*HEADER    VIRAL PROTEIN                           26-JUL-12   2RSW              
*TITLE     NMR STRUCTURE, LOCALIZATION AND VESICLE FUSION OF CHIKUNGUNYA VIRUS   
*TITLE    2 FUSION PEPTIDE                                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PEPTIDE FROM E1 ENVELOPE GLYCOPROTEIN;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CHIKUNGUNYA VIRUS;                              
*SOURCE   4 ORGANISM_COMMON: CHIKV;                                              
*SOURCE   5 ORGANISM_TAXID: 371094                                               
*KEYWDS    DPC, VIRAL PROTEIN                                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    H.MOHANRAM, S.BHATTACHARJYA                                           
*REVDAT   1   12-SEP-12 2RSW    0                                                


 1 VAL QQG  2 TYR H 3.0 2.0
 1 VAL QQG  4 PHE QE 4.0 2.0
 2 TYR H         3 PRO QD       3.5     2.0
 2 TYR HA  2 TYR H 3.0 2.0
 2 TYR HB3  4 PHE H 5.0 2.0
 2 TYR HD1  4 PHE HB2 4.0 2.0
 2 TYR HD1       6 TRP HB2      4.5     2.0
 2 TYR QD        2 TYR QB       3.5     2.0
 2 TYR HD1  4 PHE HD2 3.5 2.0
 2 TYR HD2  4 PHE HD2 3.5 2.0
 2 TYR HE1  4 PHE HB2 5.0 2.0
 2 TYR HD1       6 TRP HA       5.0     2.0
 2 TYR HD1       6 TRP HB2      3.5     2.0
 3 PRO HA        4 PHE H        3.0     2.0
 3 PRO QB        4 PHE H        3.5     2.0
 4 PHE HA  4 PHE H 3.0 2.0
 4 PHE HA  5 MET H 3.0 2.0
 4 PHE H         5 MET H        3.5     2.0
 4 PHE HB  5 MET H 4.0 2.0
 4 PHE HD2  6 TRP HD1 5.0 2.0
 4 PHE H         6 TRP HB2      5.0     2.0
 4 PHE HD1       12 PHE HB3     4.8     2.0
 4 PHE HD1       12 PHE HD1     4.8     2.0
 4 PHE HD1       12 PHE HE1     4.5     2.0
 4 PHE H         10 TYR HE1     4.0     2.0
 4 PHE HD1       10 TYR HA      5.0     2.0
 4 PHE QE        10 TYR QD      5.0     2.0
 5 MET H  6 TRP H 3.5 2.0
 5 MET HA  5 MET H 3.0 2.0
 5 MET HB2  6 TRP H 3.0 2.0
 5 MET HB3  6 TRP H 3.0 2.0
 6 TRP HA  7 GLY H 3.5 2.0
 6 TRP H         7 GLY H        3.0     2.0
 6 TRP H         8 GLY H        4.2     2.0
 6 TRP HA        8 GLY H        4.5     2.0
 6 TRP HB2  4 PHE H 6.0 2.0
 6 TRP HB2  4 PHE QD 6.0 2.0
 6 TRP HB2  7 GLY H 3.0 2.0
 6 TRP HB3  7 GLY H 3.0 2.0
 7 GLY H  6 TRP HE3 4.0 2.0
 7 GLY H  8 GLY H 3.0 2.0
 7 GLY HA  7 GLY H 3.0 2.0
 8 GLY H  9 ALA H 4.0 2.0
 8 GLY HA  8 GLY H 3.0 2.0
 8 GLY HA  9 ALA H 3.0 2.0
 9 ALA HA  9 ALA H 3.0 2.0
 9 ALA HA 10 TYR H 3.0 2.0
 9 ALA HA 10 TYR HD1 4.5 2.0
 9 ALA HA 11 CYS H 4.5 2.0
 9 ALA HB 10 TYR H 3.8 2.0
 9 ALA HB 10 TYR HD1 4.0 2.0
 9 ALA HB 10 TYR QE 5.0 2.0
 9 ALA HB 12 PHE QD 5.0 2.0
 9 ALA HB 13 CYS H 3.0 2.0
10 TYR H 11 CYS H 3.5 2.0
10 TYR HA 10 TYR H 3.0 2.0
10 TYR HA 11 CYS H 3.0 2.0
10 TYR HB2 11 CYS H 4.0 2.0
10 TYR HB3 11 CYS H 4.8 2.0
10 TYR HD1 12 PHE QD 5.0 2.0
10 TYR HD1 12 PHE QE 5.0 2.0
11 CYS HA 11 CYS H 3.0 2.0
11 CYS HA 12 PHE H 3.5 2.0
11 CYS HB 10 TYR H 4.0 2.0
11 CYS HB 10 TYR HD1 4.5 2.0
11 CYS HB 12 PHE H 4.5 2.0
11 CYS HB 12 PHE QE 4.0 2.0
12 PHE H 11 CYS H 3.5 2.0
12 PHE HA 12 PHE H 3.0 2.0
12 PHE HA 13 CYS H 3.8 2.0
12 PHE HB2 13 CYS H 4.0 2.0
12 PHE HB3 13 CYS H 4.0 2.0
13 CYS HA 13 CYS H 3.0 2.0
13 CYS HA 14 ASP H 3.0 2.0
13 CYS HB 12 PHE QE 3.0 2.0
13 CYS HB 14 ASP H 3.0 2.0
14 ASP H 13 CYS H 3.0 2.0
14 ASP H 15 ALA H 3.0 2.0
14 ASP HA 14 ASP H 3.0 2.0
14 ASP HA 15 ALA H 3.5 2.0
14 ASP HB2 15 ALA H 3.0 2.0
14 ASP HB3 15 ALA H 3.0 2.0
15 ALA H 12 PHE QD 5.0 2.0
15 ALA HA 15 ALA H 3.0 2.0
15 ALA HB 13 CYS H 4.0 2.0
15 ALA HB 14 ASP H 3.0 2.0
15 ALA HB 16 GLU H 4.0 2.0
16 GLU H 15 ALA H 3.0 2.0
16 GLU HA 16 GLU H 3.0 2.0
16 GLU HA 17 ASN H 3.0 2.0
16 GLU HB2 17 ASN H 3.8 2.0
16 GLU HB3 17 ASN H 3.0 2.0
17 ASN H 15 ALA H 4.0 2.0
17 ASN HA 17 ASN H 3.0 2.0
17 ASN H        15 ALA HB       5.0     2.0
11 CYS H        4  PHE HD1      5.0     2.0
4  PHE H        10 TYR HE1      5.0     2.0
10 TYR HA       4  PHE HD1      5.0     2.0 
9  ALA QB       12 PHE HE1      5.0     2.0
5  MET HB2      12 PHE HZ       5.0     2.0
2  TYR HE1      12 PHE HZ       4.0     2.0
4  PHE HD1       9 ALA QB       4.5     2.0
18 THR HA       18 THR H        4.5     2.0
17 ASN HA       18 THR H        4.5    2.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           H        VAL   1   1.807   0.001   0.856
    2    HA   VAL   1           HA       VAL   1   2.983   0.592  -1.087
    3    HB   VAL   1           HB       VAL   1   3.108  -1.840  -0.821
    4   HG11  VAL   1          1HG1      VAL   1   0.561  -2.084  -1.103
    5   HG12  VAL   1          2HG1      VAL   1   0.907  -2.142  -2.832
    6   HG13  VAL   1          3HG1      VAL   1   1.600  -3.352  -1.752
    7   HG21  VAL   1          3HG2      VAL   1   3.794  -2.384  -3.066
    8   HG22  VAL   1          1HG2      VAL   1   2.809  -1.077  -3.722
    9   HG23  VAL   1          2HG2      VAL   1   4.217  -0.705  -2.728
   10    H    TYR   2           H        TYR   2  -0.408   0.368  -1.352
   11    HA   TYR   2           HA       TYR   2  -0.300   1.561  -4.045
   12    HB2  TYR   2           2HB      TYR   2  -1.417  -0.780  -3.680
   13    HB3  TYR   2           3HB      TYR   2  -2.750   0.166  -3.028
   14    HD1  TYR   2           HD2      TYR   2  -0.821  -0.629  -6.048
   15    HD2  TYR   2           HD1      TYR   2  -4.122   1.538  -4.464
