.00 5.00 0.00 
assign ( resid   8 and name   HA ) ( resid  11 and name  HB+ ) 5.00 5.00 0.00 
assign ( resid  11 and name   HN ) ( resid   8 and name   HA ) 5.00 5.00 0.00 
assign ( resid  11 and name  HE+ ) ( resid  10 and name  HB+ ) 5.00 5.00 0.00 
assign ( resid  11 and name   HN ) ( resid  10 and name   HA ) 5.00 5.00 0.00 
assign ( resid  11 and name   HN ) ( resid  10 and name  HB+ ) 5.00 5.00 0.00 
assign ( resid  11 and name   HN ) ( resid  10 and name   HN ) 3.40 3.40 0.00 
assign ( resid  11 and name   HN ) ( resid  11 and name   HA ) 3.40 3.40 0.00 
assign ( resid  11 and name   HN ) ( resid  11 and name  HB+ ) 2.80 2.80 0.00 
assign ( resid  12 and name   HN ) ( resid   8 and name   HA ) 5.00 5.00 0.00 
assign ( resid   9 and name   HA ) ( resid  12 and name  HB2 ) 5.00 5.00 0.00 
assign ( resid   9 and name   HA ) ( resid  12 and name  HB1 ) 5.00 5.00 0.00 
assign ( resid  12 and name   HN ) ( resid  10 and name   HA ) 5.00 5.00 0.00 
assign ( resid  12 and name   HN ) ( resid  10 and name  HB+ ) 5.00 5.00 0.00 
assign ( resid  12 and name   HN ) ( resid  10 and name   HN ) 5.00 5.00 0.00 
assign ( resid  12 and name   HN ) ( resid  11 and name   HN ) 2.80 2.80 0.00 
assign ( resid  12 and name   HN ) ( resid  12 and name   HA ) 3.40 3.40 0.00 
assign ( resid  12 and name   HN ) ( resid  12 and name  HB+ ) 2.80 2.80 0.00 
assign ( resid  13 and name   HN ) ( resid   9 and name   HA ) 3.40 3.40 0.00 
assign ( resid  13 and name   HN ) ( resid  11 and name   HA ) 5.00 5.00 0.00 
assign ( resid  13 and name   HN ) ( resid  12 and name  HB+ ) 2.80 2.80 0.00 
assign ( resid  13 and name   HN ) ( resid  12 and name  HG2 ) 5.00 5.00 0.00 
assign ( resid  13 and name   HN ) ( resid  12 and name  HG1 ) 5.00 5.00 0.00 
assign ( resid  12 and name   HN ) ( resid  13 and name   HN ) 2.80 2.80 0.00 
assign ( resid  13 and name   HN ) ( resid  13 and name   HA ) 2.80 2.80 0.00 
assign ( resid  14 and name   HN ) ( resid  10 and name   HA ) 2.80 2.80 0.00 
assign ( resid  14 and name   HN ) ( resid  12 and name   HA ) 5.00 5.00 0.00 
assign ( resid  14 and name   HN ) ( resid  12 and name  HB2 ) 5.00 5.00 0.00 
assign ( resid  14 and name   HN ) ( resid  12 and name  HB1 ) 5.00 5.00 0.00 
assign ( resid  14 and name   HN ) ( resid  13 and name   HA ) 3.40 3.40 0.00 
assign ( resid  13 and name   HN ) ( resid  14 and name   HN ) 3.40 3.40 0.00 
assign ( resid  14 and name   HN ) ( resid  14 and name   HA ) 2.80 2.80 0.00 
assign ( resid  15 and name   HN ) ( resid  12 and name   HA ) 5.00 5.00 0.00 
assign ( resid  15 and name   HN ) ( resid  13 and name   HA ) 5.00 5.00 0.00 
assign ( resid  15 and name   HN ) ( resid  14 and name   HA ) 5.00 5.00 0.00 
assign ( resid  15 and name   HN ) ( resid  15 and name   HA ) 3.40 3.40 0.00 
assign ( resid  15 and name   HN ) ( resid  15 and name  HB+ ) 2.80 2.80 0.00 
assign ( resid  15 and name   HN ) ( resid  15 and name  HD+ ) 5.00 5.00 0.00 
assign ( resid  15 and name   HN ) ( resid  15 and name  HG+ ) 5.00 5.00 0.00 
assign ( resid  16 and name   HN ) ( resid  15 and name  HB1 ) 2.80 2.80 0.00 
assign ( resid  15 and name   HN ) ( resid  16 and name   HN ) 2.80 2.80 0.00 
assign ( resid  16 and name   HN ) ( resid  16 and name   HA ) 2.80 2.80 0.00 
assign ( resid  17 and name  HD+ ) ( resid  13 and name   HA ) 5.00 5.00 0.00 
assign ( resid  17 and name  HE+ ) ( resid  15 and name   HA ) 5.00 5.00 0.00 
assign ( resid  17 and name  HE+ ) ( resid  15 and name  HG+ ) 5.00 5.00 0.00 
assign ( resid  17 and name   HN ) ( resid  15 and name   HA ) 5.00 5.00 0.00 
assign ( resid  17 and name   HN ) ( resid  15 and name  HB1 ) 5.00 5.00 0.00 
assign ( resid  17 and name   HN ) ( resid  16 and name   HA ) 3.40 3.40 0.00 
assign ( resid  17 and name   HN ) ( resid  16 and name  HB+ ) 3.40 3.40 0.00 
assign ( resid  16 and name   HN ) ( resid  17 and name   HN ) 3.40 3.40 0.00 
assign ( resid  17 and name   HN ) ( resid  17 and name   HA ) 2.80 2.80 0.00 
assign ( resid  17 and name   HN ) ( resid  17 and name  HB2 ) 5.00 5.00 0.00 
assign ( resid  17 and name   HN ) ( resid  17 and name  HB1 ) 3.40 3.40 0.00 
assign ( resid  17 and name   HN ) ( resid  17 and name  HD+ ) 5.00 5.00 0.00 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           1HT      MET   1 -14.940  -3.267   1.884
    2    H2   MET   1           2HT      MET   1 -15.632  -2.864   3.383
    3    H3   MET   1           3HT      MET   1 -15.125  -4.457   3.079
    4    HA   MET   1           HA       MET   1 -13.583  -3.112   4.522
    5    HB2  MET   1           2HB      MET   1 -11.638  -4.053   3.271
    6    HB3  MET   1           1HB      MET   1 -12.983  -5.189   3.363
    7    HG2  MET   1           2HG      MET   1 -12.958  -3.353   1.020
    8    HG3  MET   1           1HG      MET   1 -11.725  -4.613   1.046
    9    HE1  MET   1           3HE      MET   1 -14.740  -5.288  -1.334
   10    HE2  MET   1           1HE      MET   1 -13.886  -3.841  -0.781
   11    HE3  MET   1           2HE      MET   1 -15.528  -4.164  -0.231
   12    H    ALA   2           H        ALA   2 -11.868  -1.498   4.441
   13    HA   ALA   2           HA       ALA   2 -11.802   0.287   2.062
   14    HB1  ALA   2           1HB      ALA   2 -12.709   2.108   3.179
   15    HB2  ALA   2           2HB      ALA   2 -12.196   1.521   4.762
   16    HB3  ALA   2           3HB      ALA   2 -13.598   0.804   3.966
   17    H    THR   3           H        THR   3  -9.571  -0.366   1.875
   18    HA   THR   3           HA       THR   3  -7.713   1.187   3.492
   19    HB   THR   3           HB       THR   3  -8.247  -0.667   5.024
   20    HG1  THR   3           1HG      THR   3  -6.197  -0.232   5.343
   21   HG21  THR   3          3HG2      THR   3  -8.978  -2.328   3.403
   22   HG22  THR   3          1HG2      THR   3  -7.642  -2.994   4.342
   23   HG23  THR   3          2HG2      THR   3  -7.360  -2.404   2.703
   24    H    LEU   4           H        LEU   4  -8.274   0.944   0.696
   25    HA   LEU   4           HA       LEU   4  -6.470  -0.781  -0.678
   26    HB2  LEU   4           2HB      LEU   4  -6.931   0.818  -2.551
   27    HB3  LEU   4           1HB      LEU   4  -8.387   0.276  -1.725
   28    HG   LEU   4           HG       LEU   4  -7.801   2.498  -0.271
   29   HD11  LEU   4          1HD1      LEU   4  -7.289   3.467  -3.052
   30   HD12  LEU   4          2HD1      LEU   4  -5.933   2.782  -2.157
   31   HD13  LEU   4          3HD1      LEU   4  -6.803   4.175  -1.511
   32   HD21  LEU   4          3HD2      LEU   4  -9.467   3.643  -1.849
   33   HD22  LEU   4          1HD2      LEU   4  -9.989   2.116  -1.137
   34   HD23  LEU   4          2HD2      LEU   4  -9.417   2.161  -2.804
   35    H    GLU   5           H        GLU   5  -6.124   2.672   0.227
   36    HA   GLU   5           HA       GLU   5  -3.492   2.996  -0.809
   37    HB2  GLU   5           2HB      GLU   5  -5.287   4.669   0.153
   38    HB3  GLU   5           1HB      GLU   5  -4.475   4.362   1.688
   39    HG2  GLU   5           2HG      GLU   5  -2.913   5.875   1.107
   40    HG3  GLU   5           1HG      GLU   5  -2.417   4.799  -0.199
   41    H    LYS   6           H        LYS   6  -4.680   1.840   2.313
   42    HA   LYS   6           HA       LYS   6  -2.141   1.633   3.621
   43    HB2  LYS   6           2HB      LYS   6  -4.855   1.149   4.148
   44    HB3  LYS   6           1HB      LYS   6  -4.088  -0.430   4.310
   45    HG2  LYS   6           2HG      LYS   6  -2.536   1.728   5.554
   46    HG3  LYS   6           1HG      LYS   6  -4.139   1.535   6.263
   47    HD2  LYS   6           2HD      LYS   6  -3.173  -1.085   5.908
   48    HD3  LYS   6           1HD      LYS   6  -1.805  -0.167   6.538
   49    HE2  LYS   6           2HE      LYS   6  -3.067   0.552   8.465
   50    HE3  LYS   6           1HE      LYS   6  -4.574  -0.097   7.785
   51    HZ1  LYS   6           3HZ      LYS   6  -3.690  -1.718   9.281
   52    HZ2  LYS   6           1HZ      LYS   6  -2.155  -1.636   8.564
   53    HZ3  LYS   6           2HZ      LYS   6  -3.460  -2.297   7.701
   54    H    LEU   7           H        LEU   7  -3.522  -0.090   0.980
   55    HA   LEU   7           HA       LEU   7  -1.830  -2.470   1.450
   56    HB2  LEU   7           2HB      LEU   7  -3.488  -3.565   0.327
   57    HB3  LEU   7           1HB      LEU   7  -4.421  -2.100   0.606
   58    HG   LEU   7           HG       LEU   7  -3.288  -1.278  -1.613
   59   HD11  LEU   7          1HD1      LEU   7  -3.361  -4.130  -2.423
   60   HD12  LEU   7          2HD1      LEU   7  -1.979  -3.645  -1.441
   61   HD13  LEU   7          3HD1      LEU   7  -2.301  -2.831  -2.972
   62   HD21  LEU   7          3HD2      LEU   7  -5.156  -3.263  -2.529
   63   HD22  LEU   7          1HD2      LEU   7  -5.412  -1.530  -2.322
   64   HD23  LEU   7          2HD2      LEU   7  -5.712  -2.632  -0.978
   65    H    MET   8           H        MET   8  -2.131   0.359  -0.582
   66    HA   MET   8           HA       MET   8  -0.166  -0.570  -2.548
   67    HB2  MET   8           2HB      MET   8  -2.313   1.119  -2.574
   68    HB3  MET   8           1HB      MET   8  -0.985   2.270  -2.422
   69    HG2  MET   8           2HG      MET   8   0.060   1.470  -4.420
   70    HG3  MET   8           1HG      MET   8  -0.995   0.059  -4.487
   71    HE1  MET   8           3HE      MET   8  -1.581   0.069  -6.448
   72    HE2  MET   8           1HE      MET   8  -2.304   1.311  -7.481
   73    HE3  MET   8           2HE      MET   8  -3.321   0.347  -6.412
   74    H    LYS   9           H        LYS   9  -0.365   1.908   0.017
   75    HA   LYS   9           HA       LYS   9   2.166   3.106  -0.276
   76    HB2  LYS   9           2HB      LYS   9   0.035   3.006   1.591
   77    HB3  LYS   9           1HB      LYS   9   1.504   2.674   2.508
   78    HG2  LYS   9           2HG      LYS   9   1.283   5.047   2.511
   79    HG3  LYS   9           1HG      LYS   9   2.530   4.694   1.316
   80    HD2  LYS   9           2HD      LYS   9   0.139   4.556  -0.129
   81    HD3  LYS   9           1HD      LYS   9  -0.080   5.940   0.943
   82    HE2  LYS   9           2HE      LYS   9   2.280   6.680   0.183
   83    HE3  LYS   9           1HE      LYS   9   2.075   5.508  -1.134
   84    HZ1  LYS   9           3HZ      LYS   9  -0.149   6.554  -1.525
   85    HZ2  LYS   9           1HZ      LYS   9   1.173   7.548  -1.898
   86    HZ3  LYS   9           2HZ      LYS   9   0.307   7.793  -0.456
   87    H    ALA  10           H        ALA  10   1.339  -0.072   0.939
   88    HA   ALA  10           HA       ALA  10   3.876  -0.578   2.255
   89    HB1  ALA  10           1HB      ALA  10   1.599  -1.630   2.700
   90    HB2  ALA  10           2HB      ALA  10   2.938  -2.770   2.563
   91    HB3  ALA  10           3HB      ALA  10   1.829  -2.545   1.211
   92    H    PHE  11           H        PHE  11   2.592  -0.976  -0.997
   93    HA   PHE  11           HA       PHE  11   4.751  -2.752  -1.862
   94    HB2  PHE  11           2HB      PHE  11   2.660  -1.159  -3.376
   95    HB3  PHE  11           1HB      PHE  11   3.619  -2.479  -4.039
   96    HD1  PHE  11           2HD      PHE  11   3.268  -3.718  -0.926
   97    HD2  PHE  11           1HD      PHE  11   0.753  -2.679  -4.253
   98    HE1  PHE  11           2HE      PHE  11   1.559  -5.328  -0.138
   99    HE2  PHE  11           1HE      PHE  11  -0.952  -4.293  -3.464
  100    HZ   PHE  11           HZ       PHE  11  -0.551  -5.619  -1.408
  101    H    GLU  12           H        GLU  12   4.589   0.529  -1.202
  102    HA   GLU  12           HA       GLU  12   6.870   1.079  -3.075
  103    HB2  GLU  12           2HB      GLU  12   4.208   2.210  -2.923
  104    HB3  GLU  12           1HB      GLU  12   5.418   3.461  -2.636
  105    HG2  GLU  12           2HG      GLU  12   6.624   2.653  -4.704
  106    HG3  GLU  12           1HG      GLU  12   5.241   1.607  -5.026
  107    H    SER  13           H        SER  13   5.180   2.003  -0.087
  108    HA   SER  13           HA       SER  13   7.415   3.667   0.808
  109    HB2  SER  13           2HB      SER  13   4.785   3.843   1.136
  110    HB3  SER  13           1HB      SER  13   5.130   2.848   2.548
  111    HG   SER  13           HG       SER  13   6.746   4.459   3.082
  112    H    LEU  14           H        LEU  14   6.333   0.394   1.247
  113    HA   LEU  14           HA       LEU  14   7.445  -0.240   3.775
  114    HB2  LEU  14           2HB      LEU  14   5.995  -1.706   2.430
  115    HB3  LEU  14           1HB      LEU  14   7.277  -1.889   1.233
  116    HG   LEU  14           HG       LEU  14   8.733  -2.781   3.136
  117   HD11  LEU  14          1HD1      LEU  14   7.832  -3.217   5.207
  118   HD12  LEU  14          2HD1      LEU  14   6.216  -3.498   4.560
  119   HD13  LEU  14          3HD1      LEU  14   6.809  -1.850   4.769
  120   HD21  LEU  14          3HD2      LEU  14   8.025  -4.438   1.655
  121   HD22  LEU  14          1HD2      LEU  14   6.318  -4.147   1.988
  122   HD23  LEU  14          2HD2      LEU  14   7.313  -5.006   3.165
  123    H    LYS  15           H        LYS  15   9.011  -1.081   0.662
  124    HA   LYS  15           HA       LYS  15  11.655  -0.493   1.957
  125    HB2  LYS  15           2HB      LYS  15  10.896  -2.922   1.541
  126    HB3  LYS  15           1HB      LYS  15  11.117  -2.567  -0.173
  127    HG2  LYS  15           2HG      LYS  15  13.464  -1.663   0.635
  128    HG3  LYS  15           1HG      LYS  15  13.168  -2.730   2.008
  129    HD2  LYS  15           2HD      LYS  15  12.628  -4.544   0.277
  130    HD3  LYS  15           1HD      LYS  15  13.351  -3.465  -0.916
  131    HE2  LYS  15           2HE      LYS  15  14.859  -4.113   1.615
  132    HE3  LYS  15           1HE      LYS  15  14.895  -5.237   0.241
  133    HZ1  LYS  15           3HZ      LYS  15  15.447  -2.324   0.043
  134    HZ2  LYS  15           1HZ      LYS  15  15.587  -3.469  -1.201
  135    HZ3  LYS  15           2HZ      LYS  15  16.651  -3.521   0.123
  136    H    SER  16           H        SER  16   9.671  -0.295  -0.950
  137    HA   SER  16           HA       SER  16  11.668   0.570  -2.794
  138    HB2  SER  16           2HB      SER  16   8.732   0.500  -2.534
  139    HB3  SER  16           1HB      SER  16   9.336   1.747  -3.620
  140    HG   SER  16           HG       SER  16  10.581   0.068  -4.636
  141    H    PHE  17           H        PHE  17  10.288   2.190  -0.090
  142    HA   PHE  17           HA       PHE  17  10.193   4.887  -0.885
  143    HB2  PHE  17           2HB      PHE  17  10.441   5.341   1.485
  144    HB3  PHE  17           1HB      PHE  17   9.526   3.846   1.313
  145    HD1  PHE  17           1HD      PHE  17  12.907   5.236   2.015
  146    HD2  PHE  17           2HD      PHE  17  10.369   1.773   2.153
  147    HE1  PHE  17           1HE      PHE  17  14.602   4.049   3.380
  148    HE2  PHE  17           2HE      PHE  17  12.066   0.586   3.519
  149    HZ   PHE  17           HZ       PHE  17  14.181   1.723   4.132
  150    HN1  NH2  18           2H       PHE  17  14.202   4.078  -0.584
  151    HN2  NH2  18           1H       PHE  17  13.054   2.878  -0.229
  Start of MODEL    2
    1    H1   MET   1           1HT      MET   1 -11.975   2.097   7.824
    2    H2   MET   1           2HT      MET   1 -13.068   0.798   7.805
    3    H3   MET   1           3HT      MET   1 -13.513   2.275   8.517
    4    HA   MET   1           HA       MET   1 -14.591   2.259   6.430
    5    HB2  MET   1           2HB      MET   1 -12.139   3.888   6.879
    6    HB3  MET   1           1HB      MET   1 -12.858   3.982   5.271
    7    HG2  MET   1           2HG      MET   1 -15.101   4.226   6.715
    8    HG3  MET   1           1HG      MET   1 -13.961   4.869   7.897
    9    HE1  MET   1           3HE      MET   1 -13.524   7.771   7.715
   10    HE2  MET   1           1HE      MET   1 -14.913   6.759   8.135
   11    HE3  MET   1           2HE      MET   1 -15.111   8.123   7.037
   12    H    ALA   2           H        ALA   2 -11.117   2.194   5.561
   13    HA   ALA   2           HA       ALA   2 -11.412  -0.233   3.950
   14    HB1  ALA   2           1HB      ALA   2 -12.558   1.588   2.645
   15    HB2  ALA   2           2HB      ALA   2 -11.183   0.883   1.796
   16    HB3  ALA   2           3HB      ALA   2 -11.021   2.451   2.588
   17    H    THR   3           H        THR   3  -9.396  -1.164   3.805
   18    HA   THR   3           HA       THR   3  -7.029   0.533   4.494
   19    HB   THR   3           HB       THR   3  -7.354  -2.483   4.535
   20    HG1  THR   3           1HG      THR   3  -7.740  -2.172   6.758
   21   HG21  THR   3          3HG2      THR   3  -5.321  -0.539   5.629
   22   HG22  THR   3          1HG2      THR   3  -5.048  -1.931   4.581
   23   HG23  THR   3          2HG2      THR   3  -5.483  -2.172   6.274
   24    H    LEU   4           H        LEU   4  -7.997   0.650   1.828
   25    HA   LEU   4           HA       LEU   4  -6.507  -1.212   0.154
   26    HB2  LEU   4           2HB      LEU   4  -8.127   1.306  -0.280
   27    HB3  LEU   4           1HB      LEU   4  -7.334   0.467  -1.615
   28    HG   LEU   4           HG       LEU   4  -9.079  -1.076   0.284
   29   HD11  LEU   4          1HD1      LEU   4  -9.967   0.702  -1.996
   30   HD12  LEU   4          2HD1      LEU   4 -10.564   0.687  -0.336
   31   HD13  LEU   4          3HD1      LEU   4 -10.940  -0.652  -1.421
   32   HD21  LEU   4          3HD2      LEU   4  -7.555  -2.061  -1.559
   33   HD22  LEU   4          1HD2      LEU   4  -8.719  -1.386  -2.700
   34   HD23  LEU   4          2HD2      LEU   4  -9.235  -2.600  -1.529
   35    H    GLU   5           H        GLU   5  -6.275   2.328   0.746
   36    HA   GLU   5           HA       GLU   5  -3.855   2.743  -0.672
   37    HB2  GLU   5           2HB      GLU   5  -5.537   4.092   1.310
   38    HB3  GLU   5           1HB      GLU   5  -3.830   4.489   1.513
   39    HG2  GLU   5           2HG      GLU   5  -4.634   6.094  -0.040
   40    HG3  GLU   5           1HG      GLU   5  -3.800   4.896  -1.029
   41    H    LYS   6           H        LYS   6  -4.447   1.599   2.616
   42    HA   LYS   6           HA       LYS   6  -1.728   1.654   3.527
   43    HB2  LYS   6           2HB      LYS   6  -4.342   0.666   4.340
   44    HB3  LYS   6           1HB      LYS   6  -3.084  -0.505   4.732
   45    HG2  LYS   6           2HG      LYS   6  -1.901   1.038   6.077
   46    HG3  LYS   6           1HG      LYS   6  -2.755   2.421   5.390
   47    HD2  LYS   6           2HD      LYS   6  -4.891   1.340   6.377
   48    HD3  LYS   6           1HD      LYS   6  -3.783   0.367   7.346
   49    HE2  LYS   6           2HE      LYS   6  -2.673   2.649   7.964
   50    HE3  LYS   6           1HE      LYS   6  -4.202   3.353   7.401
   51    HZ1  LYS   6           3HZ      LYS   6  -4.224   2.727   9.789
   52    HZ2  LYS   6           1HZ      LYS   6  -4.017   1.106   9.335
   53    HZ3  LYS   6           2HZ      LYS   6  -5.421   1.943   8.872
   54    H    LEU   7           H        LEU   7  -3.343  -0.255   1.170
   55    HA   LEU   7           HA       LEU   7  -1.436  -2.497   1.406
   56    HB2  LEU   7           2HB      LEU   7  -3.128  -3.705   0.451
   57    HB3  LEU   7           1HB      LEU   7  -4.121  -2.330   0.915
   58    HG   LEU   7           HG       LEU   7  -3.358  -1.366  -1.419
   59   HD11  LEU   7          1HD1      LEU   7  -2.490  -4.192  -1.467
   60   HD12  LEU   7          2HD1      LEU   7  -1.932  -2.825  -2.431
   61   HD13  LEU   7          3HD1      LEU   7  -3.413  -3.671  -2.877
   62   HD21  LEU   7          3HD2      LEU   7  -5.546  -3.079  -0.540
   63   HD22  LEU   7          1HD2      LEU   7  -5.243  -3.253  -2.268
   64   HD23  LEU   7          2HD2      LEU   7  -5.591  -1.664  -1.590
   65    H    MET   8           H        MET   8  -2.161   0.294  -0.568
   66    HA   MET   8           HA       MET   8  -0.411  -0.518  -2.771
   67    HB2  MET   8           2HB      MET   8  -2.625   0.938  -2.677
   68    HB3  MET   8           1HB      MET   8  -1.490   2.247  -2.346
   69    HG2  MET   8           2HG      MET   8  -1.490   2.335  -4.653
   70    HG3  MET   8           1HG      MET   8  -0.202   1.154  -4.416
   71    HE1  MET   8           3HE      MET   8  -2.821   2.040  -6.489
   72    HE2  MET   8           1HE      MET   8  -4.007   1.711  -5.220
   73    HE3  MET   8           2HE      MET   8  -3.988   0.735  -6.687
   74    H    LYS   9           H        LYS   9  -0.469   2.282  -0.531
   75    HA   LYS   9           HA       LYS   9   2.132   3.253  -1.067
   76    HB2  LYS   9           2HB      LYS   9   0.018   3.531   0.926
   77    HB3  LYS   9           1HB      LYS   9   1.617   3.724   1.645
   78    HG2  LYS   9           2HG      LYS   9   1.400   5.876   0.913
   79    HG3  LYS   9           1HG      LYS   9   1.929   5.189  -0.624
   80    HD2  LYS   9           2HD      LYS   9  -0.971   4.961  -0.074
   81    HD3  LYS   9           1HD      LYS   9  -0.380   6.604  -0.319
   82    HE2  LYS   9           2HE      LYS   9   0.485   4.445  -2.230
   83    HE3  LYS   9           1HE      LYS   9  -1.116   5.191  -2.416
   84    HZ1  LYS   9           3HZ      LYS   9   0.032   7.383  -2.195
   85    HZ2  LYS   9           1HZ      LYS   9   0.413   6.536  -3.614
   86    HZ3  LYS   9           2HZ      LYS   9   1.515   6.564  -2.321
   87    H    ALA  10           H        ALA  10   1.146   0.429   0.715
   88    HA   ALA  10           HA       ALA  10   3.518   0.142   2.337
   89    HB1  ALA  10           1HB      ALA  10   2.545  -2.326   2.243
   90    HB2  ALA  10           2HB      ALA  10   1.181  -1.522   1.467
   91    HB3  ALA  10           3HB      ALA  10   1.667  -1.056   3.097
   92    H    PHE  11           H        PHE  11   2.451  -1.361  -0.733
   93    HA   PHE  11           HA       PHE  11   4.774  -2.952  -1.164
   94    HB2  PHE  11           2HB      PHE  11   2.907  -1.635  -3.157
   95    HB3  PHE  11           1HB      PHE  11   3.884  -3.071  -3.444
   96    HD1  PHE  11           2HD      PHE  11   3.213  -3.854  -0.301
   97    HD2  PHE  11           1HD      PHE  11   0.968  -3.107  -3.889
   98    HE1  PHE  11           2HE      PHE  11   1.363  -5.256   0.563
   99    HE2  PHE  11           1HE      PHE  11  -0.878  -4.513  -3.025
  100    HZ   PHE  11           HZ       PHE  11  -0.682  -5.589  -0.799
  101    H    GLU  12           H        GLU  12   4.312   0.469  -1.414
  102    HA   GLU  12           HA       GLU  12   6.785   0.736  -3.082
  103    HB2  GLU  12           2HB      GLU  12   4.186   1.996  -2.988
  104    HB3  GLU  12           1HB      GLU  12   5.441   3.210  -2.738
  105    HG2  GLU  12           2HG      GLU  12   6.631   2.138  -4.759
  106    HG3  GLU  12           1HG      GLU  12   5.089   1.344  -5.084
  107    H    SER  13           H        SER  13   5.185   1.965  -0.139
  108    HA   SER  13           HA       SER  13   7.607   3.432   0.646
  109    HB2  SER  13           2HB      SER  13   5.111   4.128   0.842
  110    HB3  SER  13           1HB      SER  13   5.093   3.082   2.259
  111    HG   SER  13           HG       SER  13   6.373   4.440   3.289
  112    H    LEU  14           H        LEU  14   6.134   0.364   1.321
  113    HA   LEU  14           HA       LEU  14   7.589   0.046   3.861
  114    HB2  LEU  14           2HB      LEU  14   5.178  -0.805   2.966
  115    HB3  LEU  14           1HB      LEU  14   6.160  -2.220   2.587
  116    HG   LEU  14           HG       LEU  14   6.556  -0.995   5.272
  117   HD11  LEU  14          1HD1      LEU  14   4.084  -0.977   4.970
  118   HD12  LEU  14          2HD1      LEU  14   4.596  -2.137   6.196
  119   HD13  LEU  14          3HD1      LEU  14   4.139  -2.698   4.588
  120   HD21  LEU  14          3HD2      LEU  14   6.409  -3.798   4.126
  121   HD22  LEU  14          1HD2      LEU  14   6.630  -3.463   5.843
  122   HD23  LEU  14          2HD2      LEU  14   7.850  -2.944   4.681
  123    H    LYS  15           H        LYS  15   9.124   0.325   1.323
  124    HA   LYS  15           HA       LYS  15  10.086  -2.208   0.406
  125    HB2  LYS  15           2HB      LYS  15  10.396   0.439  -0.233
  126    HB3  LYS  15           1HB      LYS  15  11.971   0.053   0.459
  127    HG2  LYS  15           2HG      LYS  15  12.518  -1.384  -1.235
  128    HG3  LYS  15           1HG      LYS  15  10.858  -1.946  -1.433
  129    HD2  LYS  15           2HD      LYS  15  10.333  -0.298  -2.934
  130    HD3  LYS  15           1HD      LYS  15  11.371   0.891  -2.149
  131    HE2  LYS  15           2HE      LYS  15  12.643  -1.451  -3.547
  132    HE3  LYS  15           1HE      LYS  15  12.080  -0.063  -4.500
  133    HZ1  LYS  15           3HZ      LYS  15  13.365   1.414  -3.188
  134    HZ2  LYS  15           1HZ      LYS  15  14.403   0.144  -3.620
  135    HZ3  LYS  15           2HZ      LYS  15  13.743   0.205  -2.056
  136    H    SER  16           H        SER  16  11.312   0.037   2.854
  137    HA   SER  16           HA       SER  16  12.222  -1.860   4.729
  138    HB2  SER  16           2HB      SER  16  13.938  -1.444   2.359
  139    HB3  SER  16           1HB      SER  16  14.787  -1.295   3.895
  140    HG   SER  16           HG       SER  16  13.262  -3.476   2.917
  141    H    PHE  17           H        PHE  17  12.839   1.149   3.074
  142    HA   PHE  17           HA       PHE  17  14.163   2.511   5.252
  143    HB2  PHE  17           2HB      PHE  17  13.474   4.536   3.795
  144    HB3  PHE  17           1HB      PHE  17  14.522   3.330   3.051
  145    HD1  PHE  17           1HD      PHE  17  10.867   4.089   3.516
  146    HD2  PHE  17           2HD      PHE  17  13.921   2.430   0.989
  147    HE1  PHE  17           1HE      PHE  17   9.188   3.693   1.736
  148    HE2  PHE  17           2HE      PHE  17  12.240   2.035  -0.787
  149    HZ   PHE  17           HZ       PHE  17   9.875   2.673  -0.413
  150    HN1  NH2  18           2H       PHE  17  11.365   4.523   6.564
  151    HN2  NH2  18           1H       PHE  17  12.926   4.770   5.946
  Start of MODEL    3
    1    H1   MET   1           1HT      MET   1 -15.465   2.437   6.377
    2    H2   MET   1           2HT      MET   1 -14.489   3.399   5.373
    3    H3   MET   1           3HT      MET   1 -15.045   4.008   6.858
    4    HA   MET   1           HA       MET   1 -12.761   3.404   7.150
    5    HB2  MET   1           2HB      MET   1 -14.877   1.563   8.287
    6    HB3  MET   1           1HB      MET   1 -13.210   1.542   8.863
    7    HG2  MET   1           2HG      MET   1 -13.601   4.167   9.030
    8    HG3  MET   1           1HG      MET   1 -15.290   3.674   9.149
    9    HE1  MET   1           3HE      MET   1 -13.322   4.534  12.649
   10    HE2  MET   1           1HE      MET   1 -14.721   5.090  11.719
   11    HE3  MET   1           2HE      MET   1 -13.111   5.129  11.004
   12    H    ALA   2           H        ALA   2 -11.176   2.384   5.999
   13    HA   ALA   2           HA       ALA   2 -11.419  -0.489   5.357
   14    HB1  ALA   2           1HB      ALA   2 -11.020   1.588   3.183
   15    HB2  ALA   2           2HB      ALA   2 -12.582   0.854   3.549
   16    HB3  ALA   2           3HB      ALA   2 -11.252  -0.147   2.968
   17    H    THR   3           H        THR   3  -9.292  -0.560   3.488
   18    HA   THR   3           HA       THR   3  -7.005   0.934   4.572
   19    HB   THR   3           HB       THR   3  -7.380  -0.835   6.249
   20    HG1  THR   3           1HG      THR   3  -5.188  -1.460   4.565
   21   HG21  THR   3          3HG2      THR   3  -6.680  -3.035   4.413
   22   HG22  THR   3          1HG2      THR   3  -8.278  -2.337   4.142
   23   HG23  THR   3          2HG2      THR   3  -7.859  -2.993   5.724
   24    H    LEU   4           H        LEU   4  -8.058   0.791   1.952
   25    HA   LEU   4           HA       LEU   4  -6.631  -1.169   0.358
   26    HB2  LEU   4           2HB      LEU   4  -8.345   1.254  -0.073
   27    HB3  LEU   4           1HB      LEU   4  -7.423   0.621  -1.437
   28    HG   LEU   4           HG       LEU   4  -8.417  -1.637  -0.987
   29   HD11  LEU   4          1HD1      LEU   4 -10.637  -1.362   0.425
   30   HD12  LEU   4          2HD1      LEU   4  -9.746  -0.036   1.172
   31   HD13  LEU   4          3HD1      LEU   4  -9.102  -1.677   1.235
   32   HD21  LEU   4          3HD2      LEU   4 -10.323  -1.175  -2.236
   33   HD22  LEU   4          1HD2      LEU   4  -9.406   0.310  -2.495
   34   HD23  LEU   4          2HD2      LEU   4 -10.705   0.273  -1.304
   35    H    GLU   5           H        GLU   5  -6.297   2.403   0.660
   36    HA   GLU   5           HA       GLU   5  -3.891   2.623  -0.826
   37    HB2  GLU   5           2HB      GLU   5  -5.458   4.183   1.127
   38    HB3  GLU   5           1HB      GLU   5  -3.740   4.584   1.118
   39    HG2  GLU   5           2HG      GLU   5  -5.258   4.352  -1.471
   40    HG3  GLU   5           1HG      GLU   5  -5.319   5.844  -0.532
   41    H    LYS   6           H        LYS   6  -4.463   1.776   2.549
   42    HA   LYS   6           HA       LYS   6  -1.745   1.849   3.444
   43    HB2  LYS   6           2HB      LYS   6  -4.295   0.449   4.231
   44    HB3  LYS   6           1HB      LYS   6  -2.789   0.058   5.063
   45    HG2  LYS   6           2HG      LYS   6  -3.382   2.949   4.719
   46    HG3  LYS   6           1HG      LYS   6  -4.415   2.072   5.847
   47    HD2  LYS   6           2HD      LYS   6  -1.560   1.425   6.126
   48    HD3  LYS   6           1HD      LYS   6  -1.935   3.114   6.460
   49    HE2  LYS   6           2HE      LYS   6  -3.724   1.020   7.649
   50    HE3  LYS   6           1HE      LYS   6  -2.137   1.302   8.393
   51    HZ1  LYS   6           3HZ      LYS   6  -2.597   3.601   8.611
   52    HZ2  LYS   6           1HZ      LYS   6  -3.958   2.792   9.216
   53    HZ3  LYS   6           2HZ      LYS   6  -4.007   3.490   7.669
   54    H    LEU   7           H        LEU   7  -3.424  -0.219   1.258
   55    HA   LEU   7           HA       LEU   7  -1.557  -2.469   1.621
   56    HB2  LEU   7           2HB      LEU   7  -3.260  -3.685   0.684
   57    HB3  LEU   7           1HB      LEU   7  -4.226  -2.265   1.067
   58    HG   LEU   7           HG       LEU   7  -3.402  -1.426  -1.292
   59   HD11  LEU   7          1HD1      LEU   7  -2.057  -3.810  -1.237
   60   HD12  LEU   7          2HD1      LEU   7  -2.501  -2.958  -2.715
   61   HD13  LEU   7          3HD1      LEU   7  -3.522  -4.261  -2.108
   62   HD21  LEU   7          3HD2      LEU   7  -5.607  -3.208  -0.451
   63   HD22  LEU   7          1HD2      LEU   7  -5.316  -3.161  -2.190
   64   HD23  LEU   7          2HD2      LEU   7  -5.670  -1.672  -1.314
   65    H    MET   8           H        MET   8  -2.208   0.213  -0.532
   66    HA   MET   8           HA       MET   8  -0.386  -0.735  -2.623
   67    HB2  MET   8           2HB      MET   8  -2.586   0.619  -2.834
   68    HB3  MET   8           1HB      MET   8  -1.620   2.004  -2.325
   69    HG2  MET   8           2HG      MET   8  -0.412   2.060  -4.280
   70    HG3  MET   8           1HG      MET   8  -0.499   0.314  -4.507
   71    HE1  MET   8           3HE      MET   8  -1.394  -0.158  -6.846
   72    HE2  MET   8           1HE      MET   8  -3.155  -0.335  -6.851
   73    HE3  MET   8           2HE      MET   8  -2.205  -0.968  -5.508
   74    H    LYS   9           H        LYS   9  -0.537   2.077  -0.410
   75    HA   LYS   9           HA       LYS   9   1.997   3.194  -0.954
   76    HB2  LYS   9           2HB      LYS   9  -0.127   3.461   0.908
   77    HB3  LYS   9           1HB      LYS   9   1.348   3.309   1.863
   78    HG2  LYS   9           2HG      LYS   9   1.152   5.634   1.422
   79    HG3  LYS   9           1HG      LYS   9   2.359   5.057   0.272
   80    HD2  LYS   9           2HD      LYS   9  -0.002   4.657  -1.102
   81    HD3  LYS   9           1HD      LYS   9  -0.322   6.154  -0.226
   82    HE2  LYS   9           2HE      LYS   9   1.188   7.340  -1.467
   83    HE3  LYS   9           1HE      LYS   9   2.356   6.004  -1.488
   84    HZ1  LYS   9           3HZ      LYS   9   1.435   6.265  -3.680
   85    HZ2  LYS   9           1HZ      LYS   9  -0.148   6.193  -3.078
   86    HZ3  LYS   9           2HZ      LYS   9   0.848   4.818  -3.013
   87    H    ALA  10           H        ALA  10   1.191   0.278   0.798
   88    HA   ALA  10           HA       ALA  10   3.650   0.033   2.287
   89    HB1  ALA  10           1HB      ALA  10   2.833  -2.390   2.381
   90    HB2  ALA  10           2HB      ALA  10   1.498  -1.880   1.347
   91    HB3  ALA  10           3HB      ALA  10   1.684  -1.180   2.955
   92    H    PHE  11           H        PHE  11   2.524  -1.402  -0.798
   93    HA   PHE  11           HA       PHE  11   4.864  -2.896  -1.378
   94    HB2  PHE  11           2HB      PHE  11   2.963  -1.491  -3.274
   95    HB3  PHE  11           1HB      PHE  11   3.932  -2.914  -3.637
   96    HD1  PHE  11           1HD      PHE  11   3.389  -3.996  -0.637
   97    HD2  PHE  11           2HD      PHE  11   0.925  -2.756  -3.932
   98    HE1  PHE  11           1HE      PHE  11   1.549  -5.429   0.199
   99    HE2  PHE  11           2HE      PHE  11  -0.913  -4.191  -3.095
  100    HZ   PHE  11           HZ       PHE  11  -0.602  -5.528  -1.030
  101    H    GLU  12           H        GLU  12   4.333   0.523  -1.447
  102    HA   GLU  12           HA       GLU  12   6.794   0.928  -3.108
  103    HB2  GLU  12           2HB      GLU  12   4.173   2.152  -2.876
  104    HB3  GLU  12           1HB      GLU  12   5.440   3.355  -2.645
  105    HG2  GLU  12           2HG      GLU  12   5.847   1.437  -4.877
  106    HG3  GLU  12           1HG      GLU  12   4.554   2.618  -5.088
  107    H    SER  13           H        SER  13   5.155   2.022  -0.137
  108    HA   SER  13           HA       SER  13   7.413   3.613   0.748
  109    HB2  SER  13           2HB      SER  13   4.953   3.974   1.233
  110    HB3  SER  13           1HB      SER  13   5.046   2.598   2.329
  111    HG   SER  13           HG       SER  13   6.244   3.742   3.683
  112    H    LEU  14           H        LEU  14   6.319   0.328   1.297
  113    HA   LEU  14           HA       LEU  14   7.677  -0.331   3.681
  114    HB2  LEU  14           2HB      LEU  14   6.120  -1.792   2.442
  115    HB3  LEU  14           1HB      LEU  14   7.316  -1.982   1.160
  116    HG   LEU  14           HG       LEU  14   8.836  -2.704   3.260
  117   HD11  LEU  14          1HD1      LEU  14   6.230  -3.950   4.046
  118   HD12  LEU  14          2HD1      LEU  14   6.589  -2.324   4.625
  119   HD13  LEU  14          3HD1      LEU  14   7.671  -3.660   5.021
  120   HD21  LEU  14          3HD2      LEU  14   7.016  -4.195   1.426
  121   HD22  LEU  14          1HD2      LEU  14   7.747  -5.103   2.749
  122   HD23  LEU  14          2HD2      LEU  14   8.771  -4.276   1.576
  123    H    LYS  15           H        LYS  15   8.981  -1.137   0.439
  124    HA   LYS  15           HA       LYS  15  11.693  -0.323   1.403
  125    HB2  LYS  15           2HB      LYS  15  11.063  -2.816   1.673
  126    HB3  LYS  15           1HB      LYS  15  11.169  -2.895  -0.086
  127    HG2  LYS  15           2HG      LYS  15  13.465  -1.499   1.008
  128    HG3  LYS  15           1HG      LYS  15  13.301  -3.094   1.743
  129    HD2  LYS  15           2HD      LYS  15  13.019  -4.022  -0.608
  130    HD3  LYS  15           1HD      LYS  15  13.507  -2.435  -1.204
  131    HE2  LYS  15           2HE      LYS  15  15.477  -2.926   0.638
  132    HE3  LYS  15           1HE      LYS  15  15.155  -4.559   0.023
  133    HZ1  LYS  15           3HZ      LYS  15  15.773  -2.125  -1.561
  134    HZ2  LYS  15           1HZ      LYS  15  15.184  -3.559  -2.251
  135    HZ3  LYS  15           2HZ      LYS  15  16.690  -3.552  -1.464
  136    H    SER  16           H        SER  16   9.512  -0.983  -1.291
  137    HA   SER  16           HA       SER  16  11.271  -0.590  -3.473
  138    HB2  SER  16           2HB      SER  16   8.348  -0.303  -2.923
  139    HB3  SER  16           1HB      SER  16   8.965   0.310  -4.454
  140    HG   SER  16           HG       SER  16   9.814  -1.744  -4.867
  141    H    PHE  17           H        PHE  17  10.157   1.703  -1.144
  142    HA   PHE  17           HA       PHE  17  10.008   4.114  -2.573
  143    HB2  PHE  17           2HB      PHE  17  10.492   5.141  -0.434
  144    HB3  PHE  17           1HB      PHE  17   9.583   3.666  -0.121
  145    HD1  PHE  17           1HD      PHE  17  13.011   5.121  -0.177
  146    HD2  PHE  17           2HD      PHE  17  10.524   1.879   1.149
  147    HE1  PHE  17           1HE      PHE  17  14.855   4.297   1.262
  148    HE2  PHE  17           2HE      PHE  17  12.370   1.056   2.588
  149    HZ   PHE  17           HZ       PHE  17  14.534   2.264   2.644
  150    HN1  NH2  18           2H       PHE  17  13.369   5.400  -3.007
  151    HN2  NH2  18           1H       PHE  17  11.791   5.889  -2.616
  Start of MODEL    4
    1    H1   MET   1           1HT      MET   1 -14.921   2.515   5.692
    2    H2   MET   1           2HT      MET   1 -13.431   3.258   6.035
    3    H3   MET   1           3HT      MET   1 -14.645   3.193   7.222
    4    HA   MET   1           HA       MET   1 -12.973   1.537   7.722
    5    HB2  MET   1           2HB      MET   1 -15.669   1.300   7.675
    6    HB3  MET   1           1HB      MET   1 -15.241  -0.047   6.621
    7    HG2  MET   1           2HG      MET   1 -13.902  -1.072   8.310
    8    HG3  MET   1           1HG      MET   1 -13.932   0.378   9.313
    9    HE1  MET   1           3HE      MET   1 -14.550  -2.198  10.774
   10    HE2  MET   1           1HE      MET   1 -15.976  -1.683  11.685
   11    HE3  MET   1           2HE      MET   1 -14.649  -0.558  11.407
   12    H    ALA   2           H        ALA   2 -11.559   2.013   5.609
   13    HA   ALA   2           HA       ALA   2 -11.445  -0.556   4.096
   14    HB1  ALA   2           1HB      ALA   2 -10.976   1.928   2.547
   15    HB2  ALA   2           2HB      ALA   2 -12.639   1.672   3.072
   16    HB3  ALA   2           3HB      ALA   2 -11.832   0.459   2.079
   17    H    THR   3           H        THR   3  -9.315  -1.123   3.500
   18    HA   THR   3           HA       THR   3  -7.149   0.766   4.367
   19    HB   THR   3           HB       THR   3  -7.474  -1.099   5.936
   20    HG1  THR   3           1HG      THR   3  -5.226  -1.622   4.297
   21   HG21  THR   3          3HG2      THR   3  -8.562  -2.728   4.554
   22   HG22  THR   3          1HG2      THR   3  -7.027  -3.441   5.057
   23   HG23  THR   3          2HG2      THR   3  -7.200  -2.775   3.433
   24    H    LEU   4           H        LEU   4  -8.103   0.711   1.706
   25    HA   LEU   4           HA       LEU   4  -6.565  -1.086   0.045
   26    HB2  LEU   4           2HB      LEU   4  -8.482   1.120  -0.195
   27    HB3  LEU   4           1HB      LEU   4  -7.272   1.135  -1.478
   28    HG   LEU   4           HG       LEU   4  -8.402  -1.528  -0.839
   29   HD11  LEU   4          1HD1      LEU   4 -10.260   0.431  -0.853
   30   HD12  LEU   4          2HD1      LEU   4 -10.566  -1.175  -1.515
   31   HD13  LEU   4          3HD1      LEU   4 -10.123   0.153  -2.589
   32   HD21  LEU   4          3HD2      LEU   4  -8.428  -0.349  -3.567
   33   HD22  LEU   4          1HD2      LEU   4  -7.860  -1.930  -3.030
   34   HD23  LEU   4          2HD2      LEU   4  -6.843  -0.505  -2.812
   35    H    GLU   5           H        GLU   5  -6.250   2.444   0.674
   36    HA   GLU   5           HA       GLU   5  -3.794   2.804  -0.692
   37    HB2  GLU   5           2HB      GLU   5  -5.550   4.378   0.640
   38    HB3  GLU   5           1HB      GLU   5  -4.275   4.282   1.854
   39    HG2  GLU   5           2HG      GLU   5  -3.298   5.971   0.701
   40    HG3  GLU   5           1HG      GLU   5  -2.841   4.724  -0.460
   41    H    LYS   6           H        LYS   6  -4.475   1.668   2.584
   42    HA   LYS   6           HA       LYS   6  -1.783   1.631   3.553
   43    HB2  LYS   6           2HB      LYS   6  -4.409   0.344   4.171
   44    HB3  LYS   6           1HB      LYS   6  -2.970  -0.368   4.900
   45    HG2  LYS   6           2HG      LYS   6  -2.443   1.591   6.085
   46    HG3  LYS   6           1HG      LYS   6  -3.428   2.606   5.030
   47    HD2  LYS   6           2HD      LYS   6  -5.457   1.808   5.973
   48    HD3  LYS   6           1HD      LYS   6  -4.650   0.447   6.753
   49    HE2  LYS   6           2HE      LYS   6  -3.274   2.534   7.856
   50    HE3  LYS   6           1HE      LYS   6  -4.885   3.254   7.662
   51    HZ1  LYS   6           3HZ      LYS   6  -4.209   0.689   8.998
   52    HZ2  LYS   6           1HZ      LYS   6  -5.795   1.153   8.615
   53    HZ3  LYS   6           2HZ      LYS   6  -4.885   2.075   9.714
   54    H    LEU   7           H        LEU   7  -3.402  -0.224   1.144
   55    HA   LEU   7           HA       LEU   7  -1.549  -2.508   1.385
   56    HB2  LEU   7           2HB      LEU   7  -3.243  -3.657   0.362
   57    HB3  LEU   7           1HB      LEU   7  -4.213  -2.263   0.819
   58    HG   LEU   7           HG       LEU   7  -3.355  -1.284  -1.474
   59   HD11  LEU   7          1HD1      LEU   7  -2.540  -4.118  -1.537
   60   HD12  LEU   7          2HD1      LEU   7  -1.955  -2.757  -2.493
   61   HD13  LEU   7          3HD1      LEU   7  -3.440  -3.585  -2.957
   62   HD21  LEU   7          3HD2      LEU   7  -5.263  -3.030  -2.458
   63   HD22  LEU   7          1HD2      LEU   7  -5.606  -1.514  -1.625
   64   HD23  LEU   7          2HD2      LEU   7  -5.595  -3.030  -0.726
   65    H    MET   8           H        MET   8  -2.158   0.325  -0.573
   66    HA   MET   8           HA       MET   8  -0.353  -0.495  -2.730
   67    HB2  MET   8           2HB      MET   8  -2.522   0.922  -2.827
   68    HB3  MET   8           1HB      MET   8  -1.522   2.241  -2.220
   69    HG2  MET   8           2HG      MET   8  -1.250   2.564  -4.495
   70    HG3  MET   8           1HG      MET   8   0.089   1.458  -4.190
   71    HE1  MET   8           3HE      MET   8  -1.696   1.567  -7.400
   72    HE2  MET   8           1HE      MET   8  -0.600   0.180  -7.439
   73    HE3  MET   8           2HE      MET   8  -0.134   1.649  -6.588
   74    H    LYS   9           H        LYS   9  -0.438   2.260  -0.434
   75    HA   LYS   9           HA       LYS   9   2.158   3.254  -0.885
   76    HB2  LYS   9           2HB      LYS   9   0.031   3.432   1.088
   77    HB3  LYS   9           1HB      LYS   9   1.610   3.520   1.867
   78    HG2  LYS   9           2HG      LYS   9   1.450   5.731   1.304
   79    HG3  LYS   9           1HG      LYS   9   2.048   5.152  -0.251
   80    HD2  LYS   9           2HD      LYS   9  -0.630   4.693  -0.528
   81    HD3  LYS   9           1HD      LYS   9  -0.640   6.138   0.484
   82    HE2  LYS   9           2HE      LYS   9   0.930   5.874  -2.107
   83    HE3  LYS   9           1HE      LYS   9  -0.626   6.714  -1.946
   84    HZ1  LYS   9           3HZ      LYS   9   0.388   8.036  -0.136
   85    HZ2  LYS   9           1HZ      LYS   9   1.118   8.307  -1.642
   86    HZ3  LYS   9           2HZ      LYS   9   1.890   7.327  -0.490
   87    H    ALA  10           H        ALA  10   1.152   0.376   0.831
   88    HA   ALA  10           HA       ALA  10   3.568  -0.010   2.365
   89    HB1  ALA  10           1HB      ALA  10   2.539  -2.427   2.330
   90    HB2  ALA  10           2HB      ALA  10   1.189  -1.643   1.511
   91    HB3  ALA  10           3HB      ALA  10   1.652  -1.133   3.134
   92    H    PHE  11           H        PHE  11   2.433  -1.159  -0.814
   93    HA   PHE  11           HA       PHE  11   4.693  -2.897  -1.289
   94    HB2  PHE  11           2HB      PHE  11   2.758  -1.537  -3.189
   95    HB3  PHE  11           1HB      PHE  11   3.731  -2.958  -3.552
   96    HD1  PHE  11           2HD      PHE  11   3.137  -3.741  -0.357
   97    HD2  PHE  11           1HD      PHE  11   0.848  -3.092  -3.937
   98    HE1  PHE  11           2HE      PHE  11   1.329  -5.181   0.535
   99    HE2  PHE  11           1HE      PHE  11  -0.954  -4.536  -3.043
  100    HZ   PHE  11           HZ       PHE  11  -0.716  -5.581  -0.808
  101    H    GLU  12           H        GLU  12   4.364   0.503  -1.316
  102    HA   GLU  12           HA       GLU  12   6.740   0.797  -3.127
  103    HB2  GLU  12           2HB      GLU  12   4.159   2.089  -2.883
  104    HB3  GLU  12           1HB      GLU  12   5.449   3.272  -2.676
  105    HG2  GLU  12           2HG      GLU  12   5.302   1.298  -4.972
  106    HG3  GLU  12           1HG      GLU  12   4.756   2.973  -5.062
  107    H    SER  13           H        SER  13   5.226   1.998  -0.135
  108    HA   SER  13           HA       SER  13   7.615   3.482   0.644
  109    HB2  SER  13           2HB      SER  13   5.142   2.827   2.249
  110    HB3  SER  13           1HB      SER  13   6.232   4.190   2.481
  111    HG   SER  13           HG       SER  13   5.504   5.084   0.602
  112    H    LEU  14           H        LEU  14   6.173   0.378   1.369
  113    HA   LEU  14           HA       LEU  14   7.928  -0.095   3.670
  114    HB2  LEU  14           2HB      LEU  14   5.435  -0.883   3.005
  115    HB3  LEU  14           1HB      LEU  14   6.347  -2.272   2.415
  116    HG   LEU  14           HG       LEU  14   7.490  -2.363   4.669
  117   HD11  LEU  14          1HD1      LEU  14   7.233  -0.368   5.776
  118   HD12  LEU  14          2HD1      LEU  14   5.799  -1.180   6.406
  119   HD13  LEU  14          3HD1      LEU  14   5.653  -0.055   5.056
  120   HD21  LEU  14          3HD2      LEU  14   5.859  -3.780   5.463
  121   HD22  LEU  14          1HD2      LEU  14   5.203  -3.523   3.847
  122   HD23  LEU  14          2HD2      LEU  14   4.570  -2.603   5.212
  123    H    LYS  15           H        LYS  15   7.932  -0.765   0.238
  124    HA   LYS  15           HA       LYS  15  10.290  -2.580   0.630
  125    HB2  LYS  15           2HB      LYS  15   8.267  -3.616  -0.345
  126    HB3  LYS  15           1HB      LYS  15   8.273  -2.406  -1.630
  127    HG2  LYS  15           2HG      LYS  15  10.546  -3.174  -2.300
  128    HG3  LYS  15           1HG      LYS  15  10.453  -4.439  -1.074
  129    HD2  LYS  15           2HD      LYS  15   8.208  -5.073  -2.251
  130    HD3  LYS  15           1HD      LYS  15   8.854  -4.147  -3.607
  131    HE2  LYS  15           2HE      LYS  15   9.600  -6.369  -4.026
  132    HE3  LYS  15           1HE      LYS  15  11.007  -5.593  -3.269
  133    HZ1  LYS  15           3HZ      LYS  15  10.321  -7.762  -2.243
  134    HZ2  LYS  15           1HZ      LYS  15   8.900  -6.996  -1.722
  135    HZ3  LYS  15           2HZ      LYS  15  10.411  -6.453  -1.163
  136    H    SER  16           H        SER  16   9.016   0.206  -1.144
  137    HA   SER  16           HA       SER  16  11.589   0.488  -2.575
  138    HB2  SER  16           2HB      SER  16   8.958   0.747  -3.336
  139    HB3  SER  16           1HB      SER  16   9.432   2.422  -3.067
  140    HG   SER  16           HG       SER  16  11.291   1.934  -4.410
  141    H    PHE  17           H        PHE  17   9.563   2.013  -0.176
  142    HA   PHE  17           HA       PHE  17   9.803   4.170   0.883
  143    HB2  PHE  17           2HB      PHE  17  12.127   3.777   2.197
  144    HB3  PHE  17           1HB      PHE  17  10.658   2.888   2.578
  145    HD1  PHE  17           2HD      PHE  17  13.736   2.734   0.451
  146    HD2  PHE  17           1HD      PHE  17  10.608   0.544   2.418
  147    HE1  PHE  17           2HE      PHE  17  14.875   0.603  -0.108
  148    HE2  PHE  17           1HE      PHE  17  11.748  -1.588   1.860
  149    HZ   PHE  17           HZ       PHE  17  13.884  -1.556   0.598
  150    HN1  NH2  18           2H       PHE  17  11.813   5.944  -1.640
  151    HN2  NH2  18           1H       PHE  17  10.345   5.097  -1.558
  Start of MODEL    5
    1    H1   MET   1           1HT      MET   1 -13.573  -0.060   2.572
    2    H2   MET   1           2HT      MET   1 -12.315  -0.446   1.497
    3    H3   MET   1           3HT      MET   1 -13.923  -0.408   0.950
    4    HA   MET   1           HA       MET   1 -12.586   1.587   0.300
    5    HB2  MET   1           2HB      MET   1 -15.084   1.399   0.476
    6    HB3  MET   1           1HB      MET   1 -14.971   1.986   2.136
    7    HG2  MET   1           2HG      MET   1 -14.337   4.127   1.484
    8    HG3  MET   1           1HG      MET   1 -13.675   3.572  -0.054
    9    HE1  MET   1           3HE      MET   1 -16.823   5.851   0.887
   10    HE2  MET   1           1HE      MET   1 -16.238   6.154  -0.755
   11    HE3  MET   1           2HE      MET   1 -15.092   5.911   0.562
   12    H    ALA   2           H        ALA   2 -11.055   0.674   2.577
   13    HA   ALA   2           HA       ALA   2 -10.390   3.282   3.770
   14    HB1  ALA   2           1HB      ALA   2 -10.624   1.838   6.069
   15    HB2  ALA   2           2HB      ALA   2 -11.938   1.142   5.121
   16    HB3  ALA   2           3HB      ALA   2 -11.904   2.877   5.442
   17    H    THR   3           H        THR   3  -9.892  -0.256   3.921
   18    HA   THR   3           HA       THR   3  -7.047   0.161   4.675
   19    HB   THR   3           HB       THR   3  -8.593  -2.413   4.266
   20    HG1  THR   3           1HG      THR   3  -8.367  -0.761   6.560
   21   HG21  THR   3          3HG2      THR   3  -6.055  -1.615   5.678
   22   HG22  THR   3          1HG2      THR   3  -6.305  -2.912   4.509
   23   HG23  THR   3          2HG2      THR   3  -6.933  -3.070   6.149
   24    H    LEU   4           H        LEU   4  -7.689   1.033   2.057
   25    HA   LEU   4           HA       LEU   4  -6.644  -1.116   0.297
   26    HB2  LEU   4           2HB      LEU   4  -8.298   1.368  -0.047
   27    HB3  LEU   4           1HB      LEU   4  -7.430   0.711  -1.435
   28    HG   LEU   4           HG       LEU   4  -9.049  -1.167   0.242
   29   HD11  LEU   4          1HD1      LEU   4 -10.431   0.930  -0.270
   30   HD12  LEU   4          2HD1      LEU   4 -11.097  -0.601  -0.841
   31   HD13  LEU   4          3HD1      LEU   4 -10.285   0.484  -1.969
   32   HD21  LEU   4          3HD2      LEU   4  -8.410  -0.897  -2.713
   33   HD22  LEU   4          1HD2      LEU   4  -9.397  -2.184  -2.021
   34   HD23  LEU   4          2HD2      LEU   4  -7.694  -2.048  -1.587
   35    H    GLU   5           H        GLU   5  -6.276   2.436   0.721
   36    HA   GLU   5           HA       GLU   5  -3.869   2.686  -0.754
   37    HB2  GLU   5           2HB      GLU   5  -5.449   4.198   1.207
   38    HB3  GLU   5           1HB      GLU   5  -3.727   4.559   1.301
   39    HG2  GLU   5           2HG      GLU   5  -3.825   5.775  -0.592
   40    HG3  GLU   5           1HG      GLU   5  -4.541   4.422  -1.467
   41    H    LYS   6           H        LYS   6  -4.451   1.722   2.587
   42    HA   LYS   6           HA       LYS   6  -1.735   1.740   3.491
   43    HB2  LYS   6           2HB      LYS   6  -4.103   1.399   4.655
   44    HB3  LYS   6           1HB      LYS   6  -3.743  -0.305   4.378
   45    HG2  LYS   6           2HG      LYS   6  -1.985  -0.321   5.860
   46    HG3  LYS   6           1HG      LYS   6  -1.568   1.363   5.544
   47    HD2  LYS   6           2HD      LYS   6  -3.000   2.157   7.137
   48    HD3  LYS   6           1HD      LYS   6  -4.211   0.918   6.810
   49    HE2  LYS   6           2HE      LYS   6  -3.197  -0.640   8.231
   50    HE3  LYS   6           1HE      LYS   6  -1.606   0.137   8.107
   51    HZ1  LYS   6           3HZ      LYS   6  -2.515   2.078   9.245
   52    HZ2  LYS   6           1HZ      LYS   6  -2.646   0.692  10.214
   53    HZ3  LYS   6           2HZ      LYS   6  -4.015   1.297   9.409
   54    H    LEU   7           H        LEU   7  -3.426  -0.231   1.226
   55    HA   LEU   7           HA       LEU   7  -1.574  -2.505   1.506
   56    HB2  LEU   7           2HB      LEU   7  -3.286  -3.675   0.530
   57    HB3  LEU   7           1HB      LEU   7  -4.242  -2.265   0.968
   58    HG   LEU   7           HG       LEU   7  -3.421  -1.346  -1.362
   59   HD11  LEU   7          1HD1      LEU   7  -2.525  -4.132  -1.351
   60   HD12  LEU   7          2HD1      LEU   7  -2.097  -2.819  -2.449
   61   HD13  LEU   7          3HD1      LEU   7  -3.564  -3.758  -2.727
   62   HD21  LEU   7          3HD2      LEU   7  -5.634  -3.146  -0.578
   63   HD22  LEU   7          1HD2      LEU   7  -5.350  -3.031  -2.316
   64   HD23  LEU   7          2HD2      LEU   7  -5.691  -1.575  -1.379
   65    H    MET   8           H        MET   8  -2.199   0.263  -0.541
   66    HA   MET   8           HA       MET   8  -0.401  -0.629  -2.676
   67    HB2  MET   8           2HB      MET   8  -2.570   0.722  -2.885
   68    HB3  MET   8           1HB      MET   8  -1.659   2.084  -2.233
   69    HG2  MET   8           2HG      MET   8  -0.146   2.083  -4.080
   70    HG3  MET   8           1HG      MET   8  -0.720   0.513  -4.640
   71    HE1  MET   8           3HE      MET   8  -1.295   3.173  -7.185
   72    HE2  MET   8           1HE      MET   8  -1.897   1.529  -7.442
   73    HE3  MET   8           2HE      MET   8  -0.376   1.792  -6.592
   74    H    LYS   9           H        LYS   9  -0.507   2.174  -0.446
   75    HA   LYS   9           HA       LYS   9   2.050   3.232  -0.960
   76    HB2  LYS   9           2HB      LYS   9   0.003   3.287   1.147
   77    HB3  LYS   9           1HB      LYS   9   1.629   3.594   1.759
   78    HG2  LYS   9           2HG      LYS   9   1.663   5.653   0.844
   79    HG3  LYS   9           1HG      LYS   9   1.178   5.023  -0.731
   80    HD2  LYS   9           2HD      LYS   9  -1.176   4.803   0.573
   81    HD3  LYS   9           1HD      LYS   9  -0.491   6.178   1.440
   82    HE2  LYS   9           2HE      LYS   9   0.094   6.880  -1.134
   83    HE3  LYS   9           1HE      LYS   9  -1.438   6.012  -1.361
   84    HZ1  LYS   9           3HZ      LYS   9  -0.963   8.118   0.684
   85    HZ2  LYS   9           1HZ      LYS   9  -2.429   7.314   0.393
   86    HZ3  LYS   9           2HZ      LYS   9  -1.787   8.361  -0.782
   87    H    ALA  10           H        ALA  10   1.178   0.337   0.805
   88    HA   ALA  10           HA       ALA  10   3.627   0.043   2.295
   89    HB1  ALA  10           1HB      ALA  10   1.198  -1.499   1.598
   90    HB2  ALA  10           2HB      ALA  10   2.015  -1.340   3.153
   91    HB3  ALA  10           3HB      ALA  10   2.618  -2.482   1.953
   92    H    PHE  11           H        PHE  11   2.488  -1.370  -0.793
   93    HA   PHE  11           HA       PHE  11   4.804  -2.914  -1.348
   94    HB2  PHE  11           2HB      PHE  11   2.919  -1.502  -3.255
   95    HB3  PHE  11           1HB      PHE  11   3.879  -2.934  -3.612
   96    HD1  PHE  11           1HD      PHE  11   3.280  -3.911  -0.544
   97    HD2  PHE  11           2HD      PHE  11   0.916  -2.847  -3.973
   98    HE1  PHE  11           1HE      PHE  11   1.426  -5.325   0.294
   99    HE2  PHE  11           2HE      PHE  11  -0.934  -4.265  -3.134
  100    HZ   PHE  11           HZ       PHE  11  -0.680  -5.505  -1.002
  101    H    GLU  12           H        GLU  12   4.339   0.508  -1.425
  102    HA   GLU  12           HA       GLU  12   6.808   0.860  -3.088
  103    HB2  GLU  12           2HB      GLU  12   4.202   2.129  -2.877
  104    HB3  GLU  12           1HB      GLU  12   5.495   3.311  -2.680
  105    HG2  GLU  12           2HG      GLU  12   5.428   1.297  -4.940
  106    HG3  GLU  12           1HG      GLU  12   4.761   2.924  -5.075
  107    H    SER  13           H        SER  13   5.168   2.007  -0.140
  108    HA   SER  13           HA       SER  13   7.443   3.584   0.734