   16    HE1  TYR   2           HE2      TYR   2  -1.650  -0.236  -8.330
   17    HE2  TYR   2           HE1      TYR   2  -4.961   1.936  -6.742
   18    HH   TYR   2           HH       TYR   2  -3.300   0.586  -9.573
   19    HA   PRO   3           HA       PRO   3  -2.134   4.555  -0.939
   20    HB2  PRO   3           2HB      PRO   3  -0.444   6.603  -1.506
   21    HB3  PRO   3           3HB      PRO   3  -0.086   5.371  -0.290
   22    HG2  PRO   3           2HG      PRO   3   0.874   5.577  -3.118
   23    HG3  PRO   3           3HG      PRO   3   1.782   5.146  -1.656
   24    HD2  PRO   3           2HD      PRO   3   0.881   3.291  -3.411
   25    HD3  PRO   3           3HD      PRO   3   1.017   2.972  -1.669
   26    H    PHE   4           H        PHE   4  -1.963   4.081  -4.187
   27    HA   PHE   4           HA       PHE   4  -2.724   6.595  -5.239
   28    HB2  PHE   4           2HB      PHE   4  -3.387   3.877  -6.383
   29    HB3  PHE   4           3HB      PHE   4  -3.282   5.402  -7.256
   30    HD1  PHE   4           HD2      PHE   4  -1.335   2.811  -5.508
   31    HD2  PHE   4           HD1      PHE   4  -1.203   6.250  -8.012
   32    HE1  PHE   4           HE2      PHE   4   1.038   2.369  -5.983
   33    HE2  PHE   4           HE1      PHE   4   1.170   5.813  -8.492
   34    HZ   PHE   4           HZ       PHE   4   2.294   3.872  -7.476
   35    H    MET   5           H        MET   5  -4.989   4.330  -6.263
   36    HA   MET   5           HA       MET   5  -7.243   5.758  -5.842
   37    HB2  MET   5           2HB      MET   5  -6.638   2.977  -6.349
   38    HB3  MET   5           3HB      MET   5  -8.068   3.126  -5.337
   39    HG2  MET   5           2HG      MET   5  -9.246   4.303  -6.956
   40    HG3  MET   5           3HG      MET   5  -7.783   4.745  -7.834
   41    HE1  MET   5           3HE      MET   5  -9.503   1.754  -6.353
   42    HE2  MET   5           1HE      MET   5  -9.651   0.577  -7.658
   43    HE3  MET   5           2HE      MET   5  -8.114   0.768  -6.814
   44    H    TRP   6           H        TRP   6  -5.606   3.733  -3.479
   45    HA   TRP   6           HA       TRP   6  -7.392   3.417  -1.479
   46    HB2  TRP   6           2HB      TRP   6  -4.521   3.636  -1.646
   47    HB3  TRP   6           3HB      TRP   6  -5.099   4.367  -0.151
   48    HD1  TRP   6           HD1      TRP   6  -4.476   1.038  -1.774
   49    HE1  TRP   6           HE1      TRP   6  -5.093  -0.851  -0.138
   50    HE3  TRP   6           HE3      TRP   6  -6.870   3.805   1.796
   51    HZ2  TRP   6           HZ2      TRP   6  -6.420  -1.131   2.338
   52    HZ3  TRP   6           HZ3      TRP   6  -7.785   2.650   3.767
   53    HH2  TRP   6           HH2      TRP   6  -7.564   0.233   4.030
   54    H    GLY   7           H        GLY   7  -5.178   6.199  -1.282
   55    HA2  GLY   7           2HA      GLY   7  -7.291   7.681   0.111
   56    HA3  GLY   7           3HA      GLY   7  -5.579   8.080   0.110
   57    H    GLY   8           H        GLY   8  -6.173   7.382  -3.000
   58    HA2  GLY   8           2HA      GLY   8  -7.604   8.985  -4.431
   59    HA3  GLY   8           3HA      GLY   8  -6.635  10.217  -3.637
   60    H    ALA   9           H        ALA   9  -6.685   7.700  -6.027
   61    HA   ALA   9           HA       ALA   9  -4.038   7.387  -6.684
   62    HB1  ALA   9           1HB      ALA   9  -6.414   7.542  -8.532
   63    HB2  ALA   9           2HB      ALA   9  -4.817   6.958  -9.003
   64    HB3  ALA   9           3HB      ALA   9  -5.744   6.097  -7.774
   65    H    TYR  10           H        TYR  10  -2.475   8.620  -7.525
   66    HA   TYR  10           HA       TYR  10  -3.212  11.132  -8.857
   67    HB2  TYR  10           2HB      TYR  10  -0.874  11.782  -7.558
   68    HB3  TYR  10           3HB      TYR  10  -2.491  12.248  -7.043
   69    HD1  TYR  10           HD1      TYR  10  -0.908   8.886  -6.890
   70    HD2  TYR  10           HD2      TYR  10  -2.332  12.250  -4.708
   71    HE1  TYR  10           HE1      TYR  10  -0.588   7.650  -4.787
   72    HE2  TYR  10           HE2      TYR  10  -2.015  11.024  -2.600
   73    HH   TYR  10           HH       TYR  10  -0.743   9.165  -1.724
   74    H    CYS  11           H        CYS  11  -2.126   8.375  -9.597
   75    HA   CYS  11           HA       CYS  11   0.130   9.372 -11.201
   76    HB2  CYS  11           2HB      CYS  11  -0.073   6.815  -9.631
   77    HB3  CYS  11           3HB      CYS  11   0.988   6.934 -11.030
   78    HG   CYS  11           HG       CYS  11   1.663   9.537  -9.257
   79    H    PHE  12           H        PHE  12  -0.860   6.067 -11.354
   80    HA   PHE  12           HA       PHE  12  -1.254   5.979 -14.073
   81    HB2  PHE  12           2HB      PHE  12  -2.295   3.847 -13.758
   82    HB3  PHE  12           3HB      PHE  12  -1.067   4.015 -12.508
   83    HD1  PHE  12           HD1      PHE  12  -2.427   5.690 -10.533
   84    HD2  PHE  12           HD2      PHE  12  -3.903   2.448 -12.862
   85    HE1  PHE  12           HE1      PHE  12  -4.119   5.226  -8.808
   86    HE2  PHE  12           HE2      PHE  12  -5.598   1.979 -11.142
   87    HZ   PHE  12           HZ       PHE  12  -5.709   3.369  -9.112