  109    HB2  SER  13           2HB      SER  13   6.000   4.210   2.490
  110    HB3  SER  13           1HB      SER  13   4.897   3.857   1.163
  111    HG   SER  13           HG       SER  13   4.777   2.820   3.491
  112    H    LEU  14           H        LEU  14   6.317   0.317   1.305
  113    HA   LEU  14           HA       LEU  14   7.588  -0.347   3.723
  114    HB2  LEU  14           2HB      LEU  14   6.127  -1.840   2.435
  115    HB3  LEU  14           1HB      LEU  14   7.342  -1.957   1.161
  116    HG   LEU  14           HG       LEU  14   8.733  -2.617   3.499
  117   HD11  LEU  14          1HD1      LEU  14   6.013  -3.962   3.461
  118   HD12  LEU  14          2HD1      LEU  14   6.581  -2.829   4.688
  119   HD13  LEU  14          3HD1      LEU  14   7.361  -4.401   4.511
  120   HD21  LEU  14          3HD2      LEU  14   7.509  -4.808   1.892
  121   HD22  LEU  14          1HD2      LEU  14   9.198  -4.540   2.324
  122   HD23  LEU  14          2HD2      LEU  14   8.466  -3.617   1.011
  123    H    LYS  15           H        LYS  15   9.070  -1.157   0.561
  124    HA   LYS  15           HA       LYS  15  11.732  -0.432   1.741
  125    HB2  LYS  15           2HB      LYS  15  11.080  -2.911   1.538
  126    HB3  LYS  15           1HB      LYS  15  11.205  -2.680  -0.207
  127    HG2  LYS  15           2HG      LYS  15  13.538  -1.528   0.672
  128    HG3  LYS  15           1HG      LYS  15  13.338  -2.850   1.822
  129    HD2  LYS  15           2HD      LYS  15  13.115  -4.453  -0.014
  130    HD3  LYS  15           1HD      LYS  15  13.225  -3.147  -1.194
  131    HE2  LYS  15           2HE      LYS  15  15.417  -3.680   0.834
  132    HE3  LYS  15           1HE      LYS  15  15.408  -4.407  -0.785
  133    HZ1  LYS  15           3HZ      LYS  15  15.035  -2.105  -1.657
  134    HZ2  LYS  15           1HZ      LYS  15  16.566  -2.362  -0.971
  135    HZ3  LYS  15           2HZ      LYS  15  15.376  -1.520  -0.098
  136    H    SER  16           H        SER  16   9.662  -0.519  -1.110
  137    HA   SER  16           HA       SER  16  11.562   0.263  -3.081
  138    HB2  SER  16           2HB      SER  16   8.638   0.173  -2.695
  139    HB3  SER  16           1HB      SER  16   9.180   1.345  -3.892
  140    HG   SER  16           HG       SER  16  10.452  -0.425  -4.781
  141    H    PHE  17           H        PHE  17  10.255   2.047  -0.441
  142    HA   PHE  17           HA       PHE  17  10.086   4.681  -1.409
  143    HB2  PHE  17           2HB      PHE  17  10.405   5.298   0.908
  144    HB3  PHE  17           1HB      PHE  17   9.543   3.763   0.885
  145    HD1  PHE  17           1HD      PHE  17  12.868   5.344   1.382
  146    HD2  PHE  17           2HD      PHE  17  10.526   1.764   1.778
  147    HE1  PHE  17           1HE      PHE  17  14.667   4.317   2.746
  148    HE2  PHE  17           2HE      PHE  17  12.327   0.739   3.143
  149    HZ   PHE  17           HZ       PHE  17  14.396   2.015   3.625
  150    HN1  NH2  18           2H       PHE  17  14.120   3.955  -1.213
  151    HN2  NH2  18           1H       PHE  17  13.010   2.770  -0.719
  Start of MODEL    6
    1    H1   MET   1           1HT      MET   1 -13.097  -1.446   5.618
    2    H2   MET   1           2HT      MET   1 -13.389  -0.993   7.229
    3    H3   MET   1           3HT      MET   1 -11.854  -0.751   6.540
    4    HA   MET   1           HA       MET   1 -14.353   0.622   5.682
    5    HB2  MET   1           2HB      MET   1 -13.016   0.964   7.997
    6    HB3  MET   1           1HB      MET   1 -12.020   1.976   6.950
    7    HG2  MET   1           2HG      MET   1 -13.625   3.566   6.779
    8    HG3  MET   1           1HG      MET   1 -14.896   2.373   6.524
    9    HE1  MET   1           3HE      MET   1 -15.260   0.568   8.686
   10    HE2  MET   1           1HE      MET   1 -16.546   1.655   8.144
   11    HE3  MET   1           2HE      MET   1 -16.238   1.438   9.864
   12    H    ALA   2           H        ALA   2 -12.909  -0.675   3.732
   13    HA   ALA   2           HA       ALA   2 -11.672  -0.318   1.752
   14    HB1  ALA   2           1HB      ALA   2 -13.079   2.141   2.535
   15    HB2  ALA   2           2HB      ALA   2 -13.009   1.343   0.964
   16    HB3  ALA   2           3HB      ALA   2 -11.715   2.435   1.457
   17    H    THR   3           H        THR   3  -9.587  -0.943   2.578
   18    HA   THR   3           HA       THR   3  -7.811   1.351   3.354
   19    HB   THR   3           HB       THR   3  -6.547  -0.374   4.621
   20    HG1  THR   3           1HG      THR   3  -8.677  -2.097   3.910
   21   HG21  THR   3          3HG2      THR   3  -9.439  -0.697   5.379
   22   HG22  THR   3          1HG2      THR   3  -8.662   0.881   5.499
   23   HG23  THR   3          2HG2      THR   3  -8.036  -0.482   6.426
   24    H    LEU   4           H        LEU   4  -8.260   0.777   0.633
   25    HA   LEU   4           HA       LEU   4  -6.400  -1.078  -0.507
   26    HB2  LEU   4           2HB      LEU   4  -8.136   1.173  -1.338
   27    HB3  LEU   4           1HB      LEU   4  -6.763   0.865  -2.402
   28    HG   LEU   4           HG       LEU   4  -7.637  -1.679  -1.972
   29   HD11  LEU   4          1HD1      LEU   4  -9.623  -0.356  -0.755
   30   HD12  LEU   4          2HD1      LEU   4  -9.917  -1.833  -1.674
   31   HD13  LEU   4          3HD1      LEU   4 -10.226  -0.260  -2.410
   32   HD21  LEU   4          3HD2      LEU   4  -8.952   0.027  -4.081
   33   HD22  LEU   4          1HD2      LEU   4  -8.333  -1.618  -4.221
   34   HD23  LEU   4          2HD2      LEU   4  -7.212  -0.260  -4.123
   35    H    GLU   5           H        GLU   5  -6.181   2.496  -0.166
   36    HA   GLU   5           HA       GLU   5  -3.508   2.747  -1.081
   37    HB2  GLU   5           2HB      GLU   5  -5.477   4.285   0.501
   38    HB3  GLU   5           1HB      GLU   5  -3.797   4.719   0.816
   39    HG2  GLU   5           2HG      GLU   5  -3.469   5.548  -1.299
   40    HG3  GLU   5           1HG      GLU   5  -4.570   4.385  -2.037
   41    H    LYS   6           H        LYS   6  -4.802   1.976   2.118
   42    HA   LYS   6           HA       LYS   6  -2.315   2.032   3.541
   43    HB2  LYS   6           2HB      LYS   6  -5.092   1.171   3.889
   44    HB3  LYS   6           1HB      LYS   6  -3.958   0.105   4.718
   45    HG2  LYS   6           2HG      LYS   6  -3.279   2.930   5.066
   46    HG3  LYS   6           1HG      LYS   6  -4.889   2.548   5.675
   47    HD2  LYS   6           2HD      LYS   6  -4.082   1.001   7.230
   48    HD3  LYS   6           1HD      LYS   6  -2.581   0.741   6.338
   49    HE2  LYS   6           2HE      LYS   6  -1.541   2.510   7.343
   50    HE3  LYS   6           1HE      LYS   6  -2.997   3.524   7.269
   51    HZ1  LYS   6           3HZ      LYS   6  -2.471   2.848   9.557
   52    HZ2  LYS   6           1HZ      LYS   6  -2.614   1.219   9.107
   53    HZ3  LYS   6           2HZ      LYS   6  -3.973   2.238   9.046
   54    H    LEU   7           H        LEU   7  -3.535  -0.067   1.110
   55    HA   LEU   7           HA       LEU   7  -1.783  -2.297   1.952
   56    HB2  LEU   7           2HB      LEU   7  -3.396  -3.609   1.011
   57    HB3  LEU   7           1HB      LEU   7  -4.382  -2.152   1.047
   58    HG   LEU   7           HG       LEU   7  -3.298  -1.638  -1.265
   59   HD11  LEU   7          1HD1      LEU   7  -2.349  -4.372  -0.664
   60   HD12  LEU   7          2HD1      LEU   7  -1.691  -3.164  -1.767
   61   HD13  LEU   7          3HD1      LEU   7  -3.051  -4.168  -2.270
   62   HD21  LEU   7          3HD2      LEU   7  -5.322  -2.262  -2.061
   63   HD22  LEU   7          1HD2      LEU   7  -5.647  -2.913  -0.454
   64   HD23  LEU   7          2HD2      LEU   7  -5.008  -3.963  -1.719
   65    H    MET   8           H        MET   8  -2.228   0.145  -0.528
   66    HA   MET   8           HA       MET   8  -0.200  -0.957  -2.323
   67    HB2  MET   8           2HB      MET   8  -2.235   0.310  -3.040
   68    HB3  MET   8           1HB      MET   8  -1.585   1.741  -2.238
   69    HG2  MET   8           2HG      MET   8   0.542   1.237  -3.713
   70    HG3  MET   8           1HG      MET   8  -0.609   0.351  -4.714
   71    HE1  MET   8           3HE      MET   8   0.947   3.113  -5.939
   72    HE2  MET   8           1HE      MET   8  -0.483   3.244  -6.971
   73    HE3  MET   8           2HE      MET   8   0.129   1.659  -6.505
   74    H    LYS   9           H        LYS   9  -0.454   1.685   0.040
   75    HA   LYS   9           HA       LYS   9   1.974   3.029  -0.403
   76    HB2  LYS   9           2HB      LYS   9   0.008   2.653   1.714
   77    HB3  LYS   9           1HB      LYS   9   1.626   2.864   2.381
   78    HG2  LYS   9           2HG      LYS   9   0.769   5.069   2.163
   79    HG3  LYS   9           1HG      LYS   9   1.847   4.864   0.783
   80    HD2  LYS   9           2HD      LYS   9  -0.861   3.946   0.194
   81    HD3  LYS   9           1HD      LYS   9  -0.828   5.643   0.667
   82    HE2  LYS   9           2HE      LYS   9   0.776   6.175  -1.063
   83    HE3  LYS   9           1HE      LYS   9   1.007   4.456  -1.443
   84    HZ1  LYS   9           3HZ      LYS   9  -0.581   5.328  -2.977
   85    HZ2  LYS   9           1HZ      LYS   9  -1.492   6.034  -1.734
   86    HZ3  LYS   9           2HZ      LYS   9  -1.422   4.343  -1.878
   87    H    ALA  10           H        ALA  10   1.421  -0.140   1.004
   88    HA   ALA  10           HA       ALA  10   4.051  -0.412   2.203
   89    HB1  ALA  10           1HB      ALA  10   3.082  -2.304   3.033
   90    HB2  ALA  10           2HB      ALA  10   2.590  -2.848   1.430
   91    HB3  ALA  10           3HB      ALA  10   1.595  -1.689   2.312
   92    H    PHE  11           H        PHE  11   2.664  -1.031  -0.971
   93    HA   PHE  11           HA       PHE  11   4.891  -2.696  -1.867
   94    HB2  PHE  11           2HB      PHE  11   2.705  -1.211  -3.360
   95    HB3  PHE  11           1HB      PHE  11   3.697  -2.509  -4.017
   96    HD1  PHE  11           2HD      PHE  11   3.466  -3.674  -0.861
   97    HD2  PHE  11           1HD      PHE  11   0.836  -2.839  -4.159
   98    HE1  PHE  11           2HE      PHE  11   1.842  -5.321   0.016
   99    HE2  PHE  11           1HE      PHE  11  -0.785  -4.490  -3.275
  100    HZ   PHE  11           HZ       PHE  11  -0.282  -5.735  -1.193
  101    H    GLU  12           H        GLU  12   4.515   0.593  -1.271
  102    HA   GLU  12           HA       GLU  12   6.716   1.286  -3.194
  103    HB2  GLU  12           2HB      GLU  12   4.052   2.361  -2.720
  104    HB3  GLU  12           1HB      GLU  12   5.286   3.604  -2.520
  105    HG2  GLU  12           2HG      GLU  12   6.255   2.886  -4.738
  106    HG3  GLU  12           1HG      GLU  12   4.851   1.838  -4.944
  107    H    SER  13           H        SER  13   5.204   2.006  -0.045
  108    HA   SER  13           HA       SER  13   7.349   3.726   0.854
  109    HB2  SER  13           2HB      SER  13   6.036   3.895   2.808
  110    HB3  SER  13           1HB      SER  13   4.849   3.576   1.547
  111    HG   SER  13           HG       SER  13   5.943   1.816   3.470
  112    H    LEU  14           H        LEU  14   6.667   0.299   1.051
  113    HA   LEU  14           HA       LEU  14   8.224  -0.600   3.183
  114    HB2  LEU  14           2HB      LEU  14   7.313  -1.583   0.591
  115    HB3  LEU  14           1HB      LEU  14   8.828  -2.335   1.074
  116    HG   LEU  14           HG       LEU  14   6.848  -3.596   1.903
  117   HD11  LEU  14          1HD1      LEU  14   7.698  -3.938   4.110
  118   HD12  LEU  14          2HD1      LEU  14   8.315  -2.288   4.203
  119   HD13  LEU  14          3HD1      LEU  14   9.082  -3.457   3.129
  120   HD21  LEU  14          3HD2      LEU  14   5.921  -0.986   2.537
  121   HD22  LEU  14          1HD2      LEU  14   6.140  -1.829   4.070
  122   HD23  LEU  14          2HD2      LEU  14   5.097  -2.516   2.827
  123    H    LYS  15           H        LYS  15   9.601  -0.608  -0.122
  124    HA   LYS  15           HA       LYS  15  12.224   0.219   1.080
  125    HB2  LYS  15           2HB      LYS  15  11.997  -2.168   0.340
  126    HB3  LYS  15           1HB      LYS  15  11.688  -1.585  -1.296
  127    HG2  LYS  15           2HG      LYS  15  13.986  -0.213  -0.582
  128    HG3  LYS  15           1HG      LYS  15  14.227  -1.795   0.160
  129    HD2  LYS  15           2HD      LYS  15  14.427  -2.849  -1.849
  130    HD3  LYS  15           1HD      LYS  15  13.155  -1.879  -2.592
  131    HE2  LYS  15           2HE      LYS  15  15.865  -0.692  -1.951
  132    HE3  LYS  15           1HE      LYS  15  15.537  -1.502  -3.496
  133    HZ1  LYS  15           3HZ      LYS  15  13.635  -0.069  -3.826
  134    HZ2  LYS  15           1HZ      LYS  15  15.023   0.878  -3.599
  135    HZ3  LYS  15           2HZ      LYS  15  13.905   0.695  -2.333
  136    H    SER  16           H        SER  16   9.969   0.578  -1.605
  137    HA   SER  16           HA       SER  16  11.619   2.118  -3.355
  138    HB2  SER  16           2HB      SER  16   8.820   1.355  -3.007
  139    HB3  SER  16           1HB      SER  16   8.991   2.958  -3.716
  140    HG   SER  16           HG       SER  16  10.320   0.607  -4.602
  141    H    PHE  17           H        PHE  17  10.264   2.924  -0.309
  142    HA   PHE  17           HA       PHE  17   9.552   5.619  -0.472
  143    HB2  PHE  17           2HB      PHE  17  10.150   5.685   1.883
  144    HB3  PHE  17           1HB      PHE  17   9.519   4.081   1.521
  145    HD1  PHE  17           2HD      PHE  17  12.643   6.038   2.024
  146    HD2  PHE  17           1HD      PHE  17  10.885   2.128   1.752
  147    HE1  PHE  17           2HE      PHE  17  14.758   5.029   2.835
  148    HE2  PHE  17           1HE      PHE  17  13.000   1.121   2.568
  149    HZ   PHE  17           HZ       PHE  17  14.936   2.572   3.108
  150    HN1  NH2  18           2H       PHE  17  12.449   7.695  -0.685
  151    HN2  NH2  18           1H       PHE  17  10.800   7.631  -0.287
  Start of MODEL    7
    1    H1   MET   1           1HT      MET   1 -15.068  -0.877   7.339
    2    H2   MET   1           2HT      MET   1 -14.654   0.558   8.149
    3    H3   MET   1           3HT      MET   1 -14.911  -0.873   9.028
    4    HA   MET   1           HA       MET   1 -12.512  -0.276   8.735
    5    HB2  MET   1           2HB      MET   1 -13.847  -2.615   8.909
    6    HB3  MET   1           1HB      MET   1 -13.053  -2.861   7.353
    7    HG2  MET   1           2HG      MET   1 -10.921  -2.794   8.272
    8    HG3  MET   1           1HG      MET   1 -11.432  -1.808   9.643
    9    HE1  MET   1           3HE      MET   1 -10.177  -5.647   9.326
   10    HE2  MET   1           1HE      MET   1  -9.801  -4.878  10.874
   11    HE3  MET   1           2HE      MET   1  -9.598  -3.985   9.369
   12    H    ALA   2           H        ALA   2 -10.951   0.351   7.269
   13    HA   ALA   2           HA       ALA   2 -11.198  -0.327   4.405
   14    HB1  ALA   2           1HB      ALA   2 -10.973   2.294   4.037
   15    HB2  ALA   2           2HB      ALA   2 -11.735   2.361   5.625
   16    HB3  ALA   2           3HB      ALA   2 -12.558   1.562   4.285
   17    H    THR   3           H        THR   3  -9.133  -0.699   3.700
   18    HA   THR   3           HA       THR   3  -6.909   1.020   4.620
   19    HB   THR   3           HB       THR   3  -7.149  -0.716   6.356
   20    HG1  THR   3           1HG      THR   3  -4.960  -1.275   4.646
   21   HG21  THR   3          3HG2      THR   3  -7.521  -2.910   5.906
   22   HG22  THR   3          1HG2      THR   3  -6.363  -2.929   4.576
   23   HG23  THR   3          2HG2      THR   3  -7.999  -2.330   4.311
   24    H    LEU   4           H        LEU   4  -8.018   0.741   2.034
   25    HA   LEU   4           HA       LEU   4  -6.571  -1.193   0.444
   26    HB2  LEU   4           2HB      LEU   4  -8.155   1.323  -0.121
   27    HB3  LEU   4           1HB      LEU   4  -7.463   0.338  -1.409
   28    HG   LEU   4           HG       LEU   4  -9.139  -0.968   0.715
   29   HD11  LEU   4          1HD1      LEU   4 -11.163  -0.494  -0.458
   30   HD12  LEU   4          2HD1      LEU   4 -10.292   0.211  -1.822
   31   HD13  LEU   4          3HD1      LEU   4 -10.347   1.060  -0.277
   32   HD21  LEU   4          3HD2      LEU   4  -9.695  -2.398  -1.327
   33   HD22  LEU   4          1HD2      LEU   4  -8.019  -2.466  -0.784
   34   HD23  LEU   4          2HD2      LEU   4  -8.452  -1.491  -2.188
   35    H    GLU   5           H        GLU   5  -6.275   2.385   0.694
   36    HA   GLU   5           HA       GLU   5  -3.889   2.612  -0.824
   37    HB2  GLU   5           2HB      GLU   5  -5.536   4.201   0.967
   38    HB3  GLU   5           1HB      GLU   5  -3.828   4.552   1.231
   39    HG2  GLU   5           2HG      GLU   5  -3.535   5.424  -0.877
   40    HG3  GLU   5           1HG      GLU   5  -4.750   4.367  -1.597
   41    H    LYS   6           H        LYS   6  -4.422   1.791   2.560
   42    HA   LYS   6           HA       LYS   6  -1.693   1.911   3.429
   43    HB2  LYS   6           2HB      LYS   6  -4.260   0.616   4.271
   44    HB3  LYS   6           1HB      LYS   6  -2.769   0.065   5.035
   45    HG2  LYS   6           2HG      LYS   6  -3.079   3.005   4.826
   46    HG3  LYS   6           1HG      LYS   6  -4.204   2.199   5.920
   47    HD2  LYS   6           2HD      LYS   6  -1.914   0.947   6.630
   48    HD3  LYS   6           1HD      LYS   6  -1.256   2.505   6.127
   49    HE2  LYS   6           2HE      LYS   6  -1.761   2.997   8.344
   50    HE3  LYS   6           1HE      LYS   6  -3.320   3.406   7.600
   51    HZ1  LYS   6           3HZ      LYS   6  -3.947   1.028   7.910
   52    HZ2  LYS   6           1HZ      LYS   6  -3.761   1.887   9.360
   53    HZ3  LYS   6           2HZ      LYS   6  -2.542   0.824   8.842
   54    H    LEU   7           H        LEU   7  -3.367  -0.198   1.284
   55    HA   LEU   7           HA       LEU   7  -1.476  -2.426   1.674
   56    HB2  LEU   7           2HB      LEU   7  -3.186  -3.683   0.815
   57    HB3  LEU   7           1HB      LEU   7  -4.161  -2.260   1.165
   58    HG   LEU   7           HG       LEU   7  -3.398  -1.490  -1.230
   59   HD11  LEU   7          1HD1      LEU   7  -2.020  -3.874  -1.103
   60   HD12  LEU   7          2HD1      LEU   7  -2.431  -3.025  -2.593
   61   HD13  LEU   7          3HD1      LEU   7  -3.467  -4.326  -2.004
   62   HD21  LEU   7          3HD2      LEU   7  -5.643  -2.836  -0.182
   63   HD22  LEU   7          1HD2      LEU   7  -5.274  -3.648  -1.704
   64   HD23  LEU   7          2HD2      LEU   7  -5.567  -1.910  -1.680
   65    H    MET   8           H        MET   8  -2.225   0.179  -0.550
   66    HA   MET   8           HA       MET   8  -0.453  -0.791  -2.663
   67    HB2  MET   8           2HB      MET   8  -2.658   0.763  -2.593
   68    HB3  MET   8           1HB      MET   8  -1.423   2.022  -2.530
   69    HG2  MET   8           2HG      MET   8  -0.375   0.512  -4.493
   70    HG3  MET   8           1HG      MET   8  -2.078   0.117  -4.725
   71    HE1  MET   8           3HE      MET   8  -3.738   1.854  -4.140
   72    HE2  MET   8           1HE      MET   8  -3.919   2.201  -5.865
   73    HE3  MET   8           2HE      MET   8  -3.737   3.521  -4.711
   74    H    LYS   9           H        LYS   9  -0.501   2.134  -0.590
   75    HA   LYS   9           HA       LYS   9   2.094   3.086  -1.175
   76    HB2  LYS   9           2HB      LYS   9  -0.041   3.555   0.669
   77    HB3  LYS   9           1HB      LYS   9   1.459   3.498   1.596
   78    HG2  LYS   9           2HG      LYS   9   1.110   5.782   0.863
   79    HG3  LYS   9           1HG      LYS   9   2.463   5.109  -0.047
   80    HD2  LYS   9           2HD      LYS   9   0.044   4.494  -1.456
   81    HD3  LYS   9           1HD      LYS   9   0.037   6.215  -1.069
   82    HE2  LYS   9           2HE      LYS   9   2.126   6.576  -2.188
   83    HE3  LYS   9           1HE      LYS   9   2.436   4.832  -2.311
   84    HZ1  LYS   9           3HZ      LYS   9   0.054   6.156  -3.487
   85    HZ2  LYS   9           1HZ      LYS   9   0.577   4.562  -3.740
   86    HZ3  LYS   9           2HZ      LYS   9   1.479   5.860  -4.364
   87    H    ALA  10           H        ALA  10   1.101   0.368   0.783
   88    HA   ALA  10           HA       ALA  10   3.467   0.089   2.380
   89    HB1  ALA  10           1HB      ALA  10   1.645  -1.146   3.124
   90    HB2  ALA  10           2HB      ALA  10   2.525  -2.401   2.250
   91    HB3  ALA  10           3HB      ALA  10   1.155  -1.591   1.490
   92    H    PHE  11           H        PHE  11   2.508  -1.253  -0.788
   93    HA   PHE  11           HA       PHE  11   4.870  -2.859  -1.154
   94    HB2  PHE  11           2HB      PHE  11   2.996  -1.613  -3.186
   95    HB3  PHE  11           1HB      PHE  11   3.996  -3.042  -3.427
   96    HD1  PHE  11           1HD      PHE  11   3.383  -3.951  -0.390
   97    HD2  PHE  11           2HD      PHE  11   0.992  -2.934  -3.813
   98    HE1  PHE  11           1HE      PHE  11   1.537  -5.361   0.477
   99    HE2  PHE  11           2HE      PHE  11  -0.851  -4.345  -2.944
  100    HZ   PHE  11           HZ       PHE  11  -0.578  -5.559  -0.800
  101    H    GLU  12           H        GLU  12   4.237   0.535  -1.477
  102    HA   GLU  12           HA       GLU  12   6.654   0.929  -3.187
  103    HB2  GLU  12           2HB      GLU  12   4.066   2.197  -2.775
  104    HB3  GLU  12           1HB      GLU  12   5.373   3.373  -2.647
  105    HG2  GLU  12           2HG      GLU  12   5.567   1.429  -4.888
  106    HG3  GLU  12           1HG      GLU  12   4.296   2.646  -5.012
  107    H    SER  13           H        SER  13   5.216   2.068  -0.119
  108    HA   SER  13           HA       SER  13   7.698   3.435   0.631
  109    HB2  SER  13           2HB      SER  13   5.030   3.822   1.090
  110    HB3  SER  13           1HB      SER  13   5.534   3.077   2.603
  111    HG   SER  13           HG       SER  13   5.819   5.560   1.948
  112    H    LEU  14           H        LEU  14   6.054   0.437   1.361
  113    HA   LEU  14           HA       LEU  14   7.964  -0.152   3.545
  114    HB2  LEU  14           2HB      LEU  14   5.230  -0.590   3.114
  115    HB3  LEU  14           1HB      LEU  14   5.969  -2.183   2.945
  116    HG   LEU  14           HG       LEU  14   6.617  -0.353   5.263
  117   HD11  LEU  14          1HD1      LEU  14   4.438  -2.448   5.022
  118   HD12  LEU  14          2HD1      LEU  14   4.226  -0.732   5.370
  119   HD13  LEU  14          3HD1      LEU  14   4.998  -1.784   6.557
  120   HD21  LEU  14          3HD2      LEU  14   7.161  -2.625   6.282
  121   HD22  LEU  14          1HD2      LEU  14   8.218  -2.118   4.964
  122   HD23  LEU  14          2HD2      LEU  14   6.948  -3.306   4.670
  123    H    LYS  15           H        LYS  15   8.833  -0.136   0.725
  124    HA   LYS  15           HA       LYS  15   9.009  -2.838  -0.285
  125    HB2  LYS  15           2HB      LYS  15   9.424  -0.353  -1.260
  126    HB3  LYS  15           1HB      LYS  15  11.093  -0.811  -0.918
  127    HG2  LYS  15           2HG      LYS  15  11.124  -2.428  -2.536
  128    HG3  LYS  15           1HG      LYS  15   9.436  -2.866  -2.276
  129    HD2  LYS  15           2HD      LYS  15   8.821  -0.638  -3.348
  130    HD3  LYS  15           1HD      LYS  15  10.513  -0.503  -3.830
  131    HE2  LYS  15           2HE      LYS  15   9.030  -3.043  -4.462
  132    HE3  LYS  15           1HE      LYS  15   8.791  -1.616  -5.491
  133    HZ1  LYS  15           3HZ      LYS  15  11.197  -1.400  -5.679
  134    HZ2  LYS  15           1HZ      LYS  15  10.685  -2.909  -6.259
  135    HZ3  LYS  15           2HZ      LYS  15  11.414  -2.791  -4.729
  136    H    SER  16           H        SER  16  10.990  -0.860   1.830
  137    HA   SER  16           HA       SER  16  12.245  -2.929   3.261
  138    HB2  SER  16           2HB      SER  16  13.351  -2.384   0.574
  139    HB3  SER  16           1HB      SER  16  14.556  -2.397   1.858
  140    HG   SER  16           HG       SER  16  12.635  -4.422   1.309
  141    H    PHE  17           H        PHE  17  12.453   0.224   1.822
  142    HA   PHE  17           HA       PHE  17  14.333   1.271   3.817
  143    HB2  PHE  17           2HB      PHE  17  13.615   3.444   2.467
  144    HB3  PHE  17           1HB      PHE  17  14.686   2.253   1.732
  145    HD1  PHE  17           1HD      PHE  17  10.983   2.767   2.206
  146    HD2  PHE  17           2HD      PHE  17  14.165   1.591  -0.431
  147    HE1  PHE  17           1HE      PHE  17   9.340   2.373   0.391
  148    HE2  PHE  17           2HE      PHE  17  12.522   1.201  -2.243
  149    HZ   PHE  17           HZ       PHE  17  10.110   1.593  -1.834
  150    HN1  NH2  18           2H       PHE  17  11.069   1.627   5.670
  151    HN2  NH2  18           1H       PHE  17  11.959   0.305   5.085
  Start of MODEL    8
    1    H1   MET   1           1HT      MET   1 -15.116   2.517   1.594
    2    H2   MET   1           2HT      MET   1 -13.820   3.096   2.525
    3    H3   MET   1           3HT      MET   1 -15.402   3.152   3.139
    4    HA   MET   1           HA       MET   1 -14.364   1.331   4.211
    5    HB2  MET   1           2HB      MET   1 -15.866  -0.428   3.432
    6    HB3  MET   1           1HB      MET   1 -16.692   1.124   3.310
    7    HG2  MET   1           2HG      MET   1 -15.280   0.705   0.860
    8    HG3  MET   1           1HG      MET   1 -16.162  -0.776   1.228
    9    HE1  MET   1           3HE      MET   1 -16.606   1.207  -1.262
   10    HE2  MET   1           1HE      MET   1 -16.181   2.591  -0.245
   11    HE3  MET   1           2HE      MET   1 -17.762   2.516  -1.020
   12    H    ALA   2           H        ALA   2 -13.426   1.746   0.905
   13    HA   ALA   2           HA       ALA   2 -12.048  -0.775   0.530
   14    HB1  ALA   2           1HB      ALA   2 -11.516   1.916  -0.763
   15    HB2  ALA   2           2HB      ALA   2 -12.874   0.884  -1.214
   16    HB3  ALA   2           3HB      ALA   2 -11.220   0.322  -1.456
   17    H    THR   3           H        THR   3  -9.870  -1.260   0.936
   18    HA   THR   3           HA       THR   3  -8.271   0.840   2.366
   19    HB   THR   3           HB       THR   3  -7.393  -1.136   3.687
   20    HG1  THR   3           1HG      THR   3  -9.607  -2.453   2.512
   21   HG21  THR   3          3HG2      THR   3  -9.850  -1.527   4.721
   22   HG22  THR   3          1HG2      THR   3 -10.181  -0.105   3.731
   23   HG23  THR   3          2HG2      THR   3  -8.936  -0.039   4.978
   24    H    LEU   4           H        LEU   4  -8.053   0.470  -0.422
   25    HA   LEU   4           HA       LEU   4  -5.925  -1.394  -1.072
   26    HB2  LEU   4           2HB      LEU   4  -7.272   0.937  -2.459
   27    HB3  LEU   4           1HB      LEU   4  -6.001  -0.010  -3.232
   28    HG   LEU   4           HG       LEU   4  -8.204  -1.561  -1.981
   29   HD11  LEU   4          1HD1      LEU   4  -8.583  -0.006  -4.560
   30   HD12  LEU   4          2HD1      LEU   4  -9.424   0.316  -3.044
   31   HD13  LEU   4          3HD1      LEU   4  -9.701  -1.200  -3.900
   32   HD21  LEU   4          3HD2      LEU   4  -6.888  -1.723  -4.709
   33   HD22  LEU   4          1HD2      LEU   4  -7.830  -2.980  -3.908
   34   HD23  LEU   4          2HD2      LEU   4  -6.254  -2.517  -3.267
   35    H    GLU   5           H        GLU   5  -6.061   2.197  -0.845
   36    HA   GLU   5           HA       GLU   5  -3.288   2.661  -1.236
   37    HB2  GLU   5           2HB      GLU   5  -5.655   4.051  -0.168
   38    HB3  GLU   5           1HB      GLU   5  -4.137   4.614   0.535
   39    HG2  GLU   5           2HG      GLU   5  -3.236   5.155  -1.616
   40    HG3  GLU   5           1HG      GLU   5  -4.541   4.309  -2.448
   41    H    LYS   6           H        LYS   6  -5.114   1.873   1.697
   42    HA   LYS   6           HA       LYS   6  -2.960   2.150   3.559
   43    HB2  LYS   6           2HB      LYS   6  -5.640   1.555   3.614
   44    HB3  LYS   6           1HB      LYS   6  -4.929  -0.017   3.982
   45    HG2  LYS   6           2HG      LYS   6  -3.453   1.293   5.674
   46    HG3  LYS   6           1HG      LYS   6  -4.656   2.571   5.502
   47    HD2  LYS   6           2HD      LYS   6  -5.704  -0.175   5.954
   48    HD3  LYS   6           1HD      LYS   6  -4.892   0.590   7.320
   49    HE2  LYS   6           2HE      LYS   6  -6.832   2.292   5.827
   50    HE3  LYS   6           1HE      LYS   6  -7.513   0.990   6.821
   51    HZ1  LYS   6           3HZ      LYS   6  -5.490   2.970   7.732
   52    HZ2  LYS   6           1HZ      LYS   6  -6.158   1.728   8.674
   53    HZ3  LYS   6           2HZ      LYS   6  -7.141   3.003   8.133
   54    H    LEU   7           H        LEU   7  -3.524  -0.073   0.996
   55    HA   LEU   7           HA       LEU   7  -1.670  -2.067   2.161
   56    HB2  LEU   7           2HB      LEU   7  -3.080  -3.583   1.207
   57    HB3  LEU   7           1HB      LEU   7  -4.175  -2.232   0.947
   58    HG   LEU   7           HG       LEU   7  -2.844  -1.842  -1.239
   59   HD11  LEU   7          1HD1      LEU   7  -2.214  -4.453  -1.872
   60   HD12  LEU   7          2HD1      LEU   7  -1.652  -4.322  -0.206
   61   HD13  LEU   7          3HD1      LEU   7  -1.045  -3.210  -1.432
   62   HD21  LEU   7          3HD2      LEU   7  -4.575  -2.879  -2.298
   63   HD22  LEU   7          1HD2      LEU   7  -5.163  -3.169  -0.661
   64   HD23  LEU   7          2HD2      LEU   7  -4.259  -4.423  -1.508
   65    H    MET   8           H        MET   8  -2.232   0.097  -0.569
   66    HA   MET   8           HA       MET   8  -0.070  -0.780  -2.239
   67    HB2  MET   8           2HB      MET   8  -2.060   0.602  -2.888
   68    HB3  MET   8           1HB      MET   8  -1.363   1.951  -1.990
   69    HG2  MET   8           2HG      MET   8  -0.484   2.440  -4.057
   70    HG3  MET   8           1HG      MET   8   0.767   1.329  -3.500
   71    HE1  MET   8           3HE      MET   8  -2.745   0.959  -6.112
   72    HE2  MET   8           1HE      MET   8  -1.370   1.602  -7.020
   73    HE3  MET   8           2HE      MET   8  -1.855   2.349  -5.500
   74    H    LYS   9           H        LYS   9  -0.306   1.723   0.285
   75    HA   LYS   9           HA       LYS   9   2.161   3.027   0.003
   76    HB2  LYS   9           2HB      LYS   9   0.118   2.646   1.972
   77    HB3  LYS   9           1HB      LYS   9   1.676   2.477   2.778
   78    HG2  LYS   9           2HG      LYS   9   1.036   4.821   2.814
   79    HG3  LYS   9           1HG      LYS   9   2.402   4.625   1.716
   80    HD2  LYS   9           2HD      LYS   9   0.387   4.238  -0.032
   81    HD3  LYS   9           1HD      LYS   9  -0.432   5.301   1.112
   82    HE2  LYS   9           2HE      LYS   9   1.293   7.001   0.860
   83    HE3  LYS   9           1HE      LYS   9   2.257   5.917  -0.163
   84    HZ1  LYS   9           3HZ      LYS   9  -0.519   6.799  -0.753
   85    HZ2  LYS   9           1HZ      LYS   9   0.441   5.800  -1.731
   86    HZ3  LYS   9           2HZ      LYS   9   0.877   7.425  -1.492
   87    H    ALA  10           H        ALA  10   1.524  -0.229   1.140
   88    HA   ALA  10           HA       ALA  10   4.172  -0.682   2.269
   89    HB1  ALA  10           1HB      ALA  10   1.772  -1.761   2.665
   90    HB2  ALA  10           2HB      ALA  10   3.236  -2.720   2.878
   91    HB3  ALA  10           3HB      ALA  10   2.309  -2.848   1.383
   92    H    PHE  11           H        PHE  11   2.751  -0.826  -0.882
   93    HA   PHE  11           HA       PHE  11   4.794  -2.692  -1.924
   94    HB2  PHE  11           2HB      PHE  11   2.392  -1.247  -3.085
   95    HB3  PHE  11           1HB      PHE  11   3.404  -2.351  -4.013
   96    HD1  PHE  11           2HD      PHE  11   1.924  -2.427  -0.544
   97    HD2  PHE  11           1HD      PHE  11   2.378  -4.417  -4.321
   98    HE1  PHE  11           2HE      PHE  11   0.622  -4.334   0.320
   99    HE2  PHE  11           1HE      PHE  11   1.064  -6.332  -3.453
  100    HZ   PHE  11           HZ       PHE  11   0.189  -6.298  -1.137
  101    H    GLU  12           H        GLU  12   4.692   0.518  -1.183
  102    HA   GLU  12           HA       GLU  12   6.686   1.189  -3.317
  103    HB2  GLU  12           2HB      GLU  12   4.012   2.180  -2.930
  104    HB3  GLU  12           1HB      GLU  12   5.153   3.496  -2.649
  105    HG2  GLU  12           2HG      GLU  12   5.870   3.523  -4.825
  106    HG3  GLU  12           1HG      GLU  12   5.702   1.776  -5.009
  107    H    SER  13           H        SER  13   5.283   2.029  -0.154
  108    HA   SER  13           HA       SER  13   7.611   3.687   0.530
  109    HB2  SER  13           2HB      SER  13   5.282   2.946   2.288
  110    HB3  SER  13           1HB      SER  13   6.261   4.408   2.341
  111    HG   SER  13           HG       SER  13   4.268   3.634   0.509
  112    H    LEU  14           H        LEU  14   6.474   0.456   1.076
  113    HA   LEU  14           HA       LEU  14   7.785  -0.129   3.545
  114    HB2  LEU  14           2HB      LEU  14   6.014  -1.449   2.322
  115    HB3  LEU  14           1HB      LEU  14   7.270  -1.976   1.202
  116    HG   LEU  14           HG       LEU  14   8.561  -2.862   3.165
  117   HD11  LEU  14          1HD1      LEU  14   6.816  -3.253   5.167
  118   HD12  LEU  14          2HD1      LEU  14   6.180  -1.725   4.555
  119   HD13  LEU  14          3HD1      LEU  14   7.855  -1.828   5.098
  120   HD21  LEU  14          3HD2      LEU  14   7.457  -4.600   2.109
  121   HD22  LEU  14          1HD2      LEU  14   5.871  -3.857   2.318
  122   HD23  LEU  14          2HD2      LEU  14   6.652  -4.663   3.677
  123    H    LYS  15           H        LYS  15   9.126   0.536   0.454
  124    HA   LYS  15           HA       LYS  15  11.460  -1.176   0.590
  125    HB2  LYS  15           2HB      LYS  15  10.209   0.622  -1.194
  126    HB3  LYS  15           1HB      LYS  15  11.816   1.284  -0.899
  127    HG2  LYS  15           2HG      LYS  15  12.688  -0.255  -2.287
  128    HG3  LYS  15           1HG      LYS  15  12.122  -1.529  -1.208
  129    HD2  LYS  15           2HD      LYS  15  10.214  -1.927  -2.450
  130    HD3  LYS  15           1HD      LYS  15  10.131  -0.271  -3.049
  131    HE2  LYS  15           2HE      LYS  15  11.614  -0.678  -4.785
  132    HE3  LYS  15           1HE      LYS  15  12.472  -1.947  -3.888
  133    HZ1  LYS  15           3HZ      LYS  15  10.403  -3.285  -4.015
  134    HZ2  LYS  15           1HZ      LYS  15  11.112  -3.001  -5.530
  135    HZ3  LYS  15           2HZ      LYS  15   9.744  -2.113  -5.053
  136    H    SER  16           H        SER  16  11.286   2.377   0.804
  137    HA   SER  16           HA       SER  16  12.484   2.831   3.297
  138    HB2  SER  16           2HB      SER  16  14.308   1.767   1.244
  139    HB3  SER  16           1HB      SER  16  14.896   3.241   2.006
  140    HG   SER  16           HG       SER  16  13.918   0.969   3.402
  141    H    PHE  17           H        PHE  17  11.947   3.768   0.029
  142    HA   PHE  17           HA       PHE  17  13.075   6.325  -0.186
  143    HB2  PHE  17           2HB      PHE  17  10.260   5.806  -1.109
  144    HB3  PHE  17           1HB      PHE  17  11.583   6.588  -1.966
  145    HD1  PHE  17           1HD      PHE  17  13.786   4.740  -1.857
  146    HD2  PHE  17           2HD      PHE  17   9.593   3.904  -2.272
  147    HE1  PHE  17           1HE      PHE  17  14.324   2.579  -2.951
  148    HE2  PHE  17           2HE      PHE  17  10.131   1.745  -3.368
  149    HZ   PHE  17           HZ       PHE  17  12.496   1.086  -3.712
  150    HN1  NH2  18           2H       PHE  17  11.358   8.546   1.952
  151    HN2  NH2  18           1H       PHE  17  12.714   8.236   0.979
  Start of MODEL    9
    1    H1   MET   1           1HT      MET   1  -9.628  -5.852   1.254
    2    H2   MET   1           2HT      MET   1 -10.066  -7.452   1.624
    3    H3   MET   1           3HT      MET   1  -9.440  -6.437   2.835
    4    HA   MET   1           HA       MET   1 -12.098  -6.284   1.521
    5    HB2  MET   1           2HB      MET   1 -10.884  -7.011   4.141
    6    HB3  MET   1           1HB      MET   1 -12.427  -6.159   4.201
    7    HG2  MET   1           2HG      MET   1 -12.287  -8.342   2.210
    8    HG3  MET   1           1HG      MET   1 -12.190  -8.864   3.891
    9    HE1  MET   1           3HE      MET   1 -14.092  -6.868   1.224
   10    HE2  MET   1           1HE      MET   1 -13.930  -5.650   2.495
   11    HE3  MET   1           2HE      MET   1 -15.522  -6.271   2.062
   12    H    ALA   2           H        ALA   2  -9.659  -4.561   3.448
   13    HA   ALA   2           HA       ALA   2 -10.961  -1.986   2.723
   14    HB1  ALA   2           1HB      ALA   2 -11.753  -3.055   4.976
   15    HB2  ALA   2           2HB      ALA   2 -11.302  -1.350   4.966
   16    HB3  ALA   2           3HB      ALA   2 -10.169  -2.558   5.574
   17    H    THR   3           H        THR   3  -9.391  -0.334   4.320
   18    HA   THR   3           HA       THR   3  -7.297   0.764   4.163
   19    HB   THR   3           HB       THR   3  -5.520  -0.670   5.107
   20    HG1  THR   3           1HG      THR   3  -5.926  -2.544   3.942
   21   HG21  THR   3          3HG2      THR   3  -6.530  -0.906   7.170
   22   HG22  THR   3          1HG2      THR   3  -7.993  -1.617   6.489
   23   HG23  THR   3          2HG2      THR   3  -7.722   0.123   6.374
   24    H    LEU   4           H        LEU   4  -8.112   0.310   1.584
   25    HA   LEU   4           HA       LEU   4  -6.388  -1.321  -0.013
   26    HB2  LEU   4           2HB      LEU   4  -8.102   1.126  -0.490
   27    HB3  LEU   4           1HB      LEU   4  -7.216   0.352  -1.804
   28    HG   LEU   4           HG       LEU   4  -9.154  -1.102   0.017
   29   HD11  LEU   4          1HD1      LEU   4  -9.918   0.768  -1.777
   30   HD12  LEU   4          2HD1      LEU   4 -10.854  -0.694  -1.469
   31   HD13  LEU   4          3HD1      LEU   4  -9.767  -0.620  -2.855
   32   HD21  LEU   4          3HD2      LEU   4  -7.725  -2.729  -0.866
   33   HD22  LEU   4          1HD2      LEU   4  -7.469  -1.834  -2.363
   34   HD23  LEU   4          2HD2      LEU   4  -8.994  -2.673  -2.090
   35    H    GLU   5           H        GLU   5  -6.310   2.227   0.557
   36    HA   GLU   5           HA       GLU   5  -3.837   2.696  -0.766
   37    HB2  GLU   5           2HB      GLU   5  -5.536   4.387   0.024
   38    HB3  GLU   5           1HB      GLU   5  -4.978   4.102   1.673
   39    HG2  GLU   5           2HG      GLU   5  -2.656   4.564   0.109
   40    HG3  GLU   5           1HG      GLU   5  -3.824   5.805  -0.346
   41    H    LYS   6           H        LYS   6  -4.583   1.635   2.511
   42    HA   LYS   6           HA       LYS   6  -1.924   1.812   3.575
   43    HB2  LYS   6           2HB      LYS   6  -4.489   1.149   4.435
   44    HB3  LYS   6           1HB      LYS   6  -3.614  -0.377   4.559
   45    HG2  LYS   6           2HG      LYS   6  -1.818   0.806   5.834
   46    HG3  LYS   6           1HG      LYS   6  -2.802   2.270   5.796
   47    HD2  LYS   6           2HD      LYS   6  -4.665   0.868   6.856
   48    HD3  LYS   6           1HD      LYS   6  -3.431  -0.356   7.156
   49    HE2  LYS   6           2HE      LYS   6  -2.899   0.770   9.053
   50    HE3  LYS   6           1HE      LYS   6  -2.306   2.093   8.029
   51    HZ1  LYS   6           3HZ      LYS   6  -5.157   1.695   8.764
   52    HZ2  LYS   6           1HZ      LYS   6  -4.501   3.009   7.916
   53    HZ3  LYS   6           2HZ      LYS   6  -4.115   2.779   9.555
   54    H    LEU   7           H        LEU   7  -3.354  -0.224   1.209
   55    HA   LEU   7           HA       LEU   7  -1.371  -2.378   1.632
   56    HB2  LEU   7           2HB      LEU   7  -3.020  -3.725   0.801
   57    HB3  LEU   7           1HB      LEU   7  -4.071  -2.345   1.095
   58    HG   LEU   7           HG       LEU   7  -3.318  -1.588  -1.295
   59   HD11  LEU   7          1HD1      LEU   7  -1.870  -3.000  -2.294
   60   HD12  LEU   7          2HD1      LEU   7  -3.192  -4.162  -2.398
   61   HD13  LEU   7          3HD1      LEU   7  -2.082  -4.208  -1.028
   62   HD21  LEU   7          3HD2      LEU   7  -5.021  -3.891  -1.760
   63   HD22  LEU   7          1HD2      LEU   7  -5.438  -2.178  -1.793
   64   HD23  LEU   7          2HD2      LEU   7  -5.485  -3.069  -0.271
   65    H    MET   8           H        MET   8  -2.247   0.228  -0.531
   66    HA   MET   8           HA       MET   8  -0.527  -0.615  -2.722
   67    HB2  MET   8           2HB      MET   8  -2.514   1.409  -2.088
   68    HB3  MET   8           1HB      MET   8  -1.135   2.126  -2.921
   69    HG2  MET   8           2HG      MET   8  -1.466   0.870  -4.844
   70    HG3  MET   8           1HG      MET   8  -2.266  -0.439  -3.976
   71    HE1  MET   8           3HE      MET   8  -2.780   0.601  -6.505
   72    HE2  MET   8           1HE      MET   8  -3.726   2.076  -6.746
   73    HE3  MET   8           2HE      MET   8  -4.539   0.522  -6.580
   74    H    LYS   9           H        LYS   9  -0.437   2.293  -0.627
   75    HA   LYS   9           HA       LYS   9   2.196   3.114  -1.223
   76    HB2  LYS   9           2HB      LYS   9   0.134   3.552   0.809
   77    HB3  LYS   9           1HB      LYS   9   1.762   3.744   1.460
   78    HG2  LYS   9           2HG      LYS   9   1.469   5.872   0.633
   79    HG3  LYS   9           1HG      LYS   9   2.088   5.102  -0.830
   80    HD2  LYS   9           2HD      LYS   9  -0.283   4.622  -1.504
   81    HD3  LYS   9           1HD      LYS   9  -0.821   5.569  -0.116
   82    HE2  LYS   9           2HE      LYS   9   0.906   7.344  -1.214
   83    HE3  LYS   9           1HE      LYS   9   0.369   6.495  -2.678
   84    HZ1  LYS   9           3HZ      LYS   9  -1.911   6.810  -2.023
   85    HZ2  LYS   9           1HZ      LYS   9  -1.140   8.319  -2.053
   86    HZ3  LYS   9           2HZ      LYS   9  -1.440   7.551  -0.568
   87    H    ALA  10           H        ALA  10   1.095   0.467   0.777
   88    HA   ALA  10           HA       ALA  10   3.410   0.110   2.413
   89    HB1  ALA  10           1HB      ALA  10   1.044  -1.437   1.492
   90    HB2  ALA  10           2HB      ALA  10   1.637  -1.163   3.131
   91    HB3  ALA  10           3HB      ALA  10   2.397  -2.386   2.111
   92    H    PHE  11           H        PHE  11   2.518  -1.280  -0.762
   93    HA   PHE  11           HA       PHE  11   4.902  -2.867  -1.058
   94    HB2  PHE  11           2HB      PHE  11   3.041  -1.675  -3.137
   95    HB3  PHE  11           1HB      PHE  11   4.074  -3.084  -3.352
   96    HD1  PHE  11           1HD      PHE  11   3.398  -3.916  -0.273
   97    HD2  PHE  11           2HD      PHE  11   1.112  -3.112  -3.824
   98    HE1  PHE  11           1HE      PHE  11   1.569  -5.359   0.573
   99    HE2  PHE  11           2HE      PHE  11  -0.713  -4.555  -2.974
  100    HZ   PHE  11           HZ       PHE  11  -0.485  -5.679  -0.777
  101    H    GLU  12           H        GLU  12   4.211   0.513  -1.533
  102    HA   GLU  12           HA       GLU  12   6.625   0.907  -3.226
  103    HB2  GLU  12           2HB      GLU  12   4.056   2.148  -2.810
  104    HB3  GLU  12           1HB      GLU  12   5.325   3.344  -2.549
  105    HG2  GLU  12           2HG      GLU  12   5.356   1.521  -4.954
  106    HG3  GLU  12           1HG      GLU  12   4.467   3.044  -4.964
  107    H    SER  13           H        SER  13   5.281   2.059  -0.118
  108    HA   SER  13           HA       SER  13   7.811   3.355   0.588
  109    HB2  SER  13           2HB      SER  13   5.270   2.947   2.177
  110    HB3  SER  13           1HB      SER  13   6.528   4.135   2.502
  111    HG   SER  13           HG       SER  13   4.485   4.159   0.664
  112    H    LEU  14           H        LEU  14   6.022   0.461   1.473
  113    HA   LEU  14           HA       LEU  14   8.018  -0.213   3.544
  114    HB2  LEU  14           2HB      LEU  14   5.224  -0.616   3.108
  115    HB3  LEU  14           1HB      LEU  14   5.988  -2.203   3.185
  116    HG   LEU  14           HG       LEU  14   5.314  -1.473   5.431
  117   HD11  LEU  14          1HD1      LEU  14   7.542  -2.711   4.928
  118   HD12  LEU  14          2HD1      LEU  14   7.329  -2.000   6.528
  119   HD13  LEU  14          3HD1      LEU  14   8.310  -1.172   5.319
  120   HD21  LEU  14          3HD2      LEU  14   5.321   0.799   5.667
  121   HD22  LEU  14          1HD2      LEU  14   6.650   1.013   4.529
  122   HD23  LEU  14          2HD2      LEU  14   6.983   0.546   6.196
  123    H    LYS  15           H        LYS  15   9.100  -0.263   0.965
  124    HA   LYS  15           HA       LYS  15   8.955  -2.942  -0.188
  125    HB2  LYS  15           2HB      LYS  15   9.512  -0.542  -1.179
  126    HB3  LYS  15           1HB      LYS  15  11.158  -0.990  -0.728
  127    HG2  LYS  15           2HG      LYS  15  10.322  -3.288  -1.939
  128    HG3  LYS  15           1HG      LYS  15   9.426  -2.082  -2.864
  129    HD2  LYS  15           2HD      LYS  15  11.520  -0.853  -3.299
  130    HD3  LYS  15           1HD      LYS  15  12.419  -2.057  -2.376
  131    HE2  LYS  15           2HE      LYS  15  12.181  -3.693  -4.018
  132    HE3  LYS  15           1HE      LYS  15  10.681  -2.982  -4.648
  133    HZ1  LYS  15           3HZ      LYS  15  12.704  -2.559  -6.041
  134    HZ2  LYS  15           1HZ      LYS  15  13.311  -1.613  -4.771
  135    HZ3  LYS  15           2HZ      LYS  15  11.871  -1.161  -5.553
  136    H    SER  16           H        SER  16  11.473  -1.097   1.528
  137    HA   SER  16           HA       SER  16  12.416  -3.208   3.169
  138    HB2  SER  16           2HB      SER  16  13.233  -3.257   0.350
  139    HB3  SER  16           1HB      SER  16  14.599  -3.304   1.461
  140    HG   SER  16           HG       SER  16  12.799  -5.222   0.862
  141    H    PHE  17           H        PHE  17  12.755  -0.151   1.691
  142    HA   PHE  17           HA       PHE  17  15.249   0.870   2.274
  143    HB2  PHE  17           2HB      PHE  17  12.864   2.434   3.195
  144    HB3  PHE  17           1HB      PHE  17  14.214   2.950   2.196
  145    HD1  PHE  17           1HD      PHE  17  14.384   1.844  -0.184
  146    HD2  PHE  17           2HD      PHE  17  10.816   1.923   2.203
  147    HE1  PHE  17           1HE      PHE  17  13.017   1.439  -2.214
  148    HE2  PHE  17           2HE      PHE  17   9.449   1.519   0.175
  149    HZ   PHE  17           HZ       PHE  17  10.550   1.278  -2.034
  150    HN1  NH2  18           2H       PHE  17  15.800   0.438   5.750
  151    HN2  NH2  18           1H       PHE  17  16.359   0.153   4.174
  Start of MODEL   10
    1    H1   MET   1           1HT      MET   1 -14.539   0.209   6.456
    2    H2   MET   1           2HT      MET   1 -14.303   0.991   7.945
    3    H3   MET   1           3HT      MET   1 -13.044   0.087   7.246
    4    HA   MET   1           HA       MET   1 -14.210   2.498   5.956
    5    HB2  MET   1           2HB      MET   1 -13.168   2.702   8.325
    6    HB3  MET   1           1HB      MET   1 -11.638   2.334   7.530
    7    HG2  MET   1           2HG      MET   1 -11.904   4.248   6.041
    8    HG3  MET   1           1HG      MET   1 -13.498   4.587   6.717
    9    HE1  MET   1           3HE      MET   1  -9.903   5.328   6.716
   10    HE2  MET   1           1HE      MET   1  -9.955   6.717   7.810
   11    HE3  MET   1           2HE      MET   1 -11.067   6.624   6.448
   12    H    ALA   2           H        ALA   2 -13.159  -0.305   5.109
   13    HA   ALA   2           HA       ALA   2 -11.777  -1.171   3.400
   14    HB1  ALA   2           1HB      ALA   2 -11.439   1.620   2.374
   15    HB2  ALA   2           2HB      ALA   2 -13.077   0.974   2.483
   16    HB3  ALA   2           3HB      ALA   2 -11.868   0.151   1.496
   17    H    THR   3           H        THR   3  -9.523  -0.670   2.259
   18    HA   THR   3           HA       THR   3  -7.628   0.981   3.719
   19    HB   THR   3           HB       THR   3  -8.027  -0.782   5.379
   20    HG1  THR   3           1HG      THR   3  -5.907  -1.394   5.619
   21   HG21  THR   3          3HG2      THR   3  -7.288  -2.647   3.108
   22   HG22  THR   3          1HG2      THR   3  -8.850  -2.542   3.921
   23   HG23  THR   3          2HG2      THR   3  -7.441  -3.145   4.794
   24    H    LEU   4           H        LEU   4  -8.235   0.676   0.973
   25    HA   LEU   4           HA       LEU   4  -6.441  -1.127  -0.375
   26    HB2  LEU   4           2HB      LEU   4  -7.974   1.372  -1.114
   27    HB3  LEU   4           1HB      LEU   4  -6.978   0.519  -2.293
   28    HG   LEU   4           HG       LEU   4  -8.647  -1.358  -0.847
   29   HD11  LEU   4          1HD1      LEU   4 -10.779  -0.465  -2.066
   30   HD12  LEU   4          2HD1      LEU   4  -9.950   1.091  -2.016
   31   HD13  LEU   4          3HD1      LEU   4 -10.328   0.245  -0.516
   32   HD21  LEU   4          3HD2      LEU   4  -9.239  -2.046  -3.097
   33   HD22  LEU   4          1HD2      LEU   4  -7.523  -1.643  -3.083
   34   HD23  LEU   4          2HD2      LEU   4  -8.689  -0.506  -3.758
   35    H    GLU   5           H        GLU   5  -6.273   2.431   0.124
   36    HA   GLU   5           HA       GLU   5  -3.665   2.788  -0.929
   37    HB2  GLU   5           2HB      GLU   5  -5.557   4.196   0.869
   38    HB3  GLU   5           1HB      GLU   5  -3.870   4.683   1.030
   39    HG2  GLU   5           2HG      GLU   5  -3.761   5.055  -1.422
   40    HG3  GLU   5           1HG      GLU   5  -5.469   4.630  -1.546
   41    H    LYS   6           H        LYS   6  -4.759   1.793   2.273
   42    HA   LYS   6           HA       LYS   6  -2.199   1.876   3.569
   43    HB2  LYS   6           2HB      LYS   6  -4.898   1.216   4.140
   44    HB3  LYS   6           1HB      LYS   6  -3.950  -0.219   4.531
   45    HG2  LYS   6           2HG      LYS   6  -3.663   0.889   6.518
   46    HG3  LYS   6           1HG      LYS   6  -2.356   1.665   5.622
   47    HD2  LYS   6           2HD      LYS   6  -3.864   3.509   4.997
   48    HD3  LYS   6           1HD      LYS   6  -5.182   2.735   5.876
   49    HE2  LYS   6           2HE      LYS   6  -4.439   4.121   7.568
   50    HE3  LYS   6           1HE      LYS   6  -3.294   2.791   7.831
   51    HZ1  LYS   6           3HZ      LYS   6  -1.759   3.842   6.296
   52    HZ2  LYS   6           1HZ      LYS   6  -2.133   4.906   7.562
   53    HZ3  LYS   6           2HZ      LYS   6  -2.849   5.119   6.037
   54    H    LEU   7           H        LEU   7  -3.486  -0.129   1.103
   55    HA   LEU   7           HA       LEU   7  -1.659  -2.365   1.749
   56    HB2  LEU   7           2HB      LEU   7  -3.280  -3.652   0.787
   57    HB3  LEU   7           1HB      LEU   7  -4.290  -2.222   0.960
   58    HG   LEU   7           HG       LEU   7  -3.283  -1.546  -1.361
   59   HD11  LEU   7          1HD1      LEU   7  -1.786  -3.769  -1.028
   60   HD12  LEU   7          2HD1      LEU   7  -2.245  -3.160  -2.617
   61   HD13  LEU   7          3HD1      LEU   7  -3.162  -4.472  -1.877
   62   HD21  LEU   7          3HD2      LEU   7  -5.033  -3.770  -1.972
   63   HD22  LEU   7          1HD2      LEU   7  -5.381  -2.042  -2.027
   64   HD23  LEU   7          2HD2      LEU   7  -5.598  -2.937  -0.524
   65    H    MET   8           H        MET   8  -2.198   0.231  -0.536
   66    HA   MET   8           HA       MET   8  -0.268  -0.753  -2.497
   67    HB2  MET   8           2HB      MET   8  -2.368   0.617  -2.926
   68    HB3  MET   8           1HB      MET   8  -1.521   1.987  -2.208
   69    HG2  MET   8           2HG      MET   8   0.039   2.106  -3.943
   70    HG3  MET   8           1HG      MET   8  -0.212   0.425  -4.415
   71    HE1  MET   8           3HE      MET   8  -1.336   0.265  -6.999
   72    HE2  MET   8           1HE      MET   8   0.033   1.302  -6.575
   73    HE3  MET   8           2HE      MET   8  -1.258   1.918  -7.604
   74    H    LYS   9           H        LYS   9  -0.421   1.972  -0.179
   75    HA   LYS   9           HA       LYS   9   2.105   3.123  -0.617
   76    HB2  LYS   9           2HB      LYS   9   0.093   2.936   1.519
   77    HB3  LYS   9           1HB      LYS   9   1.721   3.246   2.124
   78    HG2  LYS   9           2HG      LYS   9   1.825   5.322   1.173
   79    HG3  LYS   9           1HG      LYS   9   0.911   4.827  -0.252
   80    HD2  LYS   9           2HD      LYS   9  -1.098   4.655   1.422
   81    HD3  LYS   9           1HD      LYS   9  -0.111   5.712   2.433
   82    HE2  LYS   9           2HE      LYS   9  -1.416   7.222   1.140
   83    HE3  LYS   9           1HE      LYS   9   0.130   7.164   0.270
   84    HZ1  LYS   9           3HZ      LYS   9  -2.124   5.321  -0.298
   85    HZ2  LYS   9           1HZ      LYS   9  -0.714   5.542  -1.215
   86    HZ3  LYS   9           2HZ      LYS   9  -1.883   6.773  -1.147
   87    H    ALA  10           H        ALA  10   1.306   0.089   0.942
   88    HA   ALA  10           HA       ALA  10   3.816  -0.292   2.316
   89    HB1  ALA  10           1HB      ALA  10   2.157  -1.649   3.161
   90    HB2  ALA  10           2HB      ALA  10   2.817  -2.779   1.979
   91    HB3  ALA  10           3HB      ALA  10   1.378  -1.837   1.590
   92    H    PHE  11           H        PHE  11   2.583  -1.144  -0.904
   93    HA   PHE  11           HA       PHE  11   4.866  -2.785  -1.625
   94    HB2  PHE  11           2HB      PHE  11   2.784  -1.357  -3.305
   95    HB3  PHE  11           1HB      PHE  11   3.788  -2.702  -3.833
   96    HD1  PHE  11           1HD      PHE  11   3.425  -3.828  -0.733
   97    HD2  PHE  11           2HD      PHE  11   0.862  -2.857  -4.045
   98    HE1  PHE  11           1HE      PHE  11   1.719  -5.409   0.120
   99    HE2  PHE  11           2HE      PHE  11  -0.841  -4.440  -3.188
  100    HZ   PHE  11           HZ       PHE  11  -0.412  -5.717  -1.107
  101    H    GLU  12           H        GLU  12   4.434   0.580  -1.311
  102    HA   GLU  12           HA       GLU  12   6.686   1.114  -3.223
  103    HB2  GLU  12           2HB      GLU  12   4.063   2.252  -2.807
  104    HB3  GLU  12           1HB      GLU  12   5.292   3.488  -2.542
  105    HG2  GLU  12           2HG      GLU  12   6.133   3.308  -4.719
  106    HG3  GLU  12           1HG      GLU  12   5.482   1.683  -4.941
  107    H    SER  13           H        SER  13   5.290   1.998  -0.061
  108    HA   SER  13           HA       SER  13   7.708   3.501   0.662
  109    HB2  SER  13           2HB      SER  13   5.107   3.881   1.156
  110    HB3  SER  13           1HB      SER  13   5.499   2.914   2.575
  111    HG   SER  13           HG       SER  13   6.232   5.483   1.902
  112    H    LEU  14           H        LEU  14   6.341   0.349   1.230
  113    HA   LEU  14           HA       LEU  14   8.054  -0.172   3.557
  114    HB2  LEU  14           2HB      LEU  14   5.606  -1.025   2.784
  115    HB3  LEU  14           1HB      LEU  14   6.595  -2.354   2.175
  116    HG   LEU  14           HG       LEU  14   7.682  -2.449   4.469
  117   HD11  LEU  14          1HD1      LEU  14   5.897  -1.462   6.200
  118   HD12  LEU  14          2HD1      LEU  14   5.627  -0.322   4.882
  119   HD13  LEU  14          3HD1      LEU  14   7.233  -0.484   5.593
  120   HD21  LEU  14          3HD2      LEU  14   4.819  -3.104   3.869
  121   HD22  LEU  14          1HD2      LEU  14   5.412  -3.359   5.511
  122   HD23  LEU  14          2HD2      LEU  14   6.178  -4.191   4.157