   88    H    CYS  13           H        CYS  13  -3.290   7.357 -11.711
   89    HA   CYS  13           HA       CYS  13  -5.575   7.389 -13.557
   90    HB2  CYS  13           2HB      CYS  13  -5.338   7.729 -10.582
   91    HB3  CYS  13           3HB      CYS  13  -6.750   8.334 -11.441
   92    HG   CYS  13           HG       CYS  13  -7.595   5.966 -10.408
   93    H    ASP  14           H        ASP  14  -3.064   9.305 -12.310
   94    HA   ASP  14           HA       ASP  14  -4.374  11.733 -13.344
   95    HB2  ASP  14           2HB      ASP  14  -3.132  11.239 -10.759
   96    HB3  ASP  14           3HB      ASP  14  -2.404  12.613 -11.588
   97    H    ALA  15           H        ALA  15  -1.188  10.320 -12.600
   98    HA   ALA  15           HA       ALA  15   0.520  11.923 -13.923
   99    HB1  ALA  15           1HB      ALA  15   0.499   9.154 -13.181
  100    HB2  ALA  15           2HB      ALA  15   1.317   9.357 -14.731
  101    HB3  ALA  15           3HB      ALA  15   1.863  10.263 -13.320
  102    H    GLU  16           H        GLU  16  -1.553   9.486 -15.451
  103    HA   GLU  16           HA       GLU  16  -0.793  10.559 -18.081
  104    HB2  GLU  16           2HB      GLU  16  -0.680   8.011 -17.393
  105    HB3  GLU  16           3HB      GLU  16  -2.396   8.057 -17.774
  106    HG2  GLU  16           2HG      GLU  16  -2.042   8.240 -19.987
  107    HG3  GLU  16           3HG      GLU  16  -0.611   9.249 -19.786
  108    H    ASN  17           H        ASN  17  -3.381  10.252 -15.831
  109    HA   ASN  17           HA       ASN  17  -5.245  11.378 -17.818
  110    HB2  ASN  17           2HB      ASN  17  -5.638   9.370 -15.644
  111    HB3  ASN  17           3HB      ASN  17  -6.968  10.465 -16.014
  112   HD21  ASN  17          1HD2      ASN  17  -8.230  10.036 -17.704
  113   HD22  ASN  17          2HD2      ASN  17  -7.946   8.789 -18.865
  114    H    THR  18           H        THR  18  -3.939  13.345 -16.985
  115    HA   THR  18           HA       THR  18  -4.359  14.387 -14.417
  116    HB   THR  18           HB       THR  18  -2.641  15.310 -15.857
  117    HG1  THR  18           HG1      THR  18  -2.933  17.325 -15.146
  118   HG21  THR  18          3HG2      THR  18  -3.279  15.323 -18.043
  119   HG22  THR  18          1HG2      THR  18  -3.670  16.998 -17.654
  120   HG23  THR  18          2HG2      THR  18  -4.942  15.776 -17.669
  Start of MODEL    2
    1    H1   VAL   1           H        VAL   1   1.273   0.879   0.508
    2    HA   VAL   1           HA       VAL   1   3.053   0.743  -1.050
    3    HB   VAL   1           HB       VAL   1   3.246  -1.704  -0.795
    4   HG11  VAL   1          1HG1      VAL   1   0.817  -2.168  -1.150
    5   HG12  VAL   1          2HG1      VAL   1   1.074  -1.896  -2.875
    6   HG13  VAL   1          3HG1      VAL   1   1.900  -3.223  -2.057
    7   HG21  VAL   1          3HG2      VAL   1   4.101  -2.158  -3.001
    8   HG22  VAL   1          1HG2      VAL   1   3.114  -0.868  -3.689
    9   HG23  VAL   1          2HG2      VAL   1   4.438  -0.476  -2.591
   10    H    TYR   2           H        TYR   2  -0.313   0.407  -1.381
   11    HA   TYR   2           HA       TYR   2  -0.200   1.606  -4.071
   12    HB2  TYR   2           2HB      TYR   2  -1.253  -0.768  -3.725
   13    HB3  TYR   2           3HB      TYR   2  -2.622   0.137  -3.091
   14    HD1  TYR   2           HD2      TYR   2  -0.627  -0.594  -6.084
   15    HD2  TYR   2           HD1      TYR   2  -4.016   1.469  -4.545
   16    HE1  TYR   2           HE2      TYR   2  -1.435  -0.222  -8.377
   17    HE2  TYR   2           HE1      TYR   2  -4.833   1.845  -6.834
   18    HH   TYR   2           HH       TYR   2  -3.681   0.203  -9.490
   19    HA   PRO   3           HA       PRO   3  -2.168   4.540  -0.989
   20    HB2  PRO   3           2HB      PRO   3  -0.531   6.637  -1.529
   21    HB3  PRO   3           3HB      PRO   3  -0.155   5.414  -0.309
   22    HG2  PRO   3           2HG      PRO   3   0.841   5.653  -3.122
   23    HG3  PRO   3           3HG      PRO   3   1.739   5.247  -1.648
   24    HD2  PRO   3           2HD      PRO   3   0.919   3.369  -3.417
   25    HD3  PRO   3           3HD      PRO   3   1.039   3.051  -1.674
   26    H    PHE   4           H        PHE   4  -1.935   4.075  -4.235
   27    HA   PHE   4           HA       PHE   4  -2.755   6.568  -5.295
   28    HB2  PHE   4           2HB      PHE   4  -3.316   3.832  -6.452
   29    HB3  PHE   4           3HB      PHE   4  -3.247   5.361  -7.322
   30    HD1  PHE   4           HD2      PHE   4  -1.245   2.830  -5.549
   31    HD2  PHE   4           HD1      PHE   4  -1.186   6.274  -8.048
   32    HE1  PHE   4           HE2      PHE   4   1.147   2.464  -5.990
   33    HE2  PHE   4           HE1      PHE   4   1.207   5.913  -8.495
   34    HZ   PHE   4           HZ       PHE   4   2.377   4.006  -7.464
   35    H    MET   5           H        MET   5  -4.934   4.236  -6.355
   36    HA   MET   5           HA       MET   5  -7.236   5.596  -5.968
   37    HB2  MET   5           2HB      MET   5  -6.541   2.834  -6.467
   38    HB3  MET   5           3HB      MET   5  -7.990   2.940  -5.476