  123    H    LYS  15           H        LYS  15   9.030   0.247   0.592
  124    HA   LYS  15           HA       LYS  15  10.172  -2.195  -0.343
  125    HB2  LYS  15           2HB      LYS  15   9.931   0.316  -1.259
  126    HB3  LYS  15           1HB      LYS  15  11.600   0.390  -0.692
  127    HG2  LYS  15           2HG      LYS  15  11.939  -0.395  -2.846
  128    HG3  LYS  15           1HG      LYS  15  11.788  -1.923  -1.978
  129    HD2  LYS  15           2HD      LYS  15   9.187  -1.484  -2.491
  130    HD3  LYS  15           1HD      LYS  15   9.886  -0.619  -3.860
  131    HE2  LYS  15           2HE      LYS  15  11.164  -2.630  -4.502
  132    HE3  LYS  15           1HE      LYS  15  10.481  -3.506  -3.118
  133    HZ1  LYS  15           3HZ      LYS  15   8.985  -2.296  -5.381
  134    HZ2  LYS  15           1HZ      LYS  15   8.248  -2.910  -3.983
  135    HZ3  LYS  15           2HZ      LYS  15   9.114  -3.949  -5.012
  136    H    SER  16           H        SER  16  11.685   0.454   1.472
  137    HA   SER  16           HA       SER  16  13.096  -1.093   3.374
  138    HB2  SER  16           2HB      SER  16  15.386  -0.658   2.012
  139    HB3  SER  16           1HB      SER  16  14.466  -2.148   1.832
  140    HG   SER  16           HG       SER  16  14.816  -0.031   0.092
  141    H    PHE  17           H        PHE  17  13.302   1.572   1.130
  142    HA   PHE  17           HA       PHE  17  14.842   3.338   2.822
  143    HB2  PHE  17           2HB      PHE  17  13.869   5.051   1.122
  144    HB3  PHE  17           1HB      PHE  17  14.912   3.775   0.501
  145    HD1  PHE  17           1HD      PHE  17  11.260   4.287   1.302
  146    HD2  PHE  17           2HD      PHE  17  14.184   2.646  -1.384
  147    HE1  PHE  17           1HE      PHE  17   9.451   3.504  -0.198
  148    HE2  PHE  17           2HE      PHE  17  12.373   1.865  -2.883
  149    HZ   PHE  17           HZ       PHE  17  10.007   2.298  -2.292
  150    HN1  NH2  18           2H       PHE  17  12.254   5.482   4.238
  151    HN2  NH2  18           1H       PHE  17  13.767   5.584   3.476
  Start of MODEL   11
    1    H1   MET   1           1HT      MET   1 -16.043  -1.004   2.881
    2    H2   MET   1           2HT      MET   1 -14.963   0.105   3.579
    3    H3   MET   1           3HT      MET   1 -15.994  -0.815   4.565
    4    HA   MET   1           HA       MET   1 -13.789  -1.757   4.674
    5    HB2  MET   1           2HB      MET   1 -16.110  -3.086   3.346
    6    HB3  MET   1           1HB      MET   1 -14.595  -3.988   3.409
    7    HG2  MET   1           2HG      MET   1 -14.605  -3.208   5.937
    8    HG3  MET   1           1HG      MET   1 -16.340  -3.056   5.661
    9    HE1  MET   1           3HE      MET   1 -16.579  -5.640   3.330
   10    HE2  MET   1           1HE      MET   1 -17.626  -4.673   4.377
   11    HE3  MET   1           2HE      MET   1 -17.545  -6.421   4.579
   12    H    ALA   2           H        ALA   2 -12.151  -0.709   3.421
   13    HA   ALA   2           HA       ALA   2 -11.714  -1.918   0.722
   14    HB1  ALA   2           1HB      ALA   2 -11.935   0.097  -0.290
   15    HB2  ALA   2           2HB      ALA   2 -10.909   0.883   0.911
   16    HB3  ALA   2           3HB      ALA   2 -12.634   0.676   1.222
   17    H    THR   3           H        THR   3 -10.094   0.573   2.721
   18    HA   THR   3           HA       THR   3  -7.847   0.721   3.442
   19    HB   THR   3           HB       THR   3  -8.085  -2.294   3.573
   20    HG1  THR   3           1HG      THR   3  -9.713  -1.975   4.833
   21   HG21  THR   3          3HG2      THR   3  -5.991  -0.749   4.231
   22   HG22  THR   3          1HG2      THR   3  -6.415  -2.197   5.144
   23   HG23  THR   3          2HG2      THR   3  -6.913  -0.609   5.727
   24    H    LEU   4           H        LEU   4  -8.150   0.674   0.621
   25    HA   LEU   4           HA       LEU   4  -6.280  -1.246  -0.526
   26    HB2  LEU   4           2HB      LEU   4  -8.008   1.025  -1.418
   27    HB3  LEU   4           1HB      LEU   4  -6.690   0.530  -2.482
   28    HG   LEU   4           HG       LEU   4  -8.312  -1.679  -1.356
   29   HD11  LEU   4          1HD1      LEU   4  -9.450   0.489  -3.086
   30   HD12  LEU   4          2HD1      LEU   4 -10.227  -0.439  -1.803
   31   HD13  LEU   4          3HD1      LEU   4  -9.944  -1.177  -3.379
   32   HD21  LEU   4          3HD2      LEU   4  -7.873  -1.334  -4.267
   33   HD22  LEU   4          1HD2      LEU   4  -7.587  -2.743  -3.245
   34   HD23  LEU   4          2HD2      LEU   4  -6.406  -1.434  -3.291
   35    H    GLU   5           H        GLU   5  -6.268   2.324  -0.107
   36    HA   GLU   5           HA       GLU   5  -3.614   2.768  -0.989
   37    HB2  GLU   5           2HB      GLU   5  -5.675   4.120   0.643
   38    HB3  GLU   5           1HB      GLU   5  -4.025   4.648   0.975
   39    HG2  GLU   5           2HG      GLU   5  -3.662   5.255  -1.315
   40    HG3  GLU   5           1HG      GLU   5  -5.152   4.463  -1.826
   41    H    LYS   6           H        LYS   6  -4.862   1.827   2.181
   42    HA   LYS   6           HA       LYS   6  -2.378   1.975   3.607
   43    HB2  LYS   6           2HB      LYS   6  -5.103   1.187   4.006
   44    HB3  LYS   6           1HB      LYS   6  -4.074  -0.126   4.577
   45    HG2  LYS   6           2HG      LYS   6  -2.838   1.397   6.012
   46    HG3  LYS   6           1HG      LYS   6  -3.718   2.781   5.362
   47    HD2  LYS   6           2HD      LYS   6  -5.029   2.436   7.210
   48    HD3  LYS   6           1HD      LYS   6  -5.806   1.258   6.152
   49    HE2  LYS   6           2HE      LYS   6  -5.009  -0.514   7.353
   50    HE3  LYS   6           1HE      LYS   6  -3.416   0.239   7.571
   51    HZ1  LYS   6           3HZ      LYS   6  -4.821   0.091   9.635
   52    HZ2  LYS   6           1HZ      LYS   6  -5.865   1.222   8.925
   53    HZ3  LYS   6           2HZ      LYS   6  -4.254   1.647   9.254
   54    H    LEU   7           H        LEU   7  -3.476  -0.111   1.113
   55    HA   LEU   7           HA       LEU   7  -1.601  -2.262   1.906
   56    HB2  LEU   7           2HB      LEU   7  -3.177  -3.648   1.018
   57    HB3  LEU   7           1HB      LEU   7  -4.231  -2.241   1.060
   58    HG   LEU   7           HG       LEU   7  -3.211  -1.695  -1.273
   59   HD11  LEU   7          1HD1      LEU   7  -2.048  -3.327  -2.393
   60   HD12  LEU   7          2HD1      LEU   7  -2.900  -4.638  -1.577
   61   HD13  LEU   7          3HD1      LEU   7  -1.590  -3.791  -0.753
   62   HD21  LEU   7          3HD2      LEU   7  -4.822  -4.111  -1.652
   63   HD22  LEU   7          1HD2      LEU   7  -5.206  -2.437  -2.049
   64   HD23  LEU   7          2HD2      LEU   7  -5.489  -3.043  -0.418
   65    H    MET   8           H        MET   8  -2.241   0.177  -0.534
   66    HA   MET   8           HA       MET   8  -0.294  -0.811  -2.454
   67    HB2  MET   8           2HB      MET   8  -2.400   1.089  -2.293
   68    HB3  MET   8           1HB      MET   8  -0.944   1.985  -2.727
   69    HG2  MET   8           2HG      MET   8  -0.536   0.145  -4.477
   70    HG3  MET   8           1HG      MET   8  -2.207  -0.340  -4.184
   71    HE1  MET   8           3HE      MET   8  -1.078   1.010  -7.265
   72    HE2  MET   8           1HE      MET   8  -2.827   1.206  -7.440
   73    HE3  MET   8           2HE      MET   8  -2.174  -0.184  -6.575
   74    H    LYS   9           H        LYS   9  -0.395   1.961  -0.185
   75    HA   LYS   9           HA       LYS   9   2.140   3.074  -0.656
   76    HB2  LYS   9           2HB      LYS   9   0.160   2.915   1.521
   77    HB3  LYS   9           1HB      LYS   9   1.799   3.251   2.079
   78    HG2  LYS   9           2HG      LYS   9   1.308   5.409   1.564
   79    HG3  LYS   9           1HG      LYS   9   1.613   4.910  -0.100
   80    HD2  LYS   9           2HD      LYS   9  -0.854   4.233  -0.195
   81    HD3  LYS   9           1HD      LYS   9  -1.049   5.119   1.318
   82    HE2  LYS   9           2HE      LYS   9   0.113   6.327  -1.217
   83    HE3  LYS   9           1HE      LYS   9  -1.566   6.537  -0.684
   84    HZ1  LYS   9           3HZ      LYS   9  -0.334   8.341   0.211
   85    HZ2  LYS   9           1HZ      LYS   9   0.901   7.320   0.768
   86    HZ3  LYS   9           2HZ      LYS   9  -0.633   7.274   1.499
   87    H    ALA  10           H        ALA  10   1.314   0.089   0.999
   88    HA   ALA  10           HA       ALA  10   3.821  -0.314   2.346
   89    HB1  ALA  10           1HB      ALA  10   2.229  -2.632   1.387
   90    HB2  ALA  10           2HB      ALA  10   1.356  -1.449   2.361
   91    HB3  ALA  10           3HB      ALA  10   2.783  -2.252   3.018
   92    H    PHE  11           H        PHE  11   2.603  -1.150  -0.882
   93    HA   PHE  11           HA       PHE  11   4.919  -2.762  -1.601
   94    HB2  PHE  11           2HB      PHE  11   2.782  -1.400  -3.271
   95    HB3  PHE  11           1HB      PHE  11   3.824  -2.713  -3.806
   96    HD1  PHE  11           1HD      PHE  11   3.511  -3.840  -0.695
   97    HD2  PHE  11           2HD      PHE  11   0.912  -2.969  -4.007
   98    HE1  PHE  11           1HE      PHE  11   1.859  -5.474   0.166
   99    HE2  PHE  11           2HE      PHE  11  -0.735  -4.604  -3.142
  100    HZ   PHE  11           HZ       PHE  11  -0.262  -5.858  -1.056
  101    H    GLU  12           H        GLU  12   4.390   0.595  -1.312
  102    HA   GLU  12           HA       GLU  12   6.562   1.193  -3.293
  103    HB2  GLU  12           2HB      GLU  12   3.962   2.298  -2.703
  104    HB3  GLU  12           1HB      GLU  12   5.193   3.536  -2.461
  105    HG2  GLU  12           2HG      GLU  12   6.116   2.575  -4.764
  106    HG3  GLU  12           1HG      GLU  12   4.434   2.079  -4.961
  107    H    SER  13           H        SER  13   5.350   2.012  -0.032
  108    HA   SER  13           HA       SER  13   7.860   3.432   0.570
  109    HB2  SER  13           2HB      SER  13   5.099   3.400   1.474
  110    HB3  SER  13           1HB      SER  13   6.219   3.367   2.832
  111    HG   SER  13           HG       SER  13   6.348   5.175   0.643
  112    H    LEU  14           H        LEU  14   6.329   0.375   1.255
  113    HA   LEU  14           HA       LEU  14   8.147  -0.213   3.489
  114    HB2  LEU  14           2HB      LEU  14   5.582  -0.907   2.841
  115    HB3  LEU  14           1HB      LEU  14   6.467  -2.346   2.335
  116    HG   LEU  14           HG       LEU  14   7.650  -1.916   4.724
  117   HD11  LEU  14          1HD1      LEU  14   4.837  -1.334   5.493
  118   HD12  LEU  14          2HD1      LEU  14   5.766   0.015   4.842
  119   HD13  LEU  14          3HD1      LEU  14   6.341  -0.844   6.272
  120   HD21  LEU  14          3HD2      LEU  14   4.991  -3.261   4.856
  121   HD22  LEU  14          1HD2      LEU  14   6.575  -3.853   5.358
  122   HD23  LEU  14          2HD2      LEU  14   6.132  -3.858   3.651
  123    H    LYS  15           H        LYS  15   9.069   0.120   0.565
  124    HA   LYS  15           HA       LYS  15   9.855  -2.402  -0.511
  125    HB2  LYS  15           2HB      LYS  15  10.030   0.273  -1.163
  126    HB3  LYS  15           1HB      LYS  15  11.715  -0.158  -0.867
  127    HG2  LYS  15           2HG      LYS  15  11.580  -0.792  -3.076
  128    HG3  LYS  15           1HG      LYS  15  11.019  -2.290  -2.332
  129    HD2  LYS  15           2HD      LYS  15   8.657  -1.331  -2.503
  130    HD3  LYS  15           1HD      LYS  15   9.343  -0.081  -3.541
  131    HE2  LYS  15           2HE      LYS  15   9.671  -1.534  -5.293
  132    HE3  LYS  15           1HE      LYS  15  10.063  -2.893  -4.220
  133    HZ1  LYS  15           3HZ      LYS  15   7.912  -3.306  -5.115
  134    HZ2  LYS  15           1HZ      LYS  15   7.381  -1.736  -4.751
  135    HZ3  LYS  15           2HZ      LYS  15   7.693  -2.838  -3.496
  136    H    SER  16           H        SER  16  11.742  -0.074   1.402
  137    HA   SER  16           HA       SER  16  12.955  -1.823   3.237
  138    HB2  SER  16           2HB      SER  16  13.992  -1.971   0.480
  139    HB3  SER  16           1HB      SER  16  15.243  -1.739   1.698
  140    HG   SER  16           HG       SER  16  14.698  -3.617   2.631
  141    H    PHE  17           H        PHE  17  12.909   1.071   1.418
  142    HA   PHE  17           HA       PHE  17  15.194   2.502   2.150
  143    HB2  PHE  17           2HB      PHE  17  12.462   3.768   2.256
  144    HB3  PHE  17           1HB      PHE  17  13.938   4.383   1.524
  145    HD1  PHE  17           1HD      PHE  17  14.876   2.238  -0.178
  146    HD2  PHE  17           2HD      PHE  17  10.846   3.521   0.580
  147    HE1  PHE  17           1HE      PHE  17  14.164   1.294  -2.359
  148    HE2  PHE  17           2HE      PHE  17  10.139   2.581  -1.603
  149    HZ   PHE  17           HZ       PHE  17  11.798   1.474  -3.075
  150    HN1  NH2  18           2H       PHE  17  12.825   2.805   5.524
  151    HN2  NH2  18           1H       PHE  17  12.108   2.392   4.042
  Start of MODEL   12
    1    H1   MET   1           1HT      MET   1 -15.110  -0.882   6.140
    2    H2   MET   1           2HT      MET   1 -15.363   0.708   5.599
    3    H3   MET   1           3HT      MET   1 -15.575   0.322   7.240
    4    HA   MET   1           HA       MET   1 -13.485   1.418   7.087
    5    HB2  MET   1           2HB      MET   1 -13.969  -1.130   8.058
    6    HB3  MET   1           1HB      MET   1 -12.496  -1.352   7.115
    7    HG2  MET   1           2HG      MET   1 -11.251   0.042   8.468
    8    HG3  MET   1           1HG      MET   1 -12.642   1.034   8.904
    9    HE1  MET   1           3HE      MET   1 -10.559   0.439  10.665
   10    HE2  MET   1           1HE      MET   1 -10.154  -1.283  10.669
   11    HE3  MET   1           2HE      MET   1 -10.941  -0.556  12.068
   12    H    ALA   2           H        ALA   2 -12.223   2.261   5.481
   13    HA   ALA   2           HA       ALA   2 -11.708   0.646   3.030
   14    HB1  ALA   2           1HB      ALA   2 -11.718   2.680   1.977
   15    HB2  ALA   2           2HB      ALA   2 -10.793   3.455   3.263
   16    HB3  ALA   2           3HB      ALA   2 -12.532   3.217   3.447
   17    H    THR   3           H        THR   3  -9.749  -0.364   2.858
   18    HA   THR   3           HA       THR   3  -7.368   0.902   4.155
   19    HB   THR   3           HB       THR   3  -8.248  -0.855   5.625
   20    HG1  THR   3           1HG      THR   3  -6.017  -1.841   4.186
   21   HG21  THR   3          3HG2      THR   3  -7.916  -3.258   4.380
   22   HG22  THR   3          1HG2      THR   3  -8.506  -2.272   3.042
   23   HG23  THR   3          2HG2      THR   3  -9.465  -2.426   4.513
   24    H    LEU   4           H        LEU   4  -8.076   1.039   1.401
   25    HA   LEU   4           HA       LEU   4  -6.577  -1.010  -0.050
   26    HB2  LEU   4           2HB      LEU   4  -8.183   1.453  -0.669
   27    HB3  LEU   4           1HB      LEU   4  -7.141   0.779  -1.920
   28    HG   LEU   4           HG       LEU   4  -9.440  -0.124  -2.072
   29   HD11  LEU   4          1HD1      LEU   4  -7.315  -1.492  -2.584
   30   HD12  LEU   4          2HD1      LEU   4  -8.816  -2.390  -2.363
   31   HD13  LEU   4          3HD1      LEU   4  -7.631  -2.319  -1.060
   32   HD21  LEU   4          3HD2      LEU   4  -9.756   0.052   0.485
   33   HD22  LEU   4          1HD2      LEU   4  -8.926  -1.502   0.567
   34   HD23  LEU   4          2HD2      LEU   4 -10.447  -1.360  -0.316
   35    H    GLU   5           H        GLU   5  -6.242   2.535   0.422
   36    HA   GLU   5           HA       GLU   5  -3.708   2.807  -0.823
   37    HB2  GLU   5           2HB      GLU   5  -5.561   4.382   0.573
   38    HB3  GLU   5           1HB      GLU   5  -4.086   4.497   1.532
   39    HG2  GLU   5           2HG      GLU   5  -2.999   5.699  -0.059
   40    HG3  GLU   5           1HG      GLU   5  -3.642   4.714  -1.374
   41    H    LYS   6           H        LYS   6  -4.599   1.818   2.445
   42    HA   LYS   6           HA       LYS   6  -1.963   1.807   3.570
   43    HB2  LYS   6           2HB      LYS   6  -4.541   1.381   4.412
   44    HB3  LYS   6           1HB      LYS   6  -3.895  -0.261   4.432
   45    HG2  LYS   6           2HG      LYS   6  -2.337   0.219   6.071
   46    HG3  LYS   6           1HG      LYS   6  -2.222   1.918   5.611
   47    HD2  LYS   6           2HD      LYS   6  -3.382   1.822   7.725
   48    HD3  LYS   6           1HD      LYS   6  -4.571   2.227   6.486
   49    HE2  LYS   6           2HE      LYS   6  -5.770   0.483   7.346
   50    HE3  LYS   6           1HE      LYS   6  -4.611  -0.550   6.486
   51    HZ1  LYS   6           3HZ      LYS   6  -4.207   0.540   9.222
   52    HZ2  LYS   6           1HZ      LYS   6  -3.167  -0.515   8.396
   53    HZ3  LYS   6           2HZ      LYS   6  -4.706  -1.048   8.882
   54    H    LEU   7           H        LEU   7  -3.464  -0.129   1.159
   55    HA   LEU   7           HA       LEU   7  -1.650  -2.414   1.621
   56    HB2  LEU   7           2HB      LEU   7  -3.343  -3.624   0.676
   57    HB3  LEU   7           1HB      LEU   7  -4.309  -2.180   0.959
   58    HG   LEU   7           HG       LEU   7  -3.361  -1.433  -1.377
   59   HD11  LEU   7          1HD1      LEU   7  -3.409  -4.359  -1.961
   60   HD12  LEU   7          2HD1      LEU   7  -1.945  -3.700  -1.231
   61   HD13  LEU   7          3HD1      LEU   7  -2.523  -3.067  -2.772
   62   HD21  LEU   7          3HD2      LEU   7  -5.233  -3.284  -2.258
   63   HD22  LEU   7          1HD2      LEU   7  -5.598  -1.681  -1.623
   64   HD23  LEU   7          2HD2      LEU   7  -5.640  -3.083  -0.554
   65    H    MET   8           H        MET   8  -2.227   0.277  -0.543
   66    HA   MET   8           HA       MET   8  -0.418  -0.670  -2.628
   67    HB2  MET   8           2HB      MET   8  -2.464   0.756  -2.962
   68    HB3  MET   8           1HB      MET   8  -1.624   2.065  -2.127
   69    HG2  MET   8           2HG      MET   8  -0.179   2.441  -3.876
   70    HG3  MET   8           1HG      MET   8  -0.179   0.751  -4.377
   71    HE1  MET   8           3HE      MET   8  -2.663   3.652  -3.748
   72    HE2  MET   8           1HE      MET   8  -3.191   4.044  -5.390
   73    HE3  MET   8           2HE      MET   8  -1.503   4.252  -4.931
   74    H    LYS   9           H        LYS   9  -0.388   2.095  -0.343
   75    HA   LYS   9           HA       LYS   9   2.218   3.047  -0.810
   76    HB2  LYS   9           2HB      LYS   9   0.203   3.055   1.353
   77    HB3  LYS   9           1HB      LYS   9   1.852   3.364   1.895
   78    HG2  LYS   9           2HG      LYS   9   1.839   5.437   1.006
   79    HG3  LYS   9           1HG      LYS   9   1.265   4.830  -0.547
   80    HD2  LYS   9           2HD      LYS   9  -1.027   4.898   0.182
   81    HD3  LYS   9           1HD      LYS   9  -0.547   5.225   1.848
   82    HE2  LYS   9           2HE      LYS   9   0.544   7.170  -0.082
   83    HE3  LYS   9           1HE      LYS   9  -1.229   7.177   0.027
   84    HZ1  LYS   9           3HZ      LYS   9   0.693   7.352   2.287
   85    HZ2  LYS   9           1HZ      LYS   9  -0.981   7.163   2.474
   86    HZ3  LYS   9           2HZ      LYS   9  -0.363   8.572   1.755
   87    H    ALA  10           H        ALA  10   1.173   0.179   0.925
   88    HA   ALA  10           HA       ALA  10   3.538  -0.370   2.416
   89    HB1  ALA  10           1HB      ALA  10   2.615  -2.754   2.201
   90    HB2  ALA  10           2HB      ALA  10   1.358  -2.061   1.175
   91    HB3  ALA  10           3HB      ALA  10   1.504  -1.551   2.857
   92    H    PHE  11           H        PHE  11   2.592  -1.197  -0.919
   93    HA   PHE  11           HA       PHE  11   5.018  -2.719  -1.462
   94    HB2  PHE  11           2HB      PHE  11   3.031  -1.470  -3.378
   95    HB3  PHE  11           1HB      PHE  11   4.039  -2.885  -3.661
   96    HD1  PHE  11           1HD      PHE  11   3.515  -3.951  -0.699
   97    HD2  PHE  11           2HD      PHE  11   0.991  -2.700  -3.942
   98    HE1  PHE  11           1HE      PHE  11   1.688  -5.392   0.163
   99    HE2  PHE  11           2HE      PHE  11  -0.831  -4.140  -3.081
  100    HZ   PHE  11           HZ       PHE  11  -0.483  -5.487  -1.028
  101    H    GLU  12           H        GLU  12   4.179   0.628  -1.414
  102    HA   GLU  12           HA       GLU  12   6.322   1.373  -3.336
  103    HB2  GLU  12           2HB      GLU  12   3.771   2.322  -2.696
  104    HB3  GLU  12           1HB      GLU  12   4.861   3.520  -1.999
  105    HG2  GLU  12           2HG      GLU  12   5.860   4.002  -4.081
  106    HG3  GLU  12           1HG      GLU  12   5.265   2.510  -4.811
  107    H    SER  13           H        SER  13   5.385   1.997   0.071
  108    HA   SER  13           HA       SER  13   8.130   3.036   0.534
  109    HB2  SER  13           2HB      SER  13   5.630   4.083   1.068
  110    HB3  SER  13           1HB      SER  13   6.112   3.418   2.626
  111    HG   SER  13           HG       SER  13   7.934   4.673   2.582
  112    H    LEU  14           H        LEU  14   5.985   0.446   1.339
  113    HA   LEU  14           HA       LEU  14   7.735  -0.361   3.600
  114    HB2  LEU  14           2HB      LEU  14   5.093  -0.008   3.600
  115    HB3  LEU  14           1HB      LEU  14   5.118  -1.665   2.992
  116    HG   LEU  14           HG       LEU  14   6.736  -2.142   4.960
  117   HD11  LEU  14          1HD1      LEU  14   5.338   0.203   6.223
  118   HD12  LEU  14          2HD1      LEU  14   6.857   0.445   5.359
  119   HD13  LEU  14          3HD1      LEU  14   6.797  -0.635   6.752
  120   HD21  LEU  14          3HD2      LEU  14   4.095  -2.540   4.645
  121   HD22  LEU  14          1HD2      LEU  14   4.040  -1.439   6.021
  122   HD23  LEU  14          2HD2      LEU  14   4.932  -2.955   6.140
  123    H    LYS  15           H        LYS  15   8.310  -0.779   0.677
  124    HA   LYS  15           HA       LYS  15   7.854  -3.585   0.072
  125    HB2  LYS  15           2HB      LYS  15   8.323  -1.509  -1.444
  126    HB3  LYS  15           1HB      LYS  15  10.018  -1.847  -1.092
  127    HG2  LYS  15           2HG      LYS  15   8.357  -4.175  -1.903
  128    HG3  LYS  15           1HG      LYS  15   8.703  -2.986  -3.159
  129    HD2  LYS  15           2HD      LYS  15  11.161  -3.146  -2.285
  130    HD3  LYS  15           1HD      LYS  15  10.628  -4.672  -1.579
  131    HE2  LYS  15           2HE      LYS  15  10.143  -4.017  -4.497
  132    HE3  LYS  15           1HE      LYS  15  11.620  -4.831  -3.942
  133    HZ1  LYS  15           3HZ      LYS  15   9.820  -6.405  -4.505
  134    HZ2  LYS  15           1HZ      LYS  15   8.859  -5.717  -3.288
  135    HZ3  LYS  15           2HZ      LYS  15  10.303  -6.514  -2.880
  136    H    SER  16           H        SER  16  10.726  -1.720   1.039
  137    HA   SER  16           HA       SER  16  11.794  -3.586   2.872
  138    HB2  SER  16           2HB      SER  16  12.176  -4.182   0.006
  139    HB3  SER  16           1HB      SER  16  13.665  -4.213   0.948
  140    HG   SER  16           HG       SER  16  12.119  -6.168   0.785
  141    H    PHE  17           H        PHE  17  12.357  -1.202   0.394
  142    HA   PHE  17           HA       PHE  17  14.960  -0.341   1.328
  143    HB2  PHE  17           2HB      PHE  17  14.188   1.735  -0.125
  144    HB3  PHE  17           1HB      PHE  17  14.568   0.203  -0.901
  145    HD1  PHE  17           2HD      PHE  17  11.558   1.550   0.932
  146    HD2  PHE  17           1HD      PHE  17  13.109  -0.280  -2.632
  147    HE1  PHE  17           2HE      PHE  17   9.269   1.434  -0.008
  148    HE2  PHE  17           1HE      PHE  17  10.818  -0.395  -3.570
  149    HZ   PHE  17           HZ       PHE  17   8.898   0.461  -2.258
  150    HN1  NH2  18           2H       PHE  17  13.210   1.203   4.206
  151    HN2  NH2  18           1H       PHE  17  13.632  -0.361   3.702
  Start of MODEL   13
    1    H1   MET   1           1HT      MET   1  -9.658  -3.233   6.410
    2    H2   MET   1           2HT      MET   1 -10.782  -3.588   7.633
    3    H3   MET   1           3HT      MET   1 -10.561  -1.984   7.119
    4    HA   MET   1           HA       MET   1 -11.673  -4.188   5.452
    5    HB2  MET   1           2HB      MET   1 -12.924  -3.189   7.509
    6    HB3  MET   1           1HB      MET   1 -13.071  -1.736   6.519
    7    HG2  MET   1           2HG      MET   1 -13.813  -4.367   5.299
    8    HG3  MET   1           1HG      MET   1 -14.937  -3.625   6.439
    9    HE1  MET   1           3HE      MET   1 -15.308  -4.526   3.805
   10    HE2  MET   1           1HE      MET   1 -14.813  -3.553   2.412
   11    HE3  MET   1           2HE      MET   1 -16.406  -3.326   3.129
   12    H    ALA   2           H        ALA   2 -11.561  -0.611   5.757
   13    HA   ALA   2           HA       ALA   2 -11.386  -0.426   2.783
   14    HB1  ALA   2           1HB      ALA   2 -11.829   1.769   4.822
   15    HB2  ALA   2           2HB      ALA   2 -13.142   0.753   4.226
   16    HB3  ALA   2           3HB      ALA   2 -12.250   1.787   3.110
   17    H    THR   3           H        THR   3  -8.995  -1.280   3.857
   18    HA   THR   3           HA       THR   3  -7.294   1.169   4.131
   19    HB   THR   3           HB       THR   3  -5.640  -0.671   4.902
   20    HG1  THR   3           1HG      THR   3  -6.827  -2.545   5.643
   21   HG21  THR   3          3HG2      THR   3  -6.508   0.690   6.604
   22   HG22  THR   3          1HG2      THR   3  -7.002  -0.926   7.111
   23   HG23  THR   3          2HG2      THR   3  -8.162   0.146   6.325
   24    H    LEU   4           H        LEU   4  -8.213   0.579   1.525
   25    HA   LEU   4           HA       LEU   4  -6.527  -1.108  -0.009
   26    HB2  LEU   4           2HB      LEU   4  -7.347   0.360  -1.875
   27    HB3  LEU   4           1HB      LEU   4  -8.630  -0.213  -0.814
   28    HG   LEU   4           HG       LEU   4  -7.978   2.113   0.430
   29   HD11  LEU   4          1HD1      LEU   4  -6.430   2.378  -1.743
   30   HD12  LEU   4          2HD1      LEU   4  -7.242   3.760  -1.008
   31   HD13  LEU   4          3HD1      LEU   4  -7.941   2.979  -2.426
   32   HD21  LEU   4          3HD2      LEU   4  -9.975   1.320  -1.639
   33   HD22  LEU   4          1HD2      LEU   4  -9.867   3.034  -1.237
   34   HD23  LEU   4          2HD2      LEU   4 -10.231   1.853   0.022
   35    H    GLU   5           H        GLU   5  -6.241   2.399   0.654
   36    HA   GLU   5           HA       GLU   5  -3.798   2.768  -0.780
   37    HB2  GLU   5           2HB      GLU   5  -5.623   4.320   0.594
   38    HB3  GLU   5           1HB      GLU   5  -4.210   4.396   1.647
   39    HG2  GLU   5           2HG      GLU   5  -2.943   5.526   0.097
   40    HG3  GLU   5           1HG      GLU   5  -3.732   4.743  -1.272
   41    H    LYS   6           H        LYS   6  -4.519   1.737   2.511
   42    HA   LYS   6           HA       LYS   6  -1.831   1.778   3.511
   43    HB2  LYS   6           2HB      LYS   6  -4.381   1.279   4.454
   44    HB3  LYS   6           1HB      LYS   6  -3.650  -0.325   4.493
   45    HG2  LYS   6           2HG      LYS   6  -1.676   1.423   5.490
   46    HG3  LYS   6           1HG      LYS   6  -3.184   1.933   6.250
   47    HD2  LYS   6           2HD      LYS   6  -2.238  -0.944   6.160
   48    HD3  LYS   6           1HD      LYS   6  -1.953   0.138   7.522
   49    HE2  LYS   6           2HE      LYS   6  -4.541   0.530   7.445
   50    HE3  LYS   6           1HE      LYS   6  -4.565  -0.991   6.531
   51    HZ1  LYS   6           3HZ      LYS   6  -4.686  -1.538   8.837
   52    HZ2  LYS   6           1HZ      LYS   6  -3.374  -0.531   9.212
   53    HZ3  LYS   6           2HZ      LYS   6  -3.127  -1.943   8.301
   54    H    LEU   7           H        LEU   7  -3.425  -0.184   1.177
   55    HA   LEU   7           HA       LEU   7  -1.567  -2.451   1.558
   56    HB2  LEU   7           2HB      LEU   7  -3.267  -3.671   0.640
   57    HB3  LEU   7           1HB      LEU   7  -4.242  -2.244   0.975
   58    HG   LEU   7           HG       LEU   7  -3.370  -1.449  -1.378
   59   HD11  LEU   7          1HD1      LEU   7  -2.200  -4.026  -1.188
   60   HD12  LEU   7          2HD1      LEU   7  -2.208  -2.951  -2.586
   61   HD13  LEU   7          3HD1      LEU   7  -3.489  -4.146  -2.386
   62   HD21  LEU   7          3HD2      LEU   7  -5.257  -3.370  -2.176
   63   HD22  LEU   7          1HD2      LEU   7  -5.595  -1.722  -1.649
   64   HD23  LEU   7          2HD2      LEU   7  -5.632  -3.045  -0.484
   65    H    MET   8           H        MET   8  -2.151   0.297  -0.501
   66    HA   MET   8           HA       MET   8  -0.394  -0.649  -2.651
   67    HB2  MET   8           2HB      MET   8  -2.571   0.992  -2.494
   68    HB3  MET   8           1HB      MET   8  -1.264   2.177  -2.497
   69    HG2  MET   8           2HG      MET   8  -0.574   1.620  -4.628
   70    HG3  MET   8           1HG      MET   8  -1.114  -0.053  -4.479
   71    HE1  MET   8           3HE      MET   8  -1.473   1.926  -6.960
   72    HE2  MET   8           1HE      MET   8  -1.706   3.319  -5.895
   73    HE3  MET   8           2HE      MET   8  -2.973   2.848  -7.025
   74    H    LYS   9           H        LYS   9  -0.439   2.174  -0.449
   75    HA   LYS   9           HA       LYS   9   2.157   3.154  -0.940
   76    HB2  LYS   9           2HB      LYS   9   0.821   4.518   0.384
   77    HB3  LYS   9           1HB      LYS   9   0.177   3.163   1.306
   78    HG2  LYS   9           2HG      LYS   9   3.088   3.781   1.592
   79    HG3  LYS   9           1HG      LYS   9   1.935   4.861   2.376
   80    HD2  LYS   9           2HD      LYS   9   1.062   2.196   2.880
   81    HD3  LYS   9           1HD      LYS   9   2.792   2.254   3.224
   82    HE2  LYS   9           2HE      LYS   9   1.975   4.595   4.379
   83    HE3  LYS   9           1HE      LYS   9   0.557   3.563   4.653
   84    HZ1  LYS   9           3HZ      LYS   9   3.381   2.893   5.290
   85    HZ2  LYS   9           1HZ      LYS   9   2.084   1.811   5.426
   86    HZ3  LYS   9           2HZ      LYS   9   2.140   3.195   6.409
   87    H    ALA  10           H        ALA  10   1.141   0.325   0.860
   88    HA   ALA  10           HA       ALA  10   3.532  -0.084   2.395
   89    HB1  ALA  10           1HB      ALA  10   1.925  -2.387   1.410
   90    HB2  ALA  10           2HB      ALA  10   1.049  -1.143   2.303
   91    HB3  ALA  10           3HB      ALA  10   2.405  -1.980   3.057
   92    H    PHE  11           H        PHE  11   2.498  -1.154  -0.840
   93    HA   PHE  11           HA       PHE  11   4.815  -2.828  -1.318
   94    HB2  PHE  11           2HB      PHE  11   2.865  -1.503  -3.225
   95    HB3  PHE  11           1HB      PHE  11   3.867  -2.907  -3.576
   96    HD1  PHE  11           1HD      PHE  11   3.328  -3.868  -0.489
   97    HD2  PHE  11           2HD      PHE  11   0.906  -2.920  -3.911
   98    HE1  PHE  11           1HE      PHE  11   1.530  -5.340   0.372
   99    HE2  PHE  11           2HE      PHE  11  -0.888  -4.395  -3.048
  100    HZ   PHE  11           HZ       PHE  11  -0.577  -5.605  -0.906
  101    H    GLU  12           H        GLU  12   4.292   0.575  -1.390
  102    HA   GLU  12           HA       GLU  12   6.634   0.986  -3.212
  103    HB2  GLU  12           2HB      GLU  12   4.057   2.216  -2.820
  104    HB3  GLU  12           1HB      GLU  12   5.315   3.417  -2.533
  105    HG2  GLU  12           2HG      GLU  12   6.343   2.334  -4.745
  106    HG3  GLU  12           1HG      GLU  12   4.651   1.931  -5.037
  107    H    SER  13           H        SER  13   5.282   2.019  -0.071
  108    HA   SER  13           HA       SER  13   7.795   3.360   0.643
  109    HB2  SER  13           2HB      SER  13   5.316   4.056   1.104
  110    HB3  SER  13           1HB      SER  13   5.429   2.914   2.441
  111    HG   SER  13           HG       SER  13   6.031   5.128   2.942
  112    H    LEU  14           H        LEU  14   6.046   0.425   1.410
  113    HA   LEU  14           HA       LEU  14   8.006  -0.294   3.503
  114    HB2  LEU  14           2HB      LEU  14   5.271  -0.561   3.239
  115    HB3  LEU  14           1HB      LEU  14   5.850  -2.174   2.822
  116    HG   LEU  14           HG       LEU  14   5.436  -2.020   5.237
  117   HD11  LEU  14          1HD1      LEU  14   7.357  -3.380   4.341
  118   HD12  LEU  14          2HD1      LEU  14   7.579  -2.841   6.006
  119   HD13  LEU  14          3HD1      LEU  14   8.417  -2.015   4.692
  120   HD21  LEU  14          3HD2      LEU  14   7.478  -0.395   6.215
  121   HD22  LEU  14          1HD2      LEU  14   5.763   0.011   6.179
  122   HD23  LEU  14          2HD2      LEU  14   6.820   0.532   4.867
  123    H    LYS  15           H        LYS  15   9.142  -0.244   0.952
  124    HA   LYS  15           HA       LYS  15   9.046  -2.915  -0.257
  125    HB2  LYS  15           2HB      LYS  15   9.491  -0.462  -1.213
  126    HB3  LYS  15           1HB      LYS  15  11.162  -0.893  -0.848
  127    HG2  LYS  15           2HG      LYS  15  11.172  -2.681  -2.358
  128    HG3  LYS  15           1HG      LYS  15   9.414  -2.824  -2.349
  129    HD2  LYS  15           2HD      LYS  15   9.294  -0.575  -3.474
  130    HD3  LYS  15           1HD      LYS  15  11.051  -0.616  -3.626
  131    HE2  LYS  15           2HE      LYS  15   9.970  -3.121  -4.574
  132    HE3  LYS  15           1HE      LYS  15   9.163  -1.772  -5.400
  133    HZ1  LYS  15           3HZ      LYS  15  11.255  -0.815  -5.951
  134    HZ2  LYS  15           1HZ      LYS  15  11.324  -2.444  -6.419
  135    HZ3  LYS  15           2HZ      LYS  15  12.101  -1.937  -4.996
  136    H    SER  16           H        SER  16  11.639  -0.973   1.240
  137    HA   SER  16           HA       SER  16  12.672  -2.996   2.946
  138    HB2  SER  16           2HB      SER  16  13.288  -3.217   0.091
  139    HB3  SER  16           1HB      SER  16  14.739  -3.177   1.090
  140    HG   SER  16           HG       SER  16  14.257  -5.219   1.355
  141    H    PHE  17           H        PHE  17  12.914  -0.018   1.304
  142    HA   PHE  17           HA       PHE  17  15.409   1.060   1.601
  143    HB2  PHE  17           2HB      PHE  17  13.113   2.580   2.800
  144    HB3  PHE  17           1HB      PHE  17  14.339   3.129   1.664
  145    HD1  PHE  17           2HD      PHE  17  14.284   2.060  -0.724
  146    HD2  PHE  17           1HD      PHE  17  10.985   1.991   2.028
  147    HE1  PHE  17           2HE      PHE  17  12.723   1.624  -2.603
  148    HE2  PHE  17           1HE      PHE  17   9.428   1.554   0.151
  149    HZ   PHE  17           HZ       PHE  17  10.296   1.373  -2.166
  150    HN1  NH2  18           2H       PHE  17  16.448   0.787   4.972
  151    HN2  NH2  18           1H       PHE  17  16.826   0.571   3.331
  Start of MODEL   14
    1    H1   MET   1           1HT      MET   1 -12.764   3.143   6.338
    2    H2   MET   1           2HT      MET   1 -14.323   3.419   6.952
    3    H3   MET   1           3HT      MET   1 -14.055   3.427   5.275
    4    HA   MET   1           HA       MET   1 -13.737   1.048   7.038
    5    HB2  MET   1           2HB      MET   1 -16.049   2.166   6.609
    6    HB3  MET   1           1HB      MET   1 -15.859   1.574   4.958
    7    HG2  MET   1           2HG      MET   1 -15.756  -0.700   5.683
    8    HG3  MET   1           1HG      MET   1 -15.562  -0.225   7.371
    9    HE1  MET   1           3HE      MET   1 -19.010  -1.980   6.041
   10    HE2  MET   1           1HE      MET   1 -17.300  -2.072   5.600
   11    HE3  MET   1           2HE      MET   1 -18.416  -1.127   4.619
   12    H    ALA   2           H        ALA   2 -11.615   1.694   5.411
   13    HA   ALA   2           HA       ALA   2 -11.675  -0.467   3.426
   14    HB1  ALA   2           1HB      ALA   2 -12.494   0.950   1.834
   15    HB2  ALA   2           2HB      ALA   2 -10.848   1.584   1.796
   16    HB3  ALA   2           3HB      ALA   2 -12.079   2.385   2.772
   17    H    THR   3           H        THR   3  -9.596  -1.256   3.174
   18    HA   THR   3           HA       THR   3  -7.345   0.432   4.219
   19    HB   THR   3           HB       THR   3  -7.583  -2.589   4.239
   20    HG1  THR   3           1HG      THR   3  -8.165  -0.750   6.317
   21   HG21  THR   3          3HG2      THR   3  -5.708  -2.566   5.630
   22   HG22  THR   3          1HG2      THR   3  -5.972  -0.893   6.122
   23   HG23  THR   3          2HG2      THR   3  -5.345  -1.250   4.512
   24    H    LEU   4           H        LEU   4  -8.093   0.543   1.492
   25    HA   LEU   4           HA       LEU   4  -6.454  -1.316  -0.047
   26    HB2  LEU   4           2HB      LEU   4  -8.565   0.602  -0.445
   27    HB3  LEU   4           1HB      LEU   4  -7.250   0.959  -1.565
   28    HG   LEU   4           HG       LEU   4  -7.963  -1.908  -1.285
   29   HD11  LEU   4          1HD1      LEU   4 -10.205  -1.155  -1.338
   30   HD12  LEU   4          2HD1      LEU   4  -9.826  -1.481  -3.028
   31   HD13  LEU   4          3HD1      LEU   4  -9.821   0.177  -2.428
   32   HD21  LEU   4          3HD2      LEU   4  -7.134  -2.008  -3.432
   33   HD22  LEU   4          1HD2      LEU   4  -6.332  -0.524  -2.918
   34   HD23  LEU   4          2HD2      LEU   4  -7.809  -0.441  -3.876
   35    H    GLU   5           H        GLU   5  -6.360   2.239   0.491
   36    HA   GLU   5           HA       GLU   5  -3.865   2.701  -0.769
   37    HB2  GLU   5           2HB      GLU   5  -5.657   4.018   1.176
   38    HB3  GLU   5           1HB      GLU   5  -3.972   4.529   1.287
   39    HG2  GLU   5           2HG      GLU   5  -4.660   5.985  -0.356
   40    HG3  GLU   5           1HG      GLU   5  -4.240   4.611  -1.382
   41    H    LYS   6           H        LYS   6  -4.635   1.625   2.506
   42    HA   LYS   6           HA       LYS   6  -1.978   1.765   3.574
   43    HB2  LYS   6           2HB      LYS   6  -4.609   0.577   4.201
   44    HB3  LYS   6           1HB      LYS   6  -3.239  -0.307   4.876
   45    HG2  LYS   6           2HG      LYS   6  -2.398   2.038   5.637
   46    HG3  LYS   6           1HG      LYS   6  -4.065   2.546   5.371
   47    HD2  LYS   6           2HD      LYS   6  -4.579   0.346   6.788
   48    HD3  LYS   6           1HD      LYS   6  -2.960   0.666   7.412
   49    HE2  LYS   6           2HE      LYS   6  -5.059   2.844   7.284
   50    HE3  LYS   6           1HE      LYS   6  -4.897   1.775   8.693
   51    HZ1  LYS   6           3HZ      LYS   6  -2.766   3.461   7.489
   52    HZ2  LYS   6           1HZ      LYS   6  -2.502   2.324   8.719
   53    HZ3  LYS   6           2HZ      LYS   6  -3.489   3.677   9.011
   54    H    LEU   7           H        LEU   7  -3.402  -0.242   1.178
   55    HA   LEU   7           HA       LEU   7  -1.451  -2.421   1.603
   56    HB2  LEU   7           2HB      LEU   7  -3.088  -3.730   0.693
   57    HB3  LEU   7           1HB      LEU   7  -4.131  -2.347   1.004
   58    HG   LEU   7           HG       LEU   7  -3.290  -1.540  -1.353
   59   HD11  LEU   7          1HD1      LEU   7  -3.235  -4.367  -2.147
   60   HD12  LEU   7          2HD1      LEU   7  -1.851  -3.889  -1.166
   61   HD13  LEU   7          3HD1      LEU   7  -2.203  -3.034  -2.666
   62   HD21  LEU   7          3HD2      LEU   7  -5.065  -3.593  -2.114
   63   HD22  LEU   7          1HD2      LEU   7  -5.487  -1.941  -1.666
   64   HD23  LEU   7          2HD2      LEU   7  -5.476  -3.211  -0.442
   65    H    MET   8           H        MET   8  -2.218   0.237  -0.539
   66    HA   MET   8           HA       MET   8  -0.405  -0.619  -2.665
   67    HB2  MET   8           2HB      MET   8  -2.560   0.680  -2.928
   68    HB3  MET   8           1HB      MET   8  -1.746   2.052  -2.176
   69    HG2  MET   8           2HG      MET   8  -0.806   2.606  -4.143
   70    HG3  MET   8           1HG      MET   8  -0.048   1.018  -4.244
   71    HE1  MET   8           3HE      MET   8  -2.337  -1.295  -5.577
   72    HE2  MET   8           1HE      MET   8  -0.746  -0.817  -4.970
   73    HE3  MET   8           2HE      MET   8  -1.107  -0.704  -6.691
   74    H    LYS   9           H        LYS   9  -0.502   2.169  -0.411
   75    HA   LYS   9           HA       LYS   9   2.049   3.244  -0.967
   76    HB2  LYS   9           2HB      LYS   9   0.064   3.247   1.238
   77    HB3  LYS   9           1HB      LYS   9   1.696   3.737   1.689
   78    HG2  LYS   9           2HG      LYS   9   1.256   5.773   0.833
   79    HG3  LYS   9           1HG      LYS   9   1.175   5.028  -0.764
   80    HD2  LYS   9           2HD      LYS   9  -1.282   4.374   0.177
   81    HD3  LYS   9           1HD      LYS   9  -1.023   5.895   1.034
   82    HE2  LYS   9           2HE      LYS   9  -1.945   6.683  -0.964
   83    HE3  LYS   9           1HE      LYS   9  -0.220   6.709  -1.382
   84    HZ1  LYS   9           3HZ      LYS   9  -1.667   5.484  -2.999
   85    HZ2  LYS   9           1HZ      LYS   9  -1.961   4.338  -1.783
   86    HZ3  LYS   9           2HZ      LYS   9  -0.382   4.572  -2.365
   87    H    ALA  10           H        ALA  10   1.202   0.338   0.769
   88    HA   ALA  10           HA       ALA  10   3.619   0.067   2.309
   89    HB1  ALA  10           1HB      ALA  10   2.009  -2.247   1.272
   90    HB2  ALA  10           2HB      ALA  10   1.245  -1.101   2.375
   91    HB3  ALA  10           3HB      ALA  10   2.677  -1.996   2.885
   92    H    PHE  11           H        PHE  11   2.565  -1.487  -0.749
   93    HA   PHE  11           HA       PHE  11   4.948  -2.889  -1.310
   94    HB2  PHE  11           2HB      PHE  11   3.033  -1.545  -3.236
   95    HB3  PHE  11           1HB      PHE  11   4.044  -2.944  -3.581
   96    HD1  PHE  11           1HD      PHE  11   3.468  -3.984  -0.551
   97    HD2  PHE  11           2HD      PHE  11   1.061  -2.909  -3.946
   98    HE1  PHE  11           1HE      PHE  11   1.653  -5.460   0.266
   99    HE2  PHE  11           2HE      PHE  11  -0.749  -4.389  -3.128
  100    HZ   PHE  11           HZ       PHE  11  -0.454  -5.666  -1.023
  101    H    GLU  12           H        GLU  12   4.274   0.515  -1.520
  102    HA   GLU  12           HA       GLU  12   6.709   0.995  -3.175
  103    HB2  GLU  12           2HB      GLU  12   4.098   2.186  -2.781
  104    HB3  GLU  12           1HB      GLU  12   5.358   3.389  -2.518
  105    HG2  GLU  12           2HG      GLU  12   5.833   1.663  -4.858
  106    HG3  GLU  12           1HG      GLU  12   4.382   2.659  -4.987
  107    H    SER  13           H        SER  13   5.191   2.040  -0.114
  108    HA   SER  13           HA       SER  13   7.511   3.536   0.753
  109    HB2  SER  13           2HB      SER  13   5.159   2.466   2.329
  110    HB3  SER  13           1HB      SER  13   6.198   3.812   2.788
  111    HG   SER  13           HG       SER  13   4.014   3.997   1.458
  112    H    LEU  14           H        LEU  14   6.290   0.283   1.343
  113    HA   LEU  14           HA       LEU  14   7.978  -0.438   3.521
  114    HB2  LEU  14           2HB      LEU  14   5.996  -1.680   2.574
  115    HB3  LEU  14           1HB      LEU  14   7.032  -2.198   1.243
  116    HG   LEU  14           HG       LEU  14   8.119  -2.629   3.971
  117   HD11  LEU  14          1HD1      LEU  14   5.606  -3.914   2.949
  118   HD12  LEU  14          2HD1      LEU  14   6.015  -3.416   4.591
  119   HD13  LEU  14          3HD1      LEU  14   6.735  -4.872   3.906
  120   HD21  LEU  14          3HD2      LEU  14   8.979  -3.331   1.564
  121   HD22  LEU  14          1HD2      LEU  14   7.872  -4.683   1.799
  122   HD23  LEU  14          2HD2      LEU  14   9.193  -4.415   2.937
  123    H    LYS  15           H        LYS  15   8.720   0.066   0.166
  124    HA   LYS  15           HA       LYS  15  11.063  -1.592  -0.057
  125    HB2  LYS  15           2HB      LYS  15   9.743   0.656  -1.474
  126    HB3  LYS  15           1HB      LYS  15  11.462   0.440  -1.803
  127    HG2  LYS  15           2HG      LYS  15   9.569  -1.903  -1.879
  128    HG3  LYS  15           1HG      LYS  15   9.778  -0.860  -3.286
  129    HD2  LYS  15           2HD      LYS  15  12.018  -1.461  -3.567
  130    HD3  LYS  15           1HD      LYS  15  12.196  -1.963  -1.885
  131    HE2  LYS  15           2HE      LYS  15  11.960  -4.078  -2.733
  132    HE3  LYS  15           1HE      LYS  15  10.230  -3.680  -2.785
  133    HZ1  LYS  15           3HZ      LYS  15  11.124  -4.387  -4.966
  134    HZ2  LYS  15           1HZ      LYS  15  12.162  -3.045  -4.951
  135    HZ3  LYS  15           2HZ      LYS  15  10.479  -2.816  -4.989
  136    H    SER  16           H        SER  16  10.823   1.945   0.300
  137    HA   SER  16           HA       SER  16  12.569   2.344   2.466
  138    HB2  SER  16           2HB      SER  16  13.864   1.588  -0.074
  139    HB3  SER  16           1HB      SER  16  14.532   3.043   0.658
  140    HG   SER  16           HG       SER  16  15.602   1.375   1.593
  141    H    PHE  17           H        PHE  17  11.430   3.383  -0.645
  142    HA   PHE  17           HA       PHE  17  11.876   6.235  -0.018
  143    HB2  PHE  17           2HB      PHE  17  10.868   6.333  -2.460
  144    HB3  PHE  17           1HB      PHE  17  12.528   5.795  -2.219
  145    HD1  PHE  17           2HD      PHE  17   9.019   4.568  -2.629
  146    HD2  PHE  17           1HD      PHE  17  13.203   3.610  -2.822
  147    HE1  PHE  17           2HE      PHE  17   8.473   2.372  -3.651
  148    HE2  PHE  17           1HE      PHE  17  12.656   1.416  -3.841
  149    HZ   PHE  17           HZ       PHE  17  10.291   0.801  -4.261
  150    HN1  NH2  18           2H       PHE  17   8.248   6.998  -0.498
  151    HN2  NH2  18           1H       PHE  17   9.691   7.429  -1.280
  Start of MODEL   15
    1    H1   MET   1           1HT      MET   1 -15.458  -1.325   2.650
    2    H2   MET   1           2HT      MET   1 -16.034   0.127   3.318
    3    H3   MET   1           3HT      MET   1 -16.264  -1.339   4.143
    4    HA   MET   1           HA       MET   1 -14.481  -0.265   5.248
    5    HB2  MET   1           2HB      MET   1 -13.790  -2.459   3.290
    6    HB3  MET   1           1HB      MET   1 -12.612  -1.891   4.474
    7    HG2  MET   1           2HG      MET   1 -15.382  -2.629   5.376
    8    HG3  MET   1           1HG      MET   1 -14.191  -3.898   5.089
    9    HE1  MET   1           3HE      MET   1 -15.311  -4.076   7.425
   10    HE2  MET   1           1HE      MET   1 -15.601  -2.514   8.205
   11    HE3  MET   1           2HE      MET   1 -14.415  -3.632   8.876
   12    H    ALA   2           H        ALA   2 -11.898   0.087   4.684
   13    HA   ALA   2           HA       ALA   2 -11.454   1.459   2.126
   14    HB1  ALA   2           1HB      ALA   2 -11.323   3.675   3.043
   15    HB2  ALA   2           2HB      ALA   2 -11.425   3.065   4.695
   16    HB3  ALA   2           3HB      ALA   2 -12.835   2.989   3.638
   17    H    THR   3           H        THR   3  -9.881  -0.515   2.696
   18    HA   THR   3           HA       THR   3  -7.463   0.631   4.056
   19    HB   THR   3           HB       THR   3  -8.192  -2.297   3.853
   20    HG1  THR   3           1HG      THR   3  -9.366  -2.108   5.640
   21   HG21  THR   3          3HG2      THR   3  -6.677  -1.009   6.089
   22   HG22  THR   3          1HG2      THR   3  -5.858  -1.257   4.547
   23   HG23  THR   3          2HG2      THR   3  -6.523  -2.634   5.424
   24    H    LEU   4           H        LEU   4  -8.016   0.964   1.277
   25    HA   LEU   4           HA       LEU   4  -6.455  -1.057  -0.171
   26    HB2  LEU   4           2HB      LEU   4  -8.345   1.117  -0.720
   27    HB3  LEU   4           1HB      LEU   4  -7.012   1.070  -1.872
   28    HG   LEU   4           HG       LEU   4  -7.657  -1.595  -1.653
   29   HD11  LEU   4          1HD1      LEU   4  -9.734  -0.496  -0.347
   30   HD12  LEU   4          2HD1      LEU   4  -9.912  -1.931  -1.356
   31   HD13  LEU   4          3HD1      LEU   4 -10.340  -0.344  -1.996
   32   HD21  LEU   4          3HD2      LEU   4  -7.334   0.032  -3.672
   33   HD22  LEU   4          1HD2      LEU   4  -9.090   0.189  -3.615
   34   HD23  LEU   4          2HD2      LEU   4  -8.354  -1.390  -3.891
   35    H    GLU   5           H        GLU   5  -6.223   2.459   0.500
   36    HA   GLU   5           HA       GLU   5  -3.693   2.882  -0.706
   37    HB2  GLU   5           2HB      GLU   5  -5.583   4.358   0.640
   38    HB3  GLU   5           1HB      GLU   5  -4.252   4.350   1.796
   39    HG2  GLU   5           2HG      GLU   5  -3.910   6.259   0.386
   40    HG3  GLU   5           1HG      GLU   5  -2.734   5.046  -0.121
   41    H    LYS   6           H        LYS   6  -4.560   1.747   2.530
   42    HA   LYS   6           HA       LYS   6  -1.919   1.703   3.635
   43    HB2  LYS   6           2HB      LYS   6  -4.398   1.337   4.574
   44    HB3  LYS   6           1HB      LYS   6  -3.978  -0.358   4.322
   45    HG2  LYS   6           2HG      LYS   6  -2.587  -0.377   6.103
   46    HG3  LYS   6           1HG      LYS   6  -1.811   1.126   5.603
   47    HD2  LYS   6           2HD      LYS   6  -2.823   1.747   7.620
   48    HD3  LYS   6           1HD      LYS   6  -4.030   2.243   6.433
   49    HE2  LYS   6           2HE      LYS   6  -5.458   0.453   6.942
   50    HE3  LYS   6           1HE      LYS   6  -4.143  -0.529   7.616
   51    HZ1  LYS   6           3HZ      LYS   6  -5.611   0.582   9.305
   52    HZ2  LYS   6           1HZ      LYS   6  -4.983   2.066   8.780
   53    HZ3  LYS   6           2HZ      LYS   6  -3.950   0.906   9.467
   54    H    LEU   7           H        LEU   7  -3.411  -0.161   1.158
   55    HA   LEU   7           HA       LEU   7  -1.551  -2.431   1.539
   56    HB2  LEU   7           2HB      LEU   7  -3.247  -3.657   0.631
   57    HB3  LEU   7           1HB      LEU   7  -4.232  -2.232   0.942
   58    HG   LEU   7           HG       LEU   7  -3.366  -1.447  -1.402
   59   HD11  LEU   7          1HD1      LEU   7  -2.234  -2.934  -2.668
   60   HD12  LEU   7          2HD1      LEU   7  -3.379  -4.222  -2.295
   61   HD13  LEU   7          3HD1      LEU   7  -2.034  -3.896  -1.204
   62   HD21  LEU   7          3HD2      LEU   7  -5.191  -3.609  -2.008
   63   HD22  LEU   7          1HD2      LEU   7  -5.511  -1.876  -1.948
   64   HD23  LEU   7          2HD2      LEU   7  -5.642  -2.849  -0.483
   65    H    MET   8           H        MET   8  -2.232   0.285  -0.565
   66    HA   MET   8           HA       MET   8  -0.474  -0.600  -2.719
   67    HB2  MET   8           2HB      MET   8  -2.546   0.825  -2.936
   68    HB3  MET   8           1HB      MET   8  -1.663   2.125  -2.136
   69    HG2  MET   8           2HG      MET   8  -0.266   2.478  -3.940
   70    HG3  MET   8           1HG      MET   8  -0.370   0.803  -4.482
   71    HE1  MET   8           3HE      MET   8  -2.228   4.373  -6.029
   72    HE2  MET   8           1HE      MET   8  -1.102   4.136  -4.686
   73    HE3  MET   8           2HE      MET   8  -2.833   4.242  -4.380
   74    H    LYS   9           H        LYS   9  -0.385   2.259  -0.554
   75    HA   LYS   9           HA       LYS   9   2.255   3.083  -1.065
   76    HB2  LYS   9           2HB      LYS   9   0.195   3.384   1.013
   77    HB3  LYS   9           1HB      LYS   9   1.836   3.608   1.622
   78    HG2  LYS   9           2HG      LYS   9   1.038   5.760   0.865
   79    HG3  LYS   9           1HG      LYS   9   2.244   5.198  -0.293
   80    HD2  LYS   9           2HD      LYS   9   0.083   4.128  -1.450
   81    HD3  LYS   9           1HD      LYS   9  -0.712   5.462  -0.613
   82    HE2  LYS   9           2HE      LYS   9   1.725   5.818  -2.392
   83    HE3  LYS   9           1HE      LYS   9   0.054   6.075  -2.934
   84    HZ1  LYS   9           3HZ      LYS   9  -0.250   7.613  -1.068
   85    HZ2  LYS   9           1HZ      LYS   9   0.969   8.145  -2.120
   86    HZ3  LYS   9           2HZ      LYS   9   1.384   7.421  -0.640
   87    H    ALA  10           H        ALA  10   1.101   0.380   0.842
   88    HA   ALA  10           HA       ALA  10   3.418  -0.104   2.436
   89    HB1  ALA  10           1HB      ALA  10   1.691  -1.428   3.130
   90    HB2  ALA  10           2HB      ALA  10   2.324  -2.570   1.944
   91    HB3  ALA  10           3HB      ALA  10   0.986  -1.503   1.516
   92    H    PHE  11           H        PHE  11   2.515  -1.183  -0.839
   93    HA   PHE  11           HA       PHE  11   4.889  -2.820  -1.210
   94    HB2  PHE  11           2HB      PHE  11   2.978  -1.605  -3.226
   95    HB3  PHE  11           1HB      PHE  11   3.988  -3.026  -3.462
   96    HD1  PHE  11           1HD      PHE  11   3.353  -3.877  -0.386
   97    HD2  PHE  11           2HD      PHE  11   1.013  -2.995  -3.882
   98    HE1  PHE  11           1HE      PHE  11   1.515  -5.297   0.482
   99    HE2  PHE  11           2HE      PHE  11  -0.819  -4.417  -3.014
  100    HZ   PHE  11           HZ       PHE  11  -0.569  -5.568  -0.831
  101    H    GLU  12           H        GLU  12   4.221   0.562  -1.412
  102    HA   GLU  12           HA       GLU  12   6.512   1.047  -3.257
  103    HB2  GLU  12           2HB      GLU  12   3.965   2.279  -2.603
  104    HB3  GLU  12           1HB      GLU  12   5.273   3.457  -2.489
  105    HG2  GLU  12           2HG      GLU  12   6.021   2.888  -4.750
  106    HG3  GLU  12           1HG      GLU  12   4.779   1.641  -4.869
  107    H    SER  13           H        SER  13   5.342   2.022  -0.013
  108    HA   SER  13           HA       SER  13   7.972   3.229   0.562
  109    HB2  SER  13           2HB      SER  13   5.437   4.022   1.056
  110    HB3  SER  13           1HB      SER  13   5.781   3.176   2.561
  111    HG   SER  13           HG       SER  13   7.532   4.509   2.884
  112    H    LEU  14           H        LEU  14   5.984   0.502   1.492
  113    HA   LEU  14           HA       LEU  14   7.849  -0.235   3.658
  114    HB2  LEU  14           2HB      LEU  14   5.123  -0.350   3.343
  115    HB3  LEU  14           1HB      LEU  14   5.597  -2.009   2.982
  116    HG   LEU  14           HG       LEU  14   5.148  -1.757   5.383
  117   HD11  LEU  14          1HD1      LEU  14   8.135  -1.971   4.924
  118   HD12  LEU  14          2HD1      LEU  14   6.997  -3.264   4.549
  119   HD13  LEU  14          3HD1      LEU  14   7.196  -2.721   6.215
  120   HD21  LEU  14          3HD2      LEU  14   7.522   0.029   5.714
  121   HD22  LEU  14          1HD2      LEU  14   6.072  -0.104   6.709
  122   HD23  LEU  14          2HD2      LEU  14   6.012   0.765   5.175
  123    H    LYS  15           H        LYS  15   8.623  -0.395   0.761
  124    HA   LYS  15           HA       LYS  15   8.595  -3.154  -0.087
  125    HB2  LYS  15           2HB      LYS  15   9.124  -0.781  -1.236
  126    HB3  LYS  15           1HB      LYS  15  10.776  -1.290  -0.888
  127    HG2  LYS  15           2HG      LYS  15   8.908  -3.265  -2.145
  128    HG3  LYS  15           1HG      LYS  15   9.600  -1.997  -3.157
  129    HD2  LYS  15           2HD      LYS  15  11.829  -2.783  -1.849
  130    HD3  LYS  15           1HD      LYS  15  10.932  -4.302  -1.835
  131    HE2  LYS  15           2HE      LYS  15  10.612  -4.099  -4.308
  132    HE3  LYS  15           1HE      LYS  15  11.632  -2.648  -4.287
  133    HZ1  LYS  15           3HZ      LYS  15  13.331  -4.013  -3.107
  134    HZ2  LYS  15           1HZ      LYS  15  13.049  -4.497  -4.708
  135    HZ3  LYS  15           2HZ      LYS  15  12.384  -5.388  -3.424
  136    H    SER  16           H        SER  16  10.967  -1.143   1.601
  137    HA   SER  16           HA       SER  16  12.056  -3.135   3.271