   39    HG2  MET   5           2HG      MET   5  -8.219   4.837  -7.570
   40    HG3  MET   5           3HG      MET   5  -7.720   3.300  -8.271
   41    HE1  MET   5           3HE      MET   5 -11.352   4.468  -5.947
   42    HE2  MET   5           1HE      MET   5 -10.543   3.217  -5.003
   43    HE3  MET   5           2HE      MET   5  -9.667   4.675  -5.466
   44    H    TRP   6           H        TRP   6  -5.575   3.620  -3.581
   45    HA   TRP   6           HA       TRP   6  -7.383   3.250  -1.609
   46    HB2  TRP   6           2HB      TRP   6  -4.516   3.552  -1.732
   47    HB3  TRP   6           3HB      TRP   6  -5.139   4.258  -0.243
   48    HD1  TRP   6           HD1      TRP   6  -4.397   0.956  -1.873
   49    HE1  TRP   6           HE1      TRP   6  -4.983  -0.958  -0.255
   50    HE3  TRP   6           HE3      TRP   6  -6.918   3.636   1.676
   51    HZ2  TRP   6           HZ2      TRP   6  -6.336  -1.289   2.200
   52    HZ3  TRP   6           HZ3      TRP   6  -7.828   2.445   3.628
   53    HH2  TRP   6           HH2      TRP   6  -7.542   0.034   3.882
   54    H    GLY   7           H        GLY   7  -5.246   6.089  -1.367
   55    HA2  GLY   7           2HA      GLY   7  -7.417   7.511  -0.005
   56    HA3  GLY   7           3HA      GLY   7  -5.717   7.958   0.013
   57    H    GLY   8           H        GLY   8  -6.257   7.245  -3.103
   58    HA2  GLY   8           2HA      GLY   8  -7.715   8.806  -4.552
   59    HA3  GLY   8           3HA      GLY   8  -6.796  10.067  -3.743
   60    H    ALA   9           H        ALA   9  -6.735   7.552  -6.136
   61    HA   ALA   9           HA       ALA   9  -4.071   7.322  -6.758
   62    HB1  ALA   9           1HB      ALA   9  -6.425   7.409  -8.638
   63    HB2  ALA   9           2HB      ALA   9  -4.805   6.874  -9.087
   64    HB3  ALA   9           3HB      ALA   9  -5.723   5.983  -7.873
   65    H    TYR  10           H        TYR  10  -2.535   8.603  -7.576
   66    HA   TYR  10           HA       TYR  10  -3.330  11.095  -8.913
   67    HB2  TYR  10           2HB      TYR  10  -1.030  11.813  -7.580
   68    HB3  TYR  10           3HB      TYR  10  -2.668  12.229  -7.087
   69    HD1  TYR  10           HD1      TYR  10  -0.986   8.916  -6.917
   70    HD2  TYR  10           HD2      TYR  10  -2.542  12.231  -4.751
   71    HE1  TYR  10           HE1      TYR  10  -0.659   7.686  -4.812
   72    HE2  TYR  10           HE2      TYR  10  -2.219  11.011  -2.640
   73    HH   TYR  10           HH       TYR  10  -1.530   9.135  -1.685
   74    H    CYS  11           H        CYS  11  -2.150   8.373  -9.643
   75    HA   CYS  11           HA       CYS  11   0.097   9.442 -11.213
   76    HB2  CYS  11           2HB      CYS  11  -0.050   6.878  -9.650
   77    HB3  CYS  11           3HB      CYS  11   1.026   7.031 -11.034
   78    HG   CYS  11           HG       CYS  11   1.880   9.608  -9.552
   79    H    PHE  12           H        PHE  12  -0.789   6.109 -11.385
   80    HA   PHE  12           HA       PHE  12  -1.144   6.015 -14.109
   81    HB2  PHE  12           2HB      PHE  12  -2.123   3.850 -13.812
   82    HB3  PHE  12           3HB      PHE  12  -0.918   4.054 -12.545
   83    HD1  PHE  12           HD1      PHE  12  -2.356   5.683 -10.587
   84    HD2  PHE  12           HD2      PHE  12  -3.699   2.401 -12.941
   85    HE1  PHE  12           HE1      PHE  12  -4.057   5.164  -8.886
   86    HE2  PHE  12           HE2      PHE  12  -5.402   1.877 -11.245
   87    HZ   PHE  12           HZ       PHE  12  -5.584   3.259  -9.215
   88    H    CYS  13           H        CYS  13  -3.253   7.325 -11.774
   89    HA   CYS  13           HA       CYS  13  -5.513   7.290 -13.651
   90    HB2  CYS  13           2HB      CYS  13  -5.327   7.632 -10.672
   91    HB3  CYS  13           3HB      CYS  13  -6.744   8.195 -11.549
   92    HG   CYS  13           HG       CYS  13  -7.810   5.904 -10.913
   93    H    ASP  14           H        ASP  14  -3.079   9.280 -12.366
   94    HA   ASP  14           HA       ASP  14  -4.449  11.668 -13.416
   95    HB2  ASP  14           2HB      ASP  14  -3.221  11.209 -10.816
   96    HB3  ASP  14           3HB      ASP  14  -2.535  12.611 -11.633
   97    H    ALA  15           H        ALA  15  -1.231  10.352 -12.629
   98    HA   ALA  15           HA       ALA  15   0.445  12.010 -13.927
   99    HB1  ALA  15           1HB      ALA  15   0.499   9.240 -13.188
  100    HB2  ALA  15           2HB      ALA  15   1.335   9.473 -14.724
  101    HB3  ALA  15           3HB      ALA  15   1.829  10.393 -13.302
  102    H    GLU  16           H        GLU  16  -1.514   9.496 -15.487
  103    HA   GLU  16           HA       GLU  16  -0.744  10.583 -18.107
  104    HB2  GLU  16           2HB      GLU  16  -0.608   8.040 -17.405
  105    HB3  GLU  16           3HB      GLU  16  -2.318   8.062 -17.812
  106    HG2  GLU  16           2HG      GLU  16  -0.673   9.322 -19.845
  107    HG3  GLU  16           3HG      GLU  16  -0.231   7.641 -19.552
  108    H    ASN  17           H        ASN  17  -3.364  10.254 -15.897
  109    HA   ASN  17           HA       ASN  17  -5.199  11.375 -17.912
  110    HB2  ASN  17           2HB      ASN  17  -5.630   9.324 -15.782
  111    HB3  ASN  17           3HB      ASN  17  -6.965  10.393 -16.203