  138    HB2  SER  16           2HB      SER  16  12.972  -3.150   0.460
  139    HB3  SER  16           1HB      SER  16  14.276  -3.152   1.643
  140    HG   SER  16           HG       SER  16  12.043  -4.908   1.684
  141    H    PHE  17           H        PHE  17  12.607  -0.328   1.287
  142    HA   PHE  17           HA       PHE  17  14.787   0.739   2.908
  143    HB2  PHE  17           2HB      PHE  17  14.117   2.820   1.413
  144    HB3  PHE  17           1HB      PHE  17  14.911   1.429   0.683
  145    HD1  PHE  17           2HD      PHE  17  11.385   2.307   1.685
  146    HD2  PHE  17           1HD      PHE  17  14.018   0.803  -1.359
  147    HE1  PHE  17           2HE      PHE  17   9.449   1.964   0.175
  148    HE2  PHE  17           1HE      PHE  17  12.081   0.459  -2.865
  149    HZ   PHE  17           HZ       PHE  17   9.798   1.040  -2.101
  150    HN1  NH2  18           2H       PHE  17  12.940   3.447   4.575
  151    HN2  NH2  18           1H       PHE  17  14.335   3.246   3.629
  Start of MODEL   16
    1    H1   MET   1           1HT      MET   1 -15.307  -0.144   6.775
    2    H2   MET   1           2HT      MET   1 -15.675  -1.102   5.420
    3    H3   MET   1           3HT      MET   1 -14.923   0.408   5.217
    4    HA   MET   1           HA       MET   1 -13.012  -0.529   6.592
    5    HB2  MET   1           2HB      MET   1 -14.655  -2.983   5.888
    6    HB3  MET   1           1HB      MET   1 -13.012  -3.043   6.527
    7    HG2  MET   1           2HG      MET   1 -14.108  -3.149   8.536
    8    HG3  MET   1           1HG      MET   1 -14.144  -1.396   8.350
    9    HE1  MET   1           3HE      MET   1 -17.619  -1.838   9.808
   10    HE2  MET   1           1HE      MET   1 -16.175  -0.821   9.712
   11    HE3  MET   1           2HE      MET   1 -16.048  -2.486  10.275
   12    H    ALA   2           H        ALA   2 -11.880   0.405   4.852
   13    HA   ALA   2           HA       ALA   2 -11.927  -1.094   2.254
   14    HB1  ALA   2           1HB      ALA   2 -12.481   1.533   2.791
   15    HB2  ALA   2           2HB      ALA   2 -11.899   0.951   1.232
   16    HB3  ALA   2           3HB      ALA   2 -10.764   1.623   2.402
   17    H    THR   3           H        THR   3  -9.647   1.071   3.980
   18    HA   THR   3           HA       THR   3  -7.308   0.901   4.272
   19    HB   THR   3           HB       THR   3  -7.925  -2.065   4.312
   20    HG1  THR   3           1HG      THR   3  -8.965  -1.780   6.121
   21   HG21  THR   3          3HG2      THR   3  -5.537  -1.127   4.532
   22   HG22  THR   3          1HG2      THR   3  -6.086  -2.228   5.795
   23   HG23  THR   3          2HG2      THR   3  -6.064  -0.489   6.089
   24    H    LEU   4           H        LEU   4  -8.079   1.109   1.558
   25    HA   LEU   4           HA       LEU   4  -6.693  -0.951   0.014
   26    HB2  LEU   4           2HB      LEU   4  -8.100   1.659  -0.593
   27    HB3  LEU   4           1HB      LEU   4  -7.331   0.691  -1.853
   28    HG   LEU   4           HG       LEU   4  -9.215  -0.670   0.033
   29   HD11  LEU   4          1HD1      LEU   4 -10.115   1.608  -1.067
   30   HD12  LEU   4          2HD1      LEU   4 -11.138   0.179  -0.909
   31   HD13  LEU   4          3HD1      LEU   4 -10.353   0.535  -2.447
   32   HD21  LEU   4          3HD2      LEU   4  -9.515  -2.151  -1.802
   33   HD22  LEU   4          1HD2      LEU   4  -7.795  -1.758  -1.828
   34   HD23  LEU   4          2HD2      LEU   4  -8.897  -0.971  -2.958
   35    H    GLU   5           H        GLU   5  -6.244   2.592   0.451
   36    HA   GLU   5           HA       GLU   5  -3.737   2.772  -0.857
   37    HB2  GLU   5           2HB      GLU   5  -5.353   4.309   1.088
   38    HB3  GLU   5           1HB      GLU   5  -3.624   4.660   1.139
   39    HG2  GLU   5           2HG      GLU   5  -3.928   4.713  -1.510
   40    HG3  GLU   5           1HG      GLU   5  -5.587   5.118  -1.067
   41    H    LYS   6           H        LYS   6  -4.555   1.853   2.456
   42    HA   LYS   6           HA       LYS   6  -1.891   1.770   3.500
   43    HB2  LYS   6           2HB      LYS   6  -4.509   1.301   4.359
   44    HB3  LYS   6           1HB      LYS   6  -3.734  -0.276   4.499
   45    HG2  LYS   6           2HG      LYS   6  -3.383   0.884   6.584
   46    HG3  LYS   6           1HG      LYS   6  -1.841   0.857   5.727
   47    HD2  LYS   6           2HD      LYS   6  -1.976   3.124   5.143
   48    HD3  LYS   6           1HD      LYS   6  -3.726   3.175   5.366
   49    HE2  LYS   6           2HE      LYS   6  -2.926   2.485   7.887
   50    HE3  LYS   6           1HE      LYS   6  -1.572   3.509   7.369
   51    HZ1  LYS   6           3HZ      LYS   6  -3.252   4.944   8.214
   52    HZ2  LYS   6           1HZ      LYS   6  -4.463   4.181   7.304
   53    HZ3  LYS   6           2HZ      LYS   6  -3.271   5.105   6.523
   54    H    LEU   7           H        LEU   7  -3.516  -0.150   1.152
   55    HA   LEU   7           HA       LEU   7  -1.767  -2.488   1.567
   56    HB2  LEU   7           2HB      LEU   7  -3.478  -3.618   0.544
   57    HB3  LEU   7           1HB      LEU   7  -4.401  -2.161   0.894
   58    HG   LEU   7           HG       LEU   7  -3.425  -1.337  -1.412
   59   HD11  LEU   7          1HD1      LEU   7  -2.608  -2.924  -2.857
   60   HD12  LEU   7          2HD1      LEU   7  -3.592  -4.212  -2.162
   61   HD13  LEU   7          3HD1      LEU   7  -2.118  -3.693  -1.347
   62   HD21  LEU   7          3HD2      LEU   7  -5.688  -1.492  -1.597
   63   HD22  LEU   7          1HD2      LEU   7  -5.749  -2.999  -0.684
   64   HD23  LEU   7          2HD2      LEU   7  -5.359  -3.025  -2.403
   65    H    MET   8           H        MET   8  -2.163   0.294  -0.499
   66    HA   MET   8           HA       MET   8  -0.293  -0.702  -2.539
   67    HB2  MET   8           2HB      MET   8  -2.488   0.987  -2.479
   68    HB3  MET   8           1HB      MET   8  -1.135   2.112  -2.588
   69    HG2  MET   8           2HG      MET   8  -1.271   1.693  -4.823
   70    HG3  MET   8           1HG      MET   8  -0.379   0.228  -4.414
   71    HE1  MET   8           3HE      MET   8  -0.807  -1.701  -4.752
   72    HE2  MET   8           1HE      MET   8  -1.582  -1.696  -6.342
   73    HE3  MET   8           2HE      MET   8  -2.307  -2.588  -5.006
   74    H    LYS   9           H        LYS   9  -0.477   1.982  -0.184
   75    HA   LYS   9           HA       LYS   9   2.030   3.177  -0.630
   76    HB2  LYS   9           2HB      LYS   9  -0.048   3.114   1.365
   77    HB3  LYS   9           1HB      LYS   9   1.520   3.110   2.172
   78    HG2  LYS   9           2HG      LYS   9   1.322   5.377   1.875
   79    HG3  LYS   9           1HG      LYS   9   2.012   4.982   0.300
   80    HD2  LYS   9           2HD      LYS   9  -0.596   4.545  -0.242
   81    HD3  LYS   9           1HD      LYS   9  -0.763   5.782   1.004
   82    HE2  LYS   9           2HE      LYS   9   1.268   6.825  -0.537
   83    HE3  LYS   9           1HE      LYS   9   0.242   6.041  -1.755
   84    HZ1  LYS   9           3HZ      LYS   9  -1.695   7.090  -0.678
   85    HZ2  LYS   9           1HZ      LYS   9  -0.614   8.231  -1.317
   86    HZ3  LYS   9           2HZ      LYS   9  -0.646   7.936   0.356
   87    H    ALA  10           H        ALA  10   1.281   0.119   0.905
   88    HA   ALA  10           HA       ALA  10   3.810  -0.216   2.270
   89    HB1  ALA  10           1HB      ALA  10   1.348  -1.738   1.647
   90    HB2  ALA  10           2HB      ALA  10   2.246  -1.633   3.161
   91    HB3  ALA  10           3HB      ALA  10   2.789  -2.726   1.887
   92    H    PHE  11           H        PHE  11   2.539  -1.205  -0.909
   93    HA   PHE  11           HA       PHE  11   4.798  -2.834  -1.629
   94    HB2  PHE  11           2HB      PHE  11   2.814  -1.318  -3.348
   95    HB3  PHE  11           1HB      PHE  11   3.757  -2.720  -3.844
   96    HD1  PHE  11           2HD      PHE  11   3.318  -3.860  -0.792
   97    HD2  PHE  11           1HD      PHE  11   0.794  -2.659  -4.058
   98    HE1  PHE  11           2HE      PHE  11   1.519  -5.338   0.054
   99    HE2  PHE  11           1HE      PHE  11  -1.001  -4.142  -3.211
  100    HZ   PHE  11           HZ       PHE  11  -0.640  -5.482  -1.157
  101    H    GLU  12           H        GLU  12   4.453   0.553  -1.338
  102    HA   GLU  12           HA       GLU  12   6.837   0.988  -3.114
  103    HB2  GLU  12           2HB      GLU  12   4.215   2.230  -2.858
  104    HB3  GLU  12           1HB      GLU  12   5.507   3.415  -2.680
  105    HG2  GLU  12           2HG      GLU  12   5.862   1.458  -4.878
  106    HG3  GLU  12           1HG      GLU  12   4.542   2.607  -5.084
  107    H    SER  13           H        SER  13   5.206   2.002  -0.118
  108    HA   SER  13           HA       SER  13   7.452   3.630   0.756
  109    HB2  SER  13           2HB      SER  13   5.099   2.638   2.364
  110    HB3  SER  13           1HB      SER  13   6.035   4.107   2.626
  111    HG   SER  13           HG       SER  13   4.864   5.071   1.174
  112    H    LEU  14           H        LEU  14   6.428   0.326   1.225
  113    HA   LEU  14           HA       LEU  14   7.677  -0.372   3.647
  114    HB2  LEU  14           2HB      LEU  14   6.307  -1.902   2.356
  115    HB3  LEU  14           1HB      LEU  14   7.455  -1.868   1.018
  116    HG   LEU  14           HG       LEU  14   9.181  -2.857   2.529
  117   HD11  LEU  14          1HD1      LEU  14   8.003  -3.988   4.617
  118   HD12  LEU  14          2HD1      LEU  14   6.890  -2.631   4.449
  119   HD13  LEU  14          3HD1      LEU  14   8.607  -2.334   4.717
  120   HD21  LEU  14          3HD2      LEU  14   8.041  -4.417   1.136
  121   HD22  LEU  14          1HD2      LEU  14   6.562  -4.304   2.091
  122   HD23  LEU  14          2HD2      LEU  14   7.979  -5.119   2.753
  123    H    LYS  15           H        LYS  15   9.242  -1.040   0.494
  124    HA   LYS  15           HA       LYS  15  11.838  -0.149   1.695
  125    HB2  LYS  15           2HB      LYS  15  11.281  -2.686   1.624
  126    HB3  LYS  15           1HB      LYS  15  11.553  -2.543  -0.113
  127    HG2  LYS  15           2HG      LYS  15  13.696  -1.186   1.176
  128    HG3  LYS  15           1HG      LYS  15  13.504  -2.739   1.990
  129    HD2  LYS  15           2HD      LYS  15  13.597  -3.904  -0.171
  130    HD3  LYS  15           1HD      LYS  15  13.746  -2.359  -1.009
  131    HE2  LYS  15           2HE      LYS  15  15.805  -2.030   0.643
  132    HE3  LYS  15           1HE      LYS  15  15.775  -3.805   0.657
  133    HZ1  LYS  15           3HZ      LYS  15  17.102  -2.910  -1.197
  134    HZ2  LYS  15           1HZ      LYS  15  15.722  -2.127  -1.796
  135    HZ3  LYS  15           2HZ      LYS  15  15.776  -3.824  -1.736
  136    H    SER  16           H        SER  16   9.850  -0.585  -1.187
  137    HA   SER  16           HA       SER  16  11.723   0.142  -3.188
  138    HB2  SER  16           2HB      SER  16   9.083  -0.583  -3.023
  139    HB3  SER  16           1HB      SER  16   8.954   1.106  -3.508
  140    HG   SER  16           HG       SER  16   9.485   0.445  -5.421
  141    H    PHE  17           H        PHE  17  10.330   2.073  -0.694
  142    HA   PHE  17           HA       PHE  17  10.075   4.628  -1.805
  143    HB2  PHE  17           2HB      PHE  17  10.426   5.397   0.454
  144    HB3  PHE  17           1HB      PHE  17   9.657   3.815   0.565
  145    HD1  PHE  17           2HD      PHE  17  12.877   5.634   0.861
  146    HD2  PHE  17           1HD      PHE  17  10.812   1.922   1.506
  147    HE1  PHE  17           2HE      PHE  17  14.784   4.807   2.210
  148    HE2  PHE  17           1HE      PHE  17  12.722   1.097   2.857
  149    HZ   PHE  17           HZ       PHE  17  14.707   2.539   3.208
  150    HN1  NH2  18           2H       PHE  17  13.257   6.015  -2.513
  151    HN2  NH2  18           1H       PHE  17  11.575   6.238  -2.488
  Start of MODEL   17
    1    H1   MET   1           1HT      MET   1 -13.427  -1.611   7.006
    2    H2   MET   1           2HT      MET   1 -12.210  -0.850   6.096
    3    H3   MET   1           3HT      MET   1 -12.389  -2.538   6.036
    4    HA   MET   1           HA       MET   1 -14.679  -2.157   5.087
    5    HB2  MET   1           2HB      MET   1 -13.475   0.604   5.248
    6    HB3  MET   1           1HB      MET   1 -14.733   0.238   4.065
    7    HG2  MET   1           2HG      MET   1 -15.941  -0.810   6.189
    8    HG3  MET   1           1HG      MET   1 -14.905   0.328   7.051
    9    HE1  MET   1           3HE      MET   1 -15.680   3.676   6.084
   10    HE2  MET   1           1HE      MET   1 -14.673   2.449   6.864
   11    HE3  MET   1           2HE      MET   1 -16.224   2.897   7.568
   12    H    ALA   2           H        ALA   2 -11.505  -0.765   4.229
   13    HA   ALA   2           HA       ALA   2 -11.385  -2.498   1.842
   14    HB1  ALA   2           1HB      ALA   2 -12.650  -0.152   1.540
   15    HB2  ALA   2           2HB      ALA   2 -11.626  -0.820   0.270
   16    HB3  ALA   2           3HB      ALA   2 -10.993   0.422   1.350
   17    H    THR   3           H        THR   3  -9.896   0.315   3.483
   18    HA   THR   3           HA       THR   3  -7.614   0.880   3.785
   19    HB   THR   3           HB       THR   3  -6.406  -0.982   4.854
   20    HG1  THR   3           1HG      THR   3  -7.005  -2.608   3.398
   21   HG21  THR   3          3HG2      THR   3  -8.059  -1.524   6.579
   22   HG22  THR   3          1HG2      THR   3  -9.365  -1.023   5.506
   23   HG23  THR   3          2HG2      THR   3  -8.211   0.168   6.104
   24    H    LEU   4           H        LEU   4  -8.220   0.568   1.038
   25    HA   LEU   4           HA       LEU   4  -6.389  -1.213  -0.294
   26    HB2  LEU   4           2HB      LEU   4  -7.977   1.243  -1.062
   27    HB3  LEU   4           1HB      LEU   4  -6.970   0.387  -2.230
   28    HG   LEU   4           HG       LEU   4  -8.889  -1.203  -0.572
   29   HD11  LEU   4          1HD1      LEU   4  -9.612   0.545  -2.939
   30   HD12  LEU   4          2HD1      LEU   4 -10.330   0.572  -1.328
   31   HD13  LEU   4          3HD1      LEU   4 -10.607  -0.805  -2.395
   32   HD21  LEU   4          3HD2      LEU   4  -7.736  -1.345  -3.371
   33   HD22  LEU   4          1HD2      LEU   4  -9.004  -2.430  -2.804
   34   HD23  LEU   4          2HD2      LEU   4  -7.424  -2.438  -2.023
   35    H    GLU   5           H        GLU   5  -6.298   2.338   0.251
   36    HA   GLU   5           HA       GLU   5  -3.729   2.785  -0.856
   37    HB2  GLU   5           2HB      GLU   5  -5.650   4.115   0.933
   38    HB3  GLU   5           1HB      GLU   5  -3.977   4.585   1.238
   39    HG2  GLU   5           2HG      GLU   5  -3.706   5.078  -1.190
   40    HG3  GLU   5           1HG      GLU   5  -5.412   4.701  -1.431
   41    H    LYS   6           H        LYS   6  -4.705   1.744   2.379
   42    HA   LYS   6           HA       LYS   6  -2.109   1.838   3.590
   43    HB2  LYS   6           2HB      LYS   6  -4.670   1.376   4.384
   44    HB3  LYS   6           1HB      LYS   6  -4.048  -0.274   4.367
   45    HG2  LYS   6           2HG      LYS   6  -2.018   1.250   5.575
   46    HG3  LYS   6           1HG      LYS   6  -3.520   1.863   6.267
   47    HD2  LYS   6           2HD      LYS   6  -3.678  -1.003   6.130
   48    HD3  LYS   6           1HD      LYS   6  -2.162  -0.556   6.912
   49    HE2  LYS   6           2HE      LYS   6  -3.580  -0.500   8.754
   50    HE3  LYS   6           1HE      LYS   6  -3.785   1.170   8.186
   51    HZ1  LYS   6           3HZ      LYS   6  -5.918  -0.037   8.486
   52    HZ2  LYS   6           1HZ      LYS   6  -5.441  -1.119   7.269
   53    HZ3  LYS   6           2HZ      LYS   6  -5.675   0.523   6.900
   54    H    LEU   7           H        LEU   7  -3.443  -0.167   1.141
   55    HA   LEU   7           HA       LEU   7  -1.542  -2.366   1.705
   56    HB2  LEU   7           2HB      LEU   7  -3.180  -3.687   0.828
   57    HB3  LEU   7           1HB      LEU   7  -4.210  -2.275   1.025
   58    HG   LEU   7           HG       LEU   7  -3.298  -1.604  -1.337
   59   HD11  LEU   7          1HD1      LEU   7  -2.265  -3.205  -2.607
   60   HD12  LEU   7          2HD1      LEU   7  -3.154  -4.526  -1.848
   61   HD13  LEU   7          3HD1      LEU   7  -1.765  -3.813  -1.029
   62   HD21  LEU   7          3HD2      LEU   7  -5.403  -2.150  -1.942
   63   HD22  LEU   7          1HD2      LEU   7  -5.563  -3.002  -0.406
   64   HD23  LEU   7          2HD2      LEU   7  -5.034  -3.871  -1.846
   65    H    MET   8           H        MET   8  -2.174   0.259  -0.506
   66    HA   MET   8           HA       MET   8  -0.366  -0.722  -2.585
   67    HB2  MET   8           2HB      MET   8  -2.445   0.630  -2.973
   68    HB3  MET   8           1HB      MET   8  -1.660   1.987  -2.165
   69    HG2  MET   8           2HG      MET   8   0.257   1.617  -3.880
   70    HG3  MET   8           1HG      MET   8  -0.938   0.689  -4.786
   71    HE1  MET   8           3HE      MET   8   0.265   2.797  -6.298
   72    HE2  MET   8           1HE      MET   8  -1.042   3.821  -6.909
   73    HE3  MET   8           2HE      MET   8  -1.227   2.069  -6.884
   74    H    LYS   9           H        LYS   9  -0.410   2.125  -0.415
   75    HA   LYS   9           HA       LYS   9   2.171   3.119  -0.921
   76    HB2  LYS   9           2HB      LYS   9   0.861   4.481   0.417
   77    HB3  LYS   9           1HB      LYS   9   0.193   3.123   1.318
   78    HG2  LYS   9           2HG      LYS   9   3.106   3.716   1.649
   79    HG3  LYS   9           1HG      LYS   9   1.948   4.792   2.432
   80    HD2  LYS   9           2HD      LYS   9   1.089   2.092   2.864
   81    HD3  LYS   9           1HD      LYS   9   2.797   2.203   3.291
   82    HE2  LYS   9           2HE      LYS   9   2.294   4.181   4.725
   83    HE3  LYS   9           1HE      LYS   9   0.570   3.987   4.344
   84    HZ1  LYS   9           3HZ      LYS   9   2.299   1.864   5.500
   85    HZ2  LYS   9           1HZ      LYS   9   0.634   1.753   5.200
   86    HZ3  LYS   9           2HZ      LYS   9   1.210   2.813   6.396
   87    H    ALA  10           H        ALA  10   1.210   0.264   0.862
   88    HA   ALA  10           HA       ALA  10   3.612  -0.119   2.387
   89    HB1  ALA  10           1HB      ALA  10   1.935  -1.475   3.153
   90    HB2  ALA  10           2HB      ALA  10   2.590  -2.614   1.975
   91    HB3  ALA  10           3HB      ALA  10   1.196  -1.616   1.559
   92    H    PHE  11           H        PHE  11   2.584  -1.213  -0.848
   93    HA   PHE  11           HA       PHE  11   4.942  -2.817  -1.350
   94    HB2  PHE  11           2HB      PHE  11   2.958  -1.519  -3.243
   95    HB3  PHE  11           1HB      PHE  11   3.989  -2.900  -3.605
   96    HD1  PHE  11           1HD      PHE  11   3.501  -3.935  -0.556
   97    HD2  PHE  11           2HD      PHE  11   1.001  -2.926  -3.904
   98    HE1  PHE  11           1HE      PHE  11   1.737  -5.452   0.300
   99    HE2  PHE  11           2HE      PHE  11  -0.759  -4.444  -3.047
  100    HZ   PHE  11           HZ       PHE  11  -0.392  -5.708  -0.945
  101    H    GLU  12           H        GLU  12   4.321   0.578  -1.420
  102    HA   GLU  12           HA       GLU  12   6.640   1.057  -3.250
  103    HB2  GLU  12           2HB      GLU  12   4.054   2.141  -2.987
  104    HB3  GLU  12           1HB      GLU  12   5.142   3.394  -2.391
  105    HG2  GLU  12           2HG      GLU  12   6.112   3.719  -4.440
  106    HG3  GLU  12           1HG      GLU  12   5.984   2.016  -4.885
  107    H    SER  13           H        SER  13   5.316   2.024  -0.076
  108    HA   SER  13           HA       SER  13   7.909   3.266   0.617
  109    HB2  SER  13           2HB      SER  13   5.453   4.205   0.899
  110    HB3  SER  13           1HB      SER  13   5.484   3.241   2.373
  111    HG   SER  13           HG       SER  13   6.357   5.593   2.230
  112    H    LEU  14           H        LEU  14   5.983   0.462   1.309
  113    HA   LEU  14           HA       LEU  14   7.785  -0.240   3.567
  114    HB2  LEU  14           2HB      LEU  14   5.139   0.006   3.645
  115    HB3  LEU  14           1HB      LEU  14   5.202  -1.640   3.012
  116    HG   LEU  14           HG       LEU  14   7.085  -1.699   5.038
  117   HD11  LEU  14          1HD1      LEU  14   6.166  -0.619   6.964
  118   HD12  LEU  14          2HD1      LEU  14   4.677  -0.214   6.110
  119   HD13  LEU  14          3HD1      LEU  14   6.184   0.599   5.689
  120   HD21  LEU  14          3HD2      LEU  14   4.990  -2.721   6.323
  121   HD22  LEU  14          1HD2      LEU  14   5.673  -3.536   4.916
  122   HD23  LEU  14          2HD2      LEU  14   4.226  -2.542   4.744
  123    H    LYS  15           H        LYS  15   8.638  -0.644   0.856
  124    HA   LYS  15           HA       LYS  15   8.107  -3.361  -0.010
  125    HB2  LYS  15           2HB      LYS  15   9.053  -1.130  -1.168
  126    HB3  LYS  15           1HB      LYS  15  10.591  -1.898  -0.772
  127    HG2  LYS  15           2HG      LYS  15   8.413  -3.487  -2.108
  128    HG3  LYS  15           1HG      LYS  15   9.467  -2.447  -3.067
  129    HD2  LYS  15           2HD      LYS  15  11.387  -3.648  -1.716
  130    HD3  LYS  15           1HD      LYS  15  10.162  -4.895  -1.475
  131    HE2  LYS  15           2HE      LYS  15  10.311  -3.934  -4.258
  132    HE3  LYS  15           1HE      LYS  15  11.793  -4.733  -3.694
  133    HZ1  LYS  15           3HZ      LYS  15   9.020  -5.788  -3.555
  134    HZ2  LYS  15           1HZ      LYS  15  10.335  -6.499  -2.751
  135    HZ3  LYS  15           2HZ      LYS  15  10.318  -6.426  -4.448
  136    H    SER  16           H        SER  16  10.767  -1.776   1.714
  137    HA   SER  16           HA       SER  16  11.460  -3.919   3.415
  138    HB2  SER  16           2HB      SER  16  12.389  -4.126   0.620
  139    HB3  SER  16           1HB      SER  16  13.660  -4.354   1.819
  140    HG   SER  16           HG       SER  16  12.854  -6.292   1.954
  141    H    PHE  17           H        PHE  17  12.174  -0.985   1.819
  142    HA   PHE  17           HA       PHE  17  14.756  -0.237   2.487
  143    HB2  PHE  17           2HB      PHE  17  12.511   1.662   3.091
  144    HB3  PHE  17           1HB      PHE  17  13.987   1.939   2.177
  145    HD1  PHE  17           2HD      PHE  17  14.209   0.537  -0.065
  146    HD2  PHE  17           1HD      PHE  17  10.505   1.379   1.939
  147    HE1  PHE  17           2HE      PHE  17  12.971   0.104  -2.170
  148    HE2  PHE  17           1HE      PHE  17   9.268   0.943  -0.163
  149    HZ   PHE  17           HZ       PHE  17  10.501   0.309  -2.220
  150    HN1  NH2  18           2H       PHE  17  12.883   0.397   6.116
  151    HN2  NH2  18           1H       PHE  17  11.982   0.529   4.683
  Start of MODEL   18
    1    H1   MET   1           1HT      MET   1 -15.487   0.912   5.236
    2    H2   MET   1           2HT      MET   1 -16.180  -0.634   5.103
    3    H3   MET   1           3HT      MET   1 -16.214   0.432   3.780
    4    HA   MET   1           HA       MET   1 -13.792  -0.846   4.949
    5    HB2  MET   1           2HB      MET   1 -15.513  -1.201   2.491
    6    HB3  MET   1           1HB      MET   1 -13.854  -1.796   2.541
    7    HG2  MET   1           2HG      MET   1 -14.651  -2.841   4.846
    8    HG3  MET   1           1HG      MET   1 -16.243  -2.709   4.098
    9    HE1  MET   1           3HE      MET   1 -12.536  -4.912   2.944
   10    HE2  MET   1           1HE      MET   1 -13.409  -5.567   4.336
   11    HE3  MET   1           2HE      MET   1 -12.927  -3.874   4.312
   12    H    ALA   2           H        ALA   2 -11.910   0.234   4.470
   13    HA   ALA   2           HA       ALA   2 -11.580   1.841   2.062
   14    HB1  ALA   2           1HB      ALA   2 -13.052   3.217   3.603
   15    HB2  ALA   2           2HB      ALA   2 -11.545   4.007   3.137
   16    HB3  ALA   2           3HB      ALA   2 -11.698   3.271   4.733
   17    H    THR   3           H        THR   3  -9.986  -0.210   2.853
   18    HA   THR   3           HA       THR   3  -7.562   1.139   3.998
   19    HB   THR   3           HB       THR   3  -8.545  -0.500   5.535
   20    HG1  THR   3           1HG      THR   3  -6.734  -1.951   5.599
   21   HG21  THR   3          3HG2      THR   3  -8.305  -2.980   4.499
   22   HG22  THR   3          1HG2      THR   3  -8.710  -2.090   3.031
   23   HG23  THR   3          2HG2      THR   3  -9.802  -2.052   4.416
   24    H    LEU   4           H        LEU   4  -8.171   1.127   1.214
   25    HA   LEU   4           HA       LEU   4  -6.664  -1.043  -0.043
   26    HB2  LEU   4           2HB      LEU   4  -8.199   1.397  -0.891
   27    HB3  LEU   4           1HB      LEU   4  -7.139   0.600  -2.053
   28    HG   LEU   4           HG       LEU   4  -8.363  -1.582  -1.223
   29   HD11  LEU   4          1HD1      LEU   4  -9.761  -0.871   0.496
   30   HD12  LEU   4          2HD1      LEU   4 -10.862  -0.791  -0.880
   31   HD13  LEU   4          3HD1      LEU   4 -10.095   0.678  -0.278
   32   HD21  LEU   4          3HD2      LEU   4  -8.436  -0.565  -3.516
   33   HD22  LEU   4          1HD2      LEU   4  -9.797   0.427  -2.988
   34   HD23  LEU   4          2HD2      LEU   4  -9.955  -1.329  -3.048
   35    H    GLU   5           H        GLU   5  -6.285   2.522   0.190
   36    HA   GLU   5           HA       GLU   5  -3.715   2.675  -0.991
   37    HB2  GLU   5           2HB      GLU   5  -5.559   4.337   0.425
   38    HB3  GLU   5           1HB      GLU   5  -3.976   4.556   1.171
   39    HG2  GLU   5           2HG      GLU   5  -3.804   6.098  -0.541
   40    HG3  GLU   5           1HG      GLU   5  -3.192   4.669  -1.373
   41    H    LYS   6           H        LYS   6  -4.689   1.959   2.333
   42    HA   LYS   6           HA       LYS   6  -2.081   1.946   3.506
   43    HB2  LYS   6           2HB      LYS   6  -4.805   1.270   4.158
   44    HB3  LYS   6           1HB      LYS   6  -3.751  -0.037   4.698
   45    HG2  LYS   6           2HG      LYS   6  -2.279   2.032   5.554
   46    HG3  LYS   6           1HG      LYS   6  -3.864   2.804   5.601
   47    HD2  LYS   6           2HD      LYS   6  -4.466   0.417   6.747
   48    HD3  LYS   6           1HD      LYS   6  -2.788   0.595   7.263
   49    HE2  LYS   6           2HE      LYS   6  -4.550   2.998   7.521
   50    HE3  LYS   6           1HE      LYS   6  -4.782   1.677   8.683
   51    HZ1  LYS   6           3HZ      LYS   6  -2.240   3.072   8.043
   52    HZ2  LYS   6           1HZ      LYS   6  -2.327   1.657   8.973
   53    HZ3  LYS   6           2HZ      LYS   6  -3.068   3.083   9.527
   54    H    LEU   7           H        LEU   7  -3.568  -0.120   1.191
   55    HA   LEU   7           HA       LEU   7  -1.804  -2.399   1.836
   56    HB2  LEU   7           2HB      LEU   7  -3.478  -3.637   0.886
   57    HB3  LEU   7           1HB      LEU   7  -4.431  -2.173   1.092
   58    HG   LEU   7           HG       LEU   7  -3.393  -1.548  -1.265
   59   HD11  LEU   7          1HD1      LEU   7  -1.988  -3.709  -1.142
   60   HD12  LEU   7          2HD1      LEU   7  -2.853  -3.399  -2.647
   61   HD13  LEU   7          3HD1      LEU   7  -3.495  -4.559  -1.484
   62   HD21  LEU   7          3HD2      LEU   7  -5.783  -2.959  -0.379
   63   HD22  LEU   7          1HD2      LEU   7  -5.359  -3.391  -2.036
   64   HD23  LEU   7          2HD2      LEU   7  -5.621  -1.702  -1.604
   65    H    MET   8           H        MET   8  -2.231   0.185  -0.483
   66    HA   MET   8           HA       MET   8  -0.312  -0.936  -2.400
   67    HB2  MET   8           2HB      MET   8  -2.516   0.642  -2.586
   68    HB3  MET   8           1HB      MET   8  -1.251   1.872  -2.574