  112   HD21  ASN  17          1HD2      ASN  17  -7.648   8.015 -16.677
  113   HD22  ASN  17          2HD2      ASN  17  -7.474   7.534 -18.327
  114    H    THR  18           H        THR  18  -3.916  13.326 -16.971
  115    HA   THR  18           HA       THR  18  -4.460  14.295 -14.396
  116    HB   THR  18           HB       THR  18  -4.126  16.602 -15.735
  117    HG1  THR  18           HG1      THR  18  -3.955  15.979 -17.793
  118   HG21  THR  18          3HG2      THR  18  -1.567  15.313 -15.679
  119   HG22  THR  18          1HG2      THR  18  -2.508  14.813 -14.275
  120   HG23  THR  18          2HG2      THR  18  -2.222  16.527 -14.580
  Start of MODEL    3
    1    H1   VAL   1           H        VAL   1   0.719  -0.431   0.157
    2    HA   VAL   1           HA       VAL   1   3.126   0.735  -1.076
    3    HB   VAL   1           HB       VAL   1   3.272  -1.682  -0.766
    4   HG11  VAL   1          1HG1      VAL   1   1.763  -3.215  -1.863
    5   HG12  VAL   1          2HG1      VAL   1   0.841  -2.133  -0.817
    6   HG13  VAL   1          3HG1      VAL   1   0.857  -1.874  -2.562
    7   HG21  VAL   1          3HG2      VAL   1   3.866  -2.294  -3.027
    8   HG22  VAL   1          1HG2      VAL   1   2.872  -0.990  -3.674
    9   HG23  VAL   1          2HG2      VAL   1   4.318  -0.614  -2.737
   10    H    TYR   2           H        TYR   2  -0.274   0.464  -1.316
   11    HA   TYR   2           HA       TYR   2  -0.190   1.633  -4.021
   12    HB2  TYR   2           2HB      TYR   2  -1.265  -0.724  -3.634
   13    HB3  TYR   2           3HB      TYR   2  -2.613   0.203  -2.985
   14    HD1  TYR   2           HD2      TYR   2  -0.681  -0.586  -6.004
   15    HD2  TYR   2           HD1      TYR   2  -4.012   1.543  -4.430
   16    HE1  TYR   2           HE2      TYR   2  -1.524  -0.227  -8.287
   17    HE2  TYR   2           HE1      TYR   2  -4.864   1.907  -6.708
   18    HH   TYR   2           HH       TYR   2  -4.518   0.547  -9.040
   19    HA   PRO   3           HA       PRO   3  -2.074   4.623  -0.939
   20    HB2  PRO   3           2HB      PRO   3  -0.420   6.695  -1.527
   21    HB3  PRO   3           3HB      PRO   3  -0.040   5.480  -0.300
   22    HG2  PRO   3           2HG      PRO   3   0.915   5.677  -3.131
   23    HG3  PRO   3           3HG      PRO   3   1.831   5.276  -1.666
   24    HD2  PRO   3           2HD      PRO   3   0.961   3.389  -3.403
   25    HD3  PRO   3           3HD      PRO   3   1.104   3.088  -1.659
   26    H    PHE   4           H        PHE   4  -1.892   4.125  -4.185
   27    HA   PHE   4           HA       PHE   4  -2.699   6.615  -5.259
   28    HB2  PHE   4           2HB      PHE   4  -3.317   3.875  -6.376
   29    HB3  PHE   4           3HB      PHE   4  -3.239   5.393  -7.264
   30    HD1  PHE   4           HD2      PHE   4  -1.248   2.850  -5.495
   31    HD2  PHE   4           HD1      PHE   4  -1.175   6.268  -8.030
   32    HE1  PHE   4           HE2      PHE   4   1.131   2.443  -5.969
   33    HE2  PHE   4           HE1      PHE   4   1.205   5.866  -8.509
   34    HZ   PHE   4           HZ       PHE   4   2.361   3.952  -7.477
   35    H    MET   5           H        MET   5  -4.926   4.299  -6.256
   36    HA   MET   5           HA       MET   5  -7.204   5.695  -5.848
   37    HB2  MET   5           2HB      MET   5  -6.553   2.919  -6.327
   38    HB3  MET   5           3HB      MET   5  -7.983   3.055  -5.313
   39    HG2  MET   5           2HG      MET   5  -8.306   4.934  -7.367
   40    HG3  MET   5           3HG      MET   5  -7.704   3.465  -8.131
   41    HE1  MET   5           3HE      MET   5 -11.239   2.563  -9.012
   42    HE2  MET   5           1HE      MET   5 -10.461   4.129  -9.242
   43    HE3  MET   5           2HE      MET   5  -9.537   2.644  -9.469
   44    H    TRP   6           H        TRP   6  -5.530   3.724  -3.465
   45    HA   TRP   6           HA       TRP   6  -7.310   3.401  -1.460
   46    HB2  TRP   6           2HB      TRP   6  -4.442   3.662  -1.633
   47    HB3  TRP   6           3HB      TRP   6  -5.030   4.395  -0.143
   48    HD1  TRP   6           HD1      TRP   6  -4.361   1.064  -1.744
   49    HE1  TRP   6           HE1      TRP   6  -4.946  -0.822  -0.093
   50    HE3  TRP   6           HE3      TRP   6  -6.784   3.822   1.814
   51    HZ2  TRP   6           HZ2      TRP   6  -6.261  -1.104   2.389
   52    HZ3  TRP   6           HZ3      TRP   6  -7.677   2.668   3.795
   53    HH2  TRP   6           HH2      TRP   6  -7.420   0.256   4.075
   54    H    GLY   7           H        GLY   7  -5.133   6.214  -1.287
   55    HA2  GLY   7           2HA      GLY   7  -7.263   7.681   0.093
   56    HA3  GLY   7           3HA      GLY   7  -5.558   8.105   0.080
   57    H    GLY   8           H        GLY   8  -6.154   7.365  -3.019
   58    HA2  GLY   8           2HA      GLY   8  -7.614   8.928  -4.463
   59    HA3  GLY   8           3HA      GLY   8  -6.665  10.186  -3.684
   60    H    ALA   9           H        ALA   9  -6.677   7.644  -6.049
   61    HA   ALA   9           HA       ALA   9  -4.027   7.370  -6.709
   62    HB1  ALA   9           1HB      ALA   9  -5.712   6.042  -7.785
   63    HB2  ALA   9           2HB      ALA   9  -6.409   7.469  -8.552
   64    HB3  ALA   9           3HB      ALA   9  -4.805   6.910  -9.023
   65    H    TYR  10           H        TYR  10  -2.486   8.620  -7.564
   66    HA   TYR  10           HA       TYR  10  -3.265  11.108  -8.916
   67    HB2  TYR  10           2HB      TYR  10  -0.935  11.806  -7.624
   68    HB3  TYR  10           3HB      TYR  10  -2.559  12.253  -7.114
   69    HD1  TYR  10           HD1      TYR  10  -0.924   8.917  -6.928
   70    HD2  TYR  10           HD2      TYR  10  -2.404  12.279  -4.780
   71    HE1  TYR  10           HE1      TYR  10  -0.587   7.707  -4.813
   72    HE2  TYR  10           HE2      TYR  10  -2.070  11.079  -2.660
   73    HH   TYR  10           HH       TYR  10  -1.754   8.961  -1.774
   74    H    CYS  11           H        CYS  11  -2.134   8.362  -9.633
   75    HA   CYS  11           HA       CYS  11   0.103   9.382 -11.249
   76    HB2  CYS  11           2HB      CYS  11  -0.056   6.837  -9.656
   77    HB3  CYS  11           3HB      CYS  11   1.001   6.961 -11.057
   78    HG   CYS  11           HG       CYS  11   1.563   7.910  -7.989
   79    H    PHE  12           H        PHE  12  -0.834   6.060 -11.369
   80    HA   PHE  12           HA       PHE  12  -1.229   5.941 -14.087
   81    HB2  PHE  12           2HB      PHE  12  -2.236   3.795 -13.752
   82    HB3  PHE  12           3HB      PHE  12  -1.009   3.994 -12.504
   83    HD1  PHE  12           HD1      PHE  12  -2.394   5.666 -10.543
   84    HD2  PHE  12           HD2      PHE  12  -3.819   2.378 -12.840
   85    HE1  PHE  12           HE1      PHE  12  -4.077   5.191  -8.813
   86    HE2  PHE  12           HE2      PHE  12  -5.505   1.899 -11.114
   87    HZ   PHE  12           HZ       PHE  12  -5.636   3.306  -9.097
   88    H    CYS  13           H        CYS  13  -3.284   7.309 -11.736
   89    HA   CYS  13           HA       CYS  13  -5.572   7.287 -13.581
   90    HB2  CYS  13           2HB      CYS  13  -5.338   7.657 -10.608
   91    HB3  CYS  13           3HB      CYS  13  -6.760   8.231 -11.471
   92    HG   CYS  13           HG       CYS  13  -6.693   5.496 -10.122
   93    H    ASP  14           H        ASP  14  -3.090   9.253 -12.353
   94    HA   ASP  14           HA       ASP  14  -4.440  11.651 -13.408
   95    HB2  ASP  14           2HB      ASP  14  -3.189  11.200 -10.820
   96    HB3  ASP  14           3HB      ASP  14  -2.483  12.578 -11.661
   97    H    ALA  15           H        ALA  15  -1.232  10.295 -12.654
   98    HA   ALA  15           HA       ALA  15   0.449  11.915 -13.993
   99    HB1  ALA  15           1HB      ALA  15   1.819  10.284 -13.373
  100    HB2  ALA  15           2HB      ALA  15   0.475   9.151 -13.228
  101    HB3  ALA  15           3HB      ALA  15   1.291   9.357 -14.778
  102    H    GLU  16           H        GLU  16  -1.578   9.423 -15.498
  103    HA   GLU  16           HA       GLU  16  -0.835  10.480 -18.138
  104    HB2  GLU  16           2HB      GLU  16  -0.698   7.941 -17.421
  105    HB3  GLU  16           3HB      GLU  16  -2.413   7.966 -17.803
  106    HG2  GLU  16           2HG      GLU  16  -1.874   8.795 -20.057
  107    HG3  GLU  16           3HG      GLU  16  -0.159   8.678 -19.665
  108    H    ASN  17           H        ASN  17  -3.420  10.175 -15.885
  109    HA   ASN  17           HA       ASN  17  -5.288  11.276 -17.881
  110    HB2  ASN  17           2HB      ASN  17  -5.688   9.274 -15.695
  111    HB3  ASN  17           3HB      ASN  17  -7.026  10.335 -16.127
  112   HD21  ASN  17          1HD2      ASN  17  -7.182   7.606 -16.421
  113   HD22  ASN  17          2HD2      ASN  17  -7.239   7.215 -18.103
  114    H    THR  18           H        THR  18  -4.102  13.289 -17.100
  115    HA   THR  18           HA       THR  18  -4.579  14.293 -14.493
  116    HB   THR  18           HB       THR  18  -3.951  15.817 -17.030
  117    HG1  THR  18           HG1      THR  18  -2.283  14.775 -14.965
  118   HG21  THR  18          3HG2      THR  18  -2.952  17.402 -15.206
  119   HG22  THR  18          1HG2      THR  18  -4.123  16.611 -14.152
  120   HG23  THR  18          2HG2      THR  18  -4.672  17.475 -15.588
  Start of MODEL    4
    1    H1   VAL   1           H        VAL   1   1.934  -0.145   0.853
    2    HA   VAL   1           HA       VAL   1   3.119   0.730  -1.068
    3    HB   VAL   1           HB       VAL   1   3.306  -1.704  -0.794
    4   HG11  VAL   1          1HG1      VAL   1   0.913  -1.808  -2.627
    5   HG12  VAL   1          2HG1      VAL   1   1.894  -3.197  -2.157
    6   HG13  VAL   1          3HG1      VAL   1   0.969  -2.317  -0.940
    7   HG21  VAL   1          3HG2      VAL   1   4.411  -0.525  -2.680
    8   HG22  VAL   1          1HG2      VAL   1   4.050  -2.217  -3.024
    9   HG23  VAL   1          2HG2      VAL   1   3.035  -0.943  -3.700
   10    H    TYR   2           H        TYR   2  -0.260   0.426  -1.330
   11    HA   TYR   2           HA       TYR   2  -0.184   1.599  -4.033
   12    HB2  TYR   2           2HB      TYR   2  -1.252  -0.762  -3.646
   13    HB3  TYR   2           3HB      TYR   2  -2.602   0.162  -2.997
   14    HD1  TYR   2           HD2      TYR   2  -0.665  -0.614  -6.017