   69    HG2  MET   8           2HG      MET   8  -1.468   1.354  -4.859
   70    HG3  MET   8           1HG      MET   8  -0.089   0.377  -4.355
   71    HE1  MET   8           3HE      MET   8  -1.363  -1.236  -7.034
   72    HE2  MET   8           1HE      MET   8  -1.854   0.427  -6.683
   73    HE3  MET   8           2HE      MET   8  -3.071  -0.828  -6.901
   74    H    LYS   9           H        LYS   9  -0.514   1.829  -0.151
   75    HA   LYS   9           HA       LYS   9   1.941   3.094  -0.682
   76    HB2  LYS   9           2HB      LYS   9  -0.093   3.044   1.331
   77    HB3  LYS   9           1HB      LYS   9   1.468   3.007   2.147
   78    HG2  LYS   9           2HG      LYS   9   1.509   5.248   1.838
   79    HG3  LYS   9           1HG      LYS   9   1.867   4.886   0.150
   80    HD2  LYS   9           2HD      LYS   9  -0.998   4.772   0.915
   81    HD3  LYS   9           1HD      LYS   9  -0.262   6.375   0.927
   82    HE2  LYS   9           2HE      LYS   9   0.714   5.354  -1.433
   83    HE3  LYS   9           1HE      LYS   9  -0.909   4.638  -1.368
   84    HZ1  LYS   9           3HZ      LYS   9  -1.725   6.894  -0.715
   85    HZ2  LYS   9           1HZ      LYS   9  -1.150   6.790  -2.306
   86    HZ3  LYS   9           2HZ      LYS   9  -0.188   7.506  -1.103
   87    H    ALA  10           H        ALA  10   1.357   0.022   0.892
   88    HA   ALA  10           HA       ALA  10   3.903  -0.198   2.229
   89    HB1  ALA  10           1HB      ALA  10   3.172  -2.706   2.059
   90    HB2  ALA  10           2HB      ALA  10   1.695  -2.053   1.350
   91    HB3  ALA  10           3HB      ALA  10   2.163  -1.598   2.989
   92    H    PHE  11           H        PHE  11   2.680  -1.402  -0.912
   93    HA   PHE  11           HA       PHE  11   5.022  -2.786  -1.719
   94    HB2  PHE  11           2HB      PHE  11   3.035  -1.252  -3.418
   95    HB3  PHE  11           1HB      PHE  11   3.996  -2.640  -3.922
   96    HD1  PHE  11           2HD      PHE  11   3.696  -4.242  -1.309
   97    HD2  PHE  11           1HD      PHE  11   0.857  -2.177  -3.785
   98    HE1  PHE  11           2HE      PHE  11   1.898  -5.748  -0.506
   99    HE2  PHE  11           1HE      PHE  11  -0.937  -3.684  -2.983
  100    HZ   PHE  11           HZ       PHE  11  -0.419  -5.471  -1.344
  101    H    GLU  12           H        GLU  12   4.383   0.616  -1.497
  102    HA   GLU  12           HA       GLU  12   6.796   1.227  -3.164
  103    HB2  GLU  12           2HB      GLU  12   4.142   2.343  -2.799
  104    HB3  GLU  12           1HB      GLU  12   5.377   3.567  -2.513
  105    HG2  GLU  12           2HG      GLU  12   6.425   3.018  -4.683
  106    HG3  GLU  12           1HG      GLU  12   5.181   1.802  -4.973
  107    H    SER  13           H        SER  13   5.186   2.016  -0.082
  108    HA   SER  13           HA       SER  13   7.378   3.648   0.880
  109    HB2  SER  13           2HB      SER  13   4.896   3.754   1.473
  110    HB3  SER  13           1HB      SER  13   5.178   2.335   2.478
  111    HG   SER  13           HG       SER  13   5.424   4.647   3.347
  112    H    LEU  14           H        LEU  14   6.513   0.263   1.135
  113    HA   LEU  14           HA       LEU  14   8.014  -0.525   3.396
  114    HB2  LEU  14           2HB      LEU  14   6.481  -1.960   2.099
  115    HB3  LEU  14           1HB      LEU  14   7.620  -1.963   0.752
  116    HG   LEU  14           HG       LEU  14   9.330  -2.855   2.503
  117   HD11  LEU  14          1HD1      LEU  14   8.008  -4.309   4.202
  118   HD12  LEU  14          2HD1      LEU  14   6.675  -3.198   3.888
  119   HD13  LEU  14          3HD1      LEU  14   8.192  -2.591   4.550
  120   HD21  LEU  14          3HD2      LEU  14   8.407  -4.173   0.619
  121   HD22  LEU  14          1HD2      LEU  14   6.996  -4.574   1.599
  122   HD23  LEU  14          2HD2      LEU  14   8.591  -5.167   2.065
  123    H    LYS  15           H        LYS  15   9.202  -0.935   0.030
  124    HA   LYS  15           HA       LYS  15  11.946  -0.260   1.041
  125    HB2  LYS  15           2HB      LYS  15  11.446  -2.703   0.657
  126    HB3  LYS  15           1HB      LYS  15  11.195  -2.322  -1.047
  127    HG2  LYS  15           2HG      LYS  15  13.620  -1.102  -0.499
  128    HG3  LYS  15           1HG      LYS  15  13.702  -2.582   0.455
  129    HD2  LYS  15           2HD      LYS  15  13.596  -3.956  -1.405
  130    HD3  LYS  15           1HD      LYS  15  12.698  -2.771  -2.356
  131    HE2  LYS  15           2HE      LYS  15  15.076  -1.445  -1.912
  132    HE3  LYS  15           1HE      LYS  15  15.610  -3.127  -2.099
  133    HZ1  LYS  15           3HZ      LYS  15  15.409  -2.143  -4.266
  134    HZ2  LYS  15           1HZ      LYS  15  13.833  -1.611  -3.937
  135    HZ3  LYS  15           2HZ      LYS  15  14.156  -3.274  -4.073
  136    H    SER  16           H        SER  16   9.653  -0.137  -1.649
  137    HA   SER  16           HA       SER  16  11.346   0.956  -3.649
  138    HB2  SER  16           2HB      SER  16   8.655   0.285  -3.286
  139    HB3  SER  16           1HB      SER  16   8.630   2.003  -3.670
  140    HG   SER  16           HG       SER  16   8.945  -0.006  -5.326
  141    H    PHE  17           H        PHE  17  10.217   2.390  -0.726
  142    HA   PHE  17           HA       PHE  17   9.904   5.107  -1.366
  143    HB2  PHE  17           2HB      PHE  17  10.432   5.475   0.972
  144    HB3  PHE  17           1HB      PHE  17   9.582   3.938   0.846
  145    HD1  PHE  17           2HD      PHE  17  12.961   5.478   1.143
  146    HD2  PHE  17           1HD      PHE  17  10.620   1.895   1.505
  147    HE1  PHE  17           2HE      PHE  17  14.879   4.334   2.220
  148    HE2  PHE  17           1HE      PHE  17  12.538   0.753   2.585
  149    HZ   PHE  17           HZ       PHE  17  14.668   1.972   2.940
  150    HN1  NH2  18           2H       PHE  17  13.078   6.614  -1.896
  151    HN2  NH2  18           1H       PHE  17  11.416   6.862  -1.656
  Start of MODEL   19
    1    H1   MET   1           1HT      MET   1 -14.939   0.143   4.721
    2    H2   MET   1           2HT      MET   1 -15.469  -1.007   5.854
    3    H3   MET   1           3HT      MET   1 -15.088  -1.485   4.268
    4    HA   MET   1           HA       MET   1 -13.097  -0.319   6.143
    5    HB2  MET   1           2HB      MET   1 -14.474  -2.754   6.311
    6    HB3  MET   1           1HB      MET   1 -12.937  -3.176   5.555
    7    HG2  MET   1           2HG      MET   1 -11.900  -1.666   7.430
    8    HG3  MET   1           1HG      MET   1 -13.439  -1.940   8.249
    9    HE1  MET   1           3HE      MET   1 -11.566  -4.314  10.331
   10    HE2  MET   1           1HE      MET   1 -12.100  -2.653  10.043
   11    HE3  MET   1           2HE      MET   1 -10.491  -3.164   9.540
   12    H    ALA   2           H        ALA   2 -12.997   0.734   3.717
   13    HA   ALA   2           HA       ALA   2 -11.627  -0.979   1.759
   14    HB1  ALA   2           1HB      ALA   2 -13.119   0.683   0.925
   15    HB2  ALA   2           2HB      ALA   2 -11.507   1.315   0.590
   16    HB3  ALA   2           3HB      ALA   2 -12.428   1.931   1.963
   17    H    THR   3           H        THR   3  -9.644  -1.574   2.810
   18    HA   THR   3           HA       THR   3  -7.802   0.665   3.551
   19    HB   THR   3           HB       THR   3  -6.562  -1.326   4.612
   20    HG1  THR   3           1HG      THR   3  -7.670  -3.209   4.733
   21   HG21  THR   3          3HG2      THR   3  -8.215   0.322   5.730
   22   HG22  THR   3          1HG2      THR   3  -7.878  -1.195   6.566
   23   HG23  THR   3          2HG2      THR   3  -9.374  -1.006   5.651
   24    H    LEU   4           H        LEU   4  -8.207   0.197   0.790
   25    HA   LEU   4           HA       LEU   4  -6.201  -1.589  -0.290
   26    HB2  LEU   4           2HB      LEU   4  -8.292   0.235  -1.180
   27    HB3  LEU   4           1HB      LEU   4  -6.853   0.375  -2.190
   28    HG   LEU   4           HG       LEU   4  -7.670  -2.391  -1.501
   29   HD11  LEU   4          1HD1      LEU   4  -9.247  -1.998  -3.686
   30   HD12  LEU   4          2HD1      LEU   4  -9.470  -0.461  -2.849
   31   HD13  LEU   4          3HD1      LEU   4  -9.852  -1.975  -2.029
   32   HD21  LEU   4          3HD2      LEU   4  -6.619  -2.866  -3.492
   33   HD22  LEU   4          1HD2      LEU   4  -5.853  -1.311  -3.170
   34   HD23  LEU   4          2HD2      LEU   4  -7.221  -1.406  -4.278
   35    H    GLU   5           H        GLU   5  -6.389   1.992  -0.031
   36    HA   GLU   5           HA       GLU   5  -3.793   2.541  -1.029
   37    HB2  GLU   5           2HB      GLU   5  -5.874   3.860   0.611
   38    HB3  GLU   5           1HB      GLU   5  -4.247   4.502   0.833
   39    HG2  GLU   5           2HG      GLU   5  -4.883   5.771  -0.984
   40    HG3  GLU   5           1HG      GLU   5  -4.246   4.367  -1.840
   41    H    LYS   6           H        LYS   6  -4.891   1.680   2.221
   42    HA   LYS   6           HA       LYS   6  -2.383   2.044   3.562
   43    HB2  LYS   6           2HB      LYS   6  -5.028   0.860   4.009
   44    HB3  LYS   6           1HB      LYS   6  -3.746  -0.044   4.815
   45    HG2  LYS   6           2HG      LYS   6  -3.959   2.964   5.022
   46    HG3  LYS   6           1HG      LYS   6  -4.787   1.886   6.147
   47    HD2  LYS   6           2HD      LYS   6  -2.830   1.182   7.132
   48    HD3  LYS   6           1HD      LYS   6  -1.895   1.363   5.647
   49    HE2  LYS   6           2HE      LYS   6  -1.100   3.141   6.991
   50    HE3  LYS   6           1HE      LYS   6  -2.337   3.933   5.994
   51    HZ1  LYS   6           3HZ      LYS   6  -2.659   4.393   8.366
   52    HZ2  LYS   6           1HZ      LYS   6  -2.808   2.733   8.673
   53    HZ3  LYS   6           2HZ      LYS   6  -3.966   3.525   7.714
   54    H    LEU   7           H        LEU   7  -3.429  -0.215   1.195
   55    HA   LEU   7           HA       LEU   7  -1.376  -2.196   1.987
   56    HB2  LEU   7           2HB      LEU   7  -2.882  -3.722   1.209
   57    HB3  LEU   7           1HB      LEU   7  -4.030  -2.391   1.248
   58    HG   LEU   7           HG       LEU   7  -3.141  -1.862  -1.143
   59   HD11  LEU   7          1HD1      LEU   7  -1.949  -3.475  -2.273
   60   HD12  LEU   7          2HD1      LEU   7  -2.628  -4.793  -1.318
   61   HD13  LEU   7          3HD1      LEU   7  -1.344  -3.789  -0.646
   62   HD21  LEU   7          3HD2      LEU   7  -4.596  -4.389  -1.383
   63   HD22  LEU   7          1HD2      LEU   7  -5.115  -2.756  -1.800
   64   HD23  LEU   7          2HD2      LEU   7  -5.282  -3.339  -0.144
   65    H    MET   8           H        MET   8  -2.273   0.109  -0.495
   66    HA   MET   8           HA       MET   8  -0.365  -0.795  -2.484
   67    HB2  MET   8           2HB      MET   8  -2.547   0.539  -2.758
   68    HB3  MET   8           1HB      MET   8  -1.625   1.939  -2.208
   69    HG2  MET   8           2HG      MET   8  -1.516   1.969  -4.601
   70    HG3  MET   8           1HG      MET   8   0.057   1.398  -4.043
   71    HE1  MET   8           3HE      MET   8  -1.552   1.019  -6.976
   72    HE2  MET   8           1HE      MET   8  -0.740  -0.496  -7.396
   73    HE3  MET   8           2HE      MET   8   0.161   0.807  -6.624
   74    H    LYS   9           H        LYS   9  -0.489   2.021  -0.270
   75    HA   LYS   9           HA       LYS   9   2.016   3.175  -0.852
   76    HB2  LYS   9           2HB      LYS   9   0.056   3.106   1.349
   77    HB3  LYS   9           1HB      LYS   9   1.691   3.516   1.867
   78    HG2  LYS   9           2HG      LYS   9   1.136   5.625   1.226
   79    HG3  LYS   9           1HG      LYS   9   1.446   5.031  -0.406
   80    HD2  LYS   9           2HD      LYS   9  -0.802   4.832  -0.911
   81    HD3  LYS   9           1HD      LYS   9  -1.261   4.552   0.769
   82    HE2  LYS   9           2HE      LYS   9  -0.677   6.969   1.248
   83    HE3  LYS   9           1HE      LYS   9  -0.493   7.199  -0.501
   84    HZ1  LYS   9           3HZ      LYS   9  -2.759   7.683   0.168
   85    HZ2  LYS   9           1HZ      LYS   9  -2.909   6.151   0.878
   86    HZ3  LYS   9           2HZ      LYS   9  -2.726   6.290  -0.804
   87    H    ALA  10           H        ALA  10   1.314   0.200   0.836
   88    HA   ALA  10           HA       ALA  10   3.784  -0.029   2.295
   89    HB1  ALA  10           1HB      ALA  10   2.108  -2.294   1.202
   90    HB2  ALA  10           2HB      ALA  10   1.526  -1.276   2.520
   91    HB3  ALA  10           3HB      ALA  10   2.995  -2.231   2.725
   92    H    PHE  11           H        PHE  11   2.703  -1.631  -0.729
   93    HA   PHE  11           HA       PHE  11   5.118  -2.885  -1.424
   94    HB2  PHE  11           2HB      PHE  11   3.080  -1.573  -3.246
   95    HB3  PHE  11           1HB      PHE  11   4.138  -2.916  -3.665
   96    HD1  PHE  11           2HD      PHE  11   3.712  -4.053  -0.642
   97    HD2  PHE  11           1HD      PHE  11   1.149  -3.013  -3.930
   98    HE1  PHE  11           2HE      PHE  11   1.994  -5.630   0.196
   99    HE2  PHE  11           1HE      PHE  11  -0.566  -4.591  -3.092
  100    HZ   PHE  11           HZ       PHE  11  -0.143  -5.903  -1.030
  101    H    GLU  12           H        GLU  12   4.326   0.505  -1.518
  102    HA   GLU  12           HA       GLU  12   6.698   1.083  -3.237
  103    HB2  GLU  12           2HB      GLU  12   4.041   2.159  -2.825
  104    HB3  GLU  12           1HB      GLU  12   5.249   3.420  -2.589
  105    HG2  GLU  12           2HG      GLU  12   6.252   2.905  -4.769
  106    HG3  GLU  12           1HG      GLU  12   5.097   1.593  -5.005
  107    H    SER  13           H        SER  13   5.211   2.004  -0.119
  108    HA   SER  13           HA       SER  13   7.534   3.595   0.644
  109    HB2  SER  13           2HB      SER  13   5.113   4.059   1.203
  110    HB3  SER  13           1HB      SER  13   5.173   2.681   2.299
  111    HG   SER  13           HG       SER  13   6.080   5.202   2.643
  112    H    LEU  14           H        LEU  14   6.379   0.339   1.239
  113    HA   LEU  14           HA       LEU  14   7.821  -0.308   3.594
  114    HB2  LEU  14           2HB      LEU  14   6.097  -1.677   2.346
  115    HB3  LEU  14           1HB      LEU  14   7.349  -2.084   1.177
  116    HG   LEU  14           HG       LEU  14   6.953  -3.802   3.014
  117   HD11  LEU  14          1HD1      LEU  14   9.273  -3.026   1.734
  118   HD12  LEU  14          2HD1      LEU  14   9.077  -4.495   2.690
  119   HD13  LEU  14          3HD1      LEU  14   9.756  -3.045   3.430
  120   HD21  LEU  14          3HD2      LEU  14   6.772  -1.898   4.775
  121   HD22  LEU  14          1HD2      LEU  14   8.535  -1.932   4.774
  122   HD23  LEU  14          2HD2      LEU  14   7.624  -3.372   5.230
  123    H    LYS  15           H        LYS  15   8.932   0.111   0.292
  124    HA   LYS  15           HA       LYS  15  11.483  -1.210   0.545
  125    HB2  LYS  15           2HB      LYS  15  10.134   0.748  -1.262
  126    HB3  LYS  15           1HB      LYS  15  11.885   0.584  -1.392
  127    HG2  LYS  15           2HG      LYS  15  10.353  -1.955  -1.248
  128    HG3  LYS  15           1HG      LYS  15  10.150  -1.013  -2.726
  129    HD2  LYS  15           2HD      LYS  15  12.113  -1.845  -3.452
  130    HD3  LYS  15           1HD      LYS  15  12.912  -0.944  -2.164
  131    HE2  LYS  15           2HE      LYS  15  12.165  -2.997  -0.669
  132    HE3  LYS  15           1HE      LYS  15  12.117  -3.839  -2.230
  133    HZ1  LYS  15           3HZ      LYS  15  14.396  -2.236  -1.194
  134    HZ2  LYS  15           1HZ      LYS  15  14.343  -3.009  -2.702
  135    HZ3  LYS  15           2HZ      LYS  15  14.340  -3.932  -1.276
  136    H    SER  16           H        SER  16  10.767   2.271   0.370
  137    HA   SER  16           HA       SER  16  12.077   3.182   2.685
  138    HB2  SER  16           2HB      SER  16  14.147   2.261   2.037
  139    HB3  SER  16           1HB      SER  16  13.854   2.575   0.329
  140    HG   SER  16           HG       SER  16  14.400   4.474   2.371
  141    H    PHE  17           H        PHE  17  11.464   3.646  -0.711
  142    HA   PHE  17           HA       PHE  17  11.435   6.580  -0.500
  143    HB2  PHE  17           2HB      PHE  17  10.782   6.224  -3.006
  144    HB3  PHE  17           1HB      PHE  17  12.417   5.807  -2.500
  145    HD1  PHE  17           2HD      PHE  17   9.001   4.313  -2.941
  146    HD2  PHE  17           1HD      PHE  17  13.245   3.645  -2.852
  147    HE1  PHE  17           2HE      PHE  17   8.653   1.968  -3.677
  148    HE2  PHE  17           1HE      PHE  17  12.894   1.301  -3.585
  149    HZ   PHE  17           HZ       PHE  17  10.597   0.467  -4.003
  150    HN1  NH2  18           2H       PHE  17   7.919   7.120  -0.706
  151    HN2  NH2  18           1H       PHE  17   9.457   7.827  -0.825
  Start of MODEL   20
    1    H1   MET   1           1HT      MET   1 -12.957  -3.560   1.375
    2    H2   MET   1           2HT      MET   1 -11.447  -3.355   0.624
    3    H3   MET   1           3HT      MET   1 -12.737  -4.053  -0.233
    4    HA   MET   1           HA       MET   1 -12.281  -1.676  -0.822
    5    HB2  MET   1           2HB      MET   1 -14.730  -1.201  -0.781
    6    HB3  MET   1           1HB      MET   1 -14.386  -2.860  -1.268
    7    HG2  MET   1           2HG      MET   1 -14.998  -3.726   0.861
    8    HG3  MET   1           1HG      MET   1 -14.959  -2.130   1.609
    9    HE1  MET   1           3HE      MET   1 -17.786  -1.767   2.459
   10    HE2  MET   1           1HE      MET   1 -18.009  -0.505   1.239
   11    HE3  MET   1           2HE      MET   1 -16.420  -0.777   1.949
   12    H    ALA   2           H        ALA   2 -11.370  -2.012   2.058
   13    HA   ALA   2           HA       ALA   2 -12.157   0.716   2.967
   14    HB1  ALA   2           1HB      ALA   2 -12.596  -0.228   5.232
   15    HB2  ALA   2           2HB      ALA   2 -12.329  -1.847   4.584
   16    HB3  ALA   2           3HB      ALA   2 -13.695  -0.885   4.018
   17    H    THR   3           H        THR   3  -9.664  -0.812   1.935
   18    HA   THR   3           HA       THR   3  -7.736   0.487   3.672
   19    HB   THR   3           HB       THR   3  -8.392  -1.401   5.103
   20    HG1  THR   3           1HG      THR   3  -5.893  -1.918   3.875
   21   HG21  THR   3          3HG2      THR   3  -8.346  -2.806   2.559
   22   HG22  THR   3          1HG2      THR   3  -9.083  -3.288   4.087
   23   HG23  THR   3          2HG2      THR   3  -7.387  -3.652   3.774
   24    H    LEU   4           H        LEU   4  -8.172   0.547   0.891
   25    HA   LEU   4           HA       LEU   4  -6.342  -1.262  -0.474
   26    HB2  LEU   4           2HB      LEU   4  -8.132   1.051  -1.120
   27    HB3  LEU   4           1HB      LEU   4  -6.889   0.620  -2.292
   28    HG   LEU   4           HG       LEU   4  -9.158  -0.505  -2.617
   29   HD11  LEU   4          1HD1      LEU   4  -6.657  -1.366  -3.185
   30   HD12  LEU   4          2HD1      LEU   4  -8.108  -2.270  -3.619
   31   HD13  LEU   4          3HD1      LEU   4  -7.207  -2.694  -2.163
   32   HD21  LEU   4          3HD2      LEU   4  -9.745  -2.343  -1.164
   33   HD22  LEU   4          1HD2      LEU   4  -9.478  -0.932  -0.139
   34   HD23  LEU   4          2HD2      LEU   4  -8.238  -2.180  -0.262
   35    H    GLU   5           H        GLU   5  -6.331   2.300   0.061
   36    HA   GLU   5           HA       GLU   5  -3.702   2.755  -0.899
   37    HB2  GLU   5           2HB      GLU   5  -5.694   4.082   0.861
   38    HB3  GLU   5           1HB      GLU   5  -4.030   4.638   1.041
   39    HG2  GLU   5           2HG      GLU   5  -4.042   4.736  -1.570
   40    HG3  GLU   5           1HG      GLU   5  -5.798   4.736  -1.391
   41    H    LYS   6           H        LYS   6  -4.870   1.685   2.250
   42    HA   LYS   6           HA       LYS   6  -2.363   1.857   3.644
   43    HB2  LYS   6           2HB      LYS   6  -5.068   0.983   4.060
   44    HB3  LYS   6           1HB      LYS   6  -3.984  -0.299   4.599
   45    HG2  LYS   6           2HG      LYS   6  -2.686   1.747   5.703
   46    HG3  LYS   6           1HG      LYS   6  -4.284   2.491   5.635
   47    HD2  LYS   6           2HD      LYS   6  -5.082   0.205   6.660
   48    HD3  LYS   6           1HD      LYS   6  -3.394   0.057   7.152
   49    HE2  LYS   6           2HE      LYS   6  -4.040   1.284   8.971
   50    HE3  LYS   6           1HE      LYS   6  -3.981   2.667   7.861
   51    HZ1  LYS   6           3HZ      LYS   6  -6.258   2.330   7.282
   52    HZ2  LYS   6           1HZ      LYS   6  -6.167   2.385   8.976
   53    HZ3  LYS   6           2HZ      LYS   6  -6.341   0.892   8.183
   54    H    LEU   7           H        LEU   7  -3.472  -0.161   1.108
   55    HA   LEU   7           HA       LEU   7  -1.555  -2.313   1.790
   56    HB2  LEU   7           2HB      LEU   7  -3.150  -3.686   0.914
   57    HB3  LEU   7           1HB      LEU   7  -4.211  -2.286   1.014
   58    HG   LEU   7           HG       LEU   7  -3.262  -1.670  -1.322
   59   HD11  LEU   7          1HD1      LEU   7  -1.636  -3.825  -0.860
   60   HD12  LEU   7          2HD1      LEU   7  -2.015  -3.198  -2.463
   61   HD13  LEU   7          3HD1      LEU   7  -2.921  -4.565  -1.814
   62   HD21  LEU   7          3HD2      LEU   7  -4.837  -4.131  -1.680
   63   HD22  LEU   7          1HD2      LEU   7  -5.232  -2.470  -2.120
   64   HD23  LEU   7          2HD2      LEU   7  -5.506  -3.033  -0.471
   65    H    MET   8           H        MET   8  -2.218   0.250  -0.492
   66    HA   MET   8           HA       MET   8  -0.365  -0.701  -2.533
   67    HB2  MET   8           2HB      MET   8  -2.532   0.846  -2.581
   68    HB3  MET   8           1HB      MET   8  -1.340   2.119  -2.322
   69    HG2  MET   8           2HG      MET   8  -0.059   0.887  -4.279
   70    HG3  MET   8           1HG      MET   8  -1.669   0.285  -4.669
   71    HE1  MET   8           3HE      MET   8  -3.817   3.349  -5.052
   72    HE2  MET   8           1HE      MET   8  -3.644   1.758  -4.298
   73    HE3  MET   8           2HE      MET   8  -3.525   1.925  -6.048
   74    H    LYS   9           H        LYS   9  -0.390   2.094  -0.282
   75    HA   LYS   9           HA       LYS   9   2.166   3.119  -0.827
   76    HB2  LYS   9           2HB      LYS   9   0.705   2.881   1.825
   77    HB3  LYS   9           1HB      LYS   9   1.964   4.048   1.450
   78    HG2  LYS   9           2HG      LYS   9  -0.826   3.891   0.313
   79    HG3  LYS   9           1HG      LYS   9  -0.065   5.241   1.146
   80    HD2  LYS   9           2HD      LYS   9   0.686   4.189  -1.599
   81    HD3  LYS   9           1HD      LYS   9  -0.167   5.693  -1.262
   82    HE2  LYS   9           2HE      LYS   9   1.755   6.683  -0.246
   83    HE3  LYS   9           1HE      LYS   9   2.589   5.119  -0.131
   84    HZ1  LYS   9           3HZ      LYS   9   2.713   4.967  -2.480
   85    HZ2  LYS   9           1HZ      LYS   9   3.261   6.521  -2.079
   86    HZ3  LYS   9           2HZ      LYS   9   1.694   6.308  -2.700
   87    H    ALA  10           H        ALA  10   1.289   0.192   0.879
   88    HA   ALA  10           HA       ALA  10   3.739  -0.177   2.338
   89    HB1  ALA  10           1HB      ALA  10   1.426  -1.281   2.600
   90    HB2  ALA  10           2HB      ALA  10   2.827  -2.341   2.765
   91    HB3  ALA  10           3HB      ALA  10   1.904  -2.326   1.262
   92    H    PHE  11           H        PHE  11   2.621  -1.245  -0.879
   93    HA   PHE  11           HA       PHE  11   4.964  -2.816  -1.481
   94    HB2  PHE  11           2HB      PHE  11   2.952  -1.446  -3.289
   95    HB3  PHE  11           1HB      PHE  11   3.981  -2.804  -3.730
   96    HD1  PHE  11           2HD      PHE  11   3.507  -3.891  -0.655
   97    HD2  PHE  11           1HD      PHE  11   1.037  -2.919  -4.037
   98    HE1  PHE  11           2HE      PHE  11   1.768  -5.453   0.163
   99    HE2  PHE  11           1HE      PHE  11  -0.698  -4.486  -3.216
  100    HZ   PHE  11           HZ       PHE  11  -0.333  -5.754  -1.118
  101    H    GLU  12           H        GLU  12   4.375   0.579  -1.426
  102    HA   GLU  12           HA       GLU  12   6.702   1.089  -3.241
  103    HB2  GLU  12           2HB      GLU  12   4.103   2.294  -2.717
  104    HB3  GLU  12           1HB      GLU  12   5.394   3.485  -2.582
  105    HG2  GLU  12           2HG      GLU  12   5.218   3.619  -4.842
  106    HG3  GLU  12           1HG      GLU  12   6.151   2.123  -4.838
  107    H    SER  13           H        SER  13   5.327   2.028  -0.081
  108    HA   SER  13           HA       SER  13   7.802   3.431   0.649
  109    HB2  SER  13           2HB      SER  13   5.167   3.845   1.132
  110    HB3  SER  13           1HB      SER  13   5.625   2.997   2.606
  111    HG   SER  13           HG       SER  13   6.094   5.078   3.027
  112    H    LEU  14           H        LEU  14   6.286   0.350   1.252
  113    HA   LEU  14           HA       LEU  14   8.057  -0.200   3.547
  114    HB2  LEU  14           2HB      LEU  14   5.473  -0.828   2.975
  115    HB3  LEU  14           1HB      LEU  14   6.289  -2.301   2.450
  116    HG   LEU  14           HG       LEU  14   7.556  -2.014   4.769
  117   HD11  LEU  14          1HD1      LEU  14   5.036  -1.175   5.942
  118   HD12  LEU  14          2HD1      LEU  14   5.684   0.082   4.888
  119   HD13  LEU  14          3HD1      LEU  14   6.658  -0.541   6.221
  120   HD21  LEU  14          3HD2      LEU  14   5.926  -3.545   5.755
  121   HD22  LEU  14          1HD2      LEU  14   6.111  -3.925   4.042
  122   HD23  LEU  14          2HD2      LEU  14   4.699  -3.027   4.600
  123    H    LYS  15           H        LYS  15   9.311   0.107   0.917
  124    HA   LYS  15           HA       LYS  15   9.890  -2.502  -0.212
  125    HB2  LYS  15           2HB      LYS  15  10.106   0.006  -1.085
  126    HB3  LYS  15           1HB      LYS  15  11.740  -0.163  -0.441
  127    HG2  LYS  15           2HG      LYS  15  12.234  -1.994  -1.878
  128    HG3  LYS  15           1HG      LYS  15  10.534  -2.224  -2.294
  129    HD2  LYS  15           2HD      LYS  15  10.730   0.263  -3.166
  130    HD3  LYS  15           1HD      LYS  15  12.450  -0.123  -3.247
  131    HE2  LYS  15           2HE      LYS  15  10.730  -2.240  -4.365
  132    HE3  LYS  15           1HE      LYS  15  10.641  -0.700  -5.244
  133    HZ1  LYS  15           3HZ      LYS  15  13.064  -2.269  -4.568
  134    HZ2  LYS  15           1HZ      LYS  15  13.138  -0.647  -5.059
  135    HZ3  LYS  15           2HZ      LYS  15  12.509  -1.824  -6.110
  136    H    SER  16           H        SER  16  11.530  -0.353   2.064
  137    HA   SER  16           HA       SER  16  12.734  -2.325   3.674
  138    HB2  SER  16           2HB      SER  16  14.007  -1.861   1.072
  139    HB3  SER  16           1HB      SER  16  15.123  -1.635   2.416
  140    HG   SER  16           HG       SER  16  14.084  -3.910   1.400
  141    H    PHE  17           H        PHE  17  13.022   0.780   2.116
  142    HA   PHE  17           HA       PHE  17  14.669   2.004   4.179
  143    HB2  PHE  17           2HB      PHE  17  13.767   4.115   2.874
  144    HB3  PHE  17           1HB      PHE  17  14.901   3.021   2.087
  145    HD1  PHE  17           2HD      PHE  17  11.182   3.292   2.641
  146    HD2  PHE  17           1HD      PHE  17  14.381   2.345  -0.066
  147    HE1  PHE  17           2HE      PHE  17   9.537   2.837   0.845
  148    HE2  PHE  17           1HE      PHE  17  12.732   1.890  -1.858
  149    HZ   PHE  17           HZ       PHE  17  10.309   2.139  -1.403
  150    HN1  NH2  18           2H       PHE  17  12.224   3.771   6.136
  151    HN2  NH2  18           1H       PHE  17  13.831   3.818   5.591