   15    HD2  TYR   2           HD1      TYR   2  -4.009   1.491  -4.440
   16    HE1  TYR   2           HE2      TYR   2  -1.509  -0.257  -8.299
   17    HE2  TYR   2           HE1      TYR   2  -4.863   1.853  -6.718
   18    HH   TYR   2           HH       TYR   2  -3.281   0.407  -9.523
   19    HA   PRO   3           HA       PRO   3  -2.071   4.580  -0.945
   20    HB2  PRO   3           2HB      PRO   3  -0.426   6.658  -1.535
   21    HB3  PRO   3           3HB      PRO   3  -0.039   5.443  -0.310
   22    HG2  PRO   3           2HG      PRO   3   0.908   5.646  -3.143
   23    HG3  PRO   3           3HG      PRO   3   1.829   5.246  -1.681
   24    HD2  PRO   3           2HD      PRO   3   0.961   3.358  -3.417
   25    HD3  PRO   3           3HD      PRO   3   1.110   3.057  -1.674
   26    H    PHE   4           H        PHE   4  -1.904   4.081  -4.189
   27    HA   PHE   4           HA       PHE   4  -2.721   6.571  -5.257
   28    HB2  PHE   4           2HB      PHE   4  -3.324   3.830  -6.380
   29    HB3  PHE   4           3HB      PHE   4  -3.258   5.351  -7.265
   30    HD1  PHE   4           HD2      PHE   4  -1.245   2.820  -5.503
   31    HD2  PHE   4           HD1      PHE   4  -1.202   6.241  -8.035
   32    HE1  PHE   4           HE2      PHE   4   1.137   2.431  -5.983
   33    HE2  PHE   4           HE1      PHE   4   1.179   5.857  -8.520
   34    HZ   PHE   4           HZ       PHE   4   2.352   3.951  -7.492
   35    H    MET   5           H        MET   5  -4.936   4.246  -6.258
   36    HA   MET   5           HA       MET   5  -7.221   5.626  -5.843
   37    HB2  MET   5           2HB      MET   5  -6.554   2.856  -6.330
   38    HB3  MET   5           3HB      MET   5  -7.984   2.980  -5.313
   39    HG2  MET   5           2HG      MET   5  -7.686   4.493  -7.888
   40    HG3  MET   5           3HG      MET   5  -8.370   2.871  -7.802
   41    HE1  MET   5           3HE      MET   5  -9.528   5.260  -9.076
   42    HE2  MET   5           1HE      MET   5 -10.972   4.260  -8.914
   43    HE3  MET   5           2HE      MET   5 -10.987   5.928  -8.343
   44    H    TRP   6           H        TRP   6  -5.533   3.660  -3.467
   45    HA   TRP   6           HA       TRP   6  -7.307   3.321  -1.460
   46    HB2  TRP   6           2HB      TRP   6  -4.442   3.602  -1.636
   47    HB3  TRP   6           3HB      TRP   6  -5.033   4.328  -0.144
   48    HD1  TRP   6           HD1      TRP   6  -4.342   1.004  -1.752
   49    HE1  TRP   6           HE1      TRP   6  -4.912  -0.889  -0.104
   50    HE3  TRP   6           HE3      TRP   6  -6.783   3.738   1.812
   51    HZ2  TRP   6           HZ2      TRP   6  -6.223  -1.184   2.378
   52    HZ3  TRP   6           HZ3      TRP   6  -7.665   2.574   3.792
   53    HH2  TRP   6           HH2      TRP   6  -7.391   0.164   4.067
   54    H    GLY   7           H        GLY   7  -5.150   6.149  -1.285
   55    HA2  GLY   7           2HA      GLY   7  -7.289   7.598   0.101
   56    HA3  GLY   7           3HA      GLY   7  -5.586   8.033   0.087
   57    H    GLY   8           H        GLY   8  -6.179   7.296  -3.012
   58    HA2  GLY   8           2HA      GLY   8  -7.651   8.854  -4.452
   59    HA3  GLY   8           3HA      GLY   8  -6.709  10.115  -3.671
   60    H    ALA   9           H        ALA   9  -6.707   7.578  -6.041
   61    HA   ALA   9           HA       ALA   9  -4.056   7.323  -6.705
   62    HB1  ALA   9           1HB      ALA   9  -5.730   5.983  -7.780
   63    HB2  ALA   9           2HB      ALA   9  -6.443   7.406  -8.543
   64    HB3  ALA   9           3HB      ALA   9  -4.834   6.862  -9.019
   65    H    TYR  10           H        TYR  10  -2.525   8.585  -7.559
   66    HA   TYR  10           HA       TYR  10  -3.324  11.070  -8.908
   67    HB2  TYR  10           2HB      TYR  10  -0.999  11.786  -7.621
   68    HB3  TYR  10           3HB      TYR  10  -2.626  12.215  -7.102
   69    HD1  TYR  10           HD1      TYR  10  -0.962   8.893  -6.934
   70    HD2  TYR  10           HD2      TYR  10  -2.453  12.237  -4.768
   71    HE1  TYR  10           HE1      TYR  10  -0.602   7.679  -4.825
   72    HE2  TYR  10           HE2      TYR  10  -2.097  11.034  -2.653
   73    HH   TYR  10           HH       TYR  10  -1.963   8.243  -2.125
   74    H    CYS  11           H        CYS  11  -2.178   8.334  -9.633
   75    HA   CYS  11           HA       CYS  11   0.050   9.372 -11.250
   76    HB2  CYS  11           2HB      CYS  11  -0.089   6.822  -9.662
   77    HB3  CYS  11           3HB      CYS  11   0.964   6.955 -11.064
   78    HG   CYS  11           HG       CYS  11   1.140   9.080  -8.390
   79    H    PHE  12           H        PHE  12  -0.864   6.043 -11.376
   80    HA   PHE  12           HA       PHE  12  -1.264   5.927 -14.093
   81    HB2  PHE  12           2HB      PHE  12  -2.255   3.774 -13.761
   82    HB3  PHE  12           3HB      PHE  12  -1.027   3.979 -12.516
   83    HD1  PHE  12           HD1      PHE  12  -2.419   5.637 -10.548
   84    HD2  PHE  12           HD2      PHE  12  -3.826   2.344 -12.849
   85    HE1  PHE  12           HE1      PHE  12  -4.095   5.146  -8.815
   86    HE2  PHE  12           HE2      PHE  12  -5.505   1.849 -11.120
   87    HZ   PHE  12           HZ       PHE  12  -5.642   3.251  -9.100
   88    H    CYS  13           H        CYS  13  -3.324   7.275 -11.735
   89    HA   CYS  13           HA       CYS  13  -5.615   7.241 -13.575
   90    HB2  CYS  13           2HB      CYS  13  -5.378   7.607 -10.602
   91    HB3  CYS  13           3HB      CYS  13  -6.805   8.173 -11.461
   92    HG   CYS  13           HG       CYS  13  -7.396   5.718 -10.265
   93    H    ASP  14           H        ASP  14  -3.145   9.222 -12.349
   94    HA   ASP  14           HA       ASP  14  -4.514  11.612 -13.396
   95    HB2  ASP  14           2HB      ASP  14  -3.248  11.166 -10.812
   96    HB3  ASP  14           3HB      ASP  14  -2.563  12.554 -11.653
   97    H    ALA  15           H        ALA  15  -1.294  10.278 -12.651
   98    HA   ALA  15           HA       ALA  15   0.373  11.912 -13.990
   99    HB1  ALA  15           1HB      ALA  15   1.228   9.360 -14.782
  100    HB2  ALA  15           2HB      ALA  15   1.756  10.288 -13.377
  101    HB3  ALA  15           3HB      ALA  15   0.419   9.147 -13.229
  102    H    GLU  16           H        GLU  16  -1.669   9.434 -15.490
  103    HA   GLU  16           HA       GLU  16  -0.930  10.494 -18.133
  104    HB2  GLU  16           2HB      GLU  16  -0.772   7.954 -17.425
  105    HB3  GLU  16           3HB      GLU  16  -2.489   7.968 -17.799
  106    HG2  GLU  16           2HG      GLU  16  -1.707   7.384 -19.834
  107    HG3  GLU  16           3HG      GLU  16  -1.604   9.134 -20.012
  108    H    ASN  17           H        ASN  17  -3.505  10.163 -15.871
  109    HA   ASN  17           HA       ASN  17  -5.387  11.260 -17.857
  110    HB2  ASN  17           2HB      ASN  17  -5.773   9.254 -15.670
  111    HB3  ASN  17           3HB      ASN  17  -7.118  10.299 -16.116
  112   HD21  ASN  17          1HD2      ASN  17  -8.366   8.681 -16.962
  113   HD22  ASN  17          2HD2      ASN  17  -7.973   7.850 -18.424
  114    H    THR  18           H        THR  18  -4.045  13.208 -16.938
  115    HA   THR  18           HA       THR  18  -4.519  14.222 -14.383
  116    HB   THR  18           HB       THR  18  -4.312  16.507 -15.840
  117    HG1  THR  18           HG1      THR  18  -4.279  15.084 -17.774
  118   HG21  THR  18          3HG2      THR  18  -2.618  14.840 -14.292
  119   HG22  THR  18          1HG2      THR  18  -2.446  16.563 -14.626
  120   HG23  THR  18          2HG2      THR  18  -1.700  15.378 -15.698
  Start of MODEL    5
    1    H1   VAL   1           H        VAL   1   1.203  -0.653   0.440
    2    HA   VAL   1           HA       VAL   1   3.153   0.788  -1.051
    3    HB   VAL   1           HB       VAL   1   3.328  -1.631  -0.742
    4   HG11  VAL   1          1HG1      VAL   1   1.099  -2.385  -0.747
    5   HG12  VAL   1          2HG1      VAL   1   0.776  -1.674  -2.329
    6   HG13  VAL   1          3HG1      VAL   1   1.828  -3.083  -2.193
    7   HG21  VAL   1          3HG2      VAL   1   4.384  -0.535  -2.695
    8   HG22  VAL   1          1HG2      VAL   1   3.965  -2.222  -2.994
    9   HG23  VAL   1          2HG2      VAL   1   2.959  -0.933  -3.654
   10    H    TYR   2           H        TYR   2  -0.239   0.480  -1.301
   11    HA   TYR   2           HA       TYR   2  -0.163   1.643  -4.008
   12    HB2  TYR   2           2HB      TYR   2  -1.217  -0.722  -3.616
   13    HB3  TYR   2           3HB      TYR   2  -2.574   0.196  -2.972
   14    HD1  TYR   2           HD2      TYR   2  -0.630  -0.583  -5.986
   15    HD2  TYR   2           HD1      TYR   2  -3.984   1.517  -4.422
   16    HE1  TYR   2           HE2      TYR   2  -1.472  -0.238  -8.271
   17    HE2  TYR   2           HE1      TYR   2  -4.836   1.866  -6.702
   18    HH   TYR   2           HH       TYR   2  -2.940   1.126  -9.506
   19    HA   PRO   3           HA       PRO   3  -2.075   4.625  -0.937
   20    HB2  PRO   3           2HB      PRO   3  -0.439   6.709  -1.528
   21    HB3  PRO   3           3HB      PRO   3  -0.049   5.501  -0.298
   22    HG2  PRO   3           2HG      PRO   3   0.906   5.699  -3.128
   23    HG3  PRO   3           3HG      PRO   3   1.824   5.310  -1.662
   24    HD2  PRO   3           2HD      PRO   3   0.972   3.411  -3.394
   25    HD3  PRO   3           3HD      PRO   3   1.117   3.116  -1.649
   26    H    PHE   4           H        PHE   4  -1.890   4.118  -4.180
   27    HA   PHE   4           HA       PHE   4  -2.716   6.598  -5.261
   28    HB2  PHE   4           2HB      PHE   4  -3.307   3.851  -6.373
   29    HB3  PHE   4           3HB      PHE   4  -3.242   5.367  -7.264
   30    HD1  PHE   4           HD2      PHE   4  -1.229   2.848  -5.486
   31    HD2  PHE   4           HD1      PHE   4  -1.185   6.260  -8.030
   32    HE1  PHE   4           HE2      PHE   4   1.155   2.462  -5.956
   33    HE2  PHE   4           HE1      PHE   4   1.199   5.879  -8.505
   34    HZ   PHE   4           HZ       PHE   4   2.372   3.980  -7.466
   35    H    MET   5           H        MET   5  -4.920   4.261  -6.257
   36    HA   MET   5           HA       MET   5  -7.211   5.635  -5.854
   37    HB2  MET   5           2HB      MET   5  -6.533   2.865  -6.327
   38    HB3  MET   5           3HB      MET   5  -7.966   2.988  -5.315
   39    HG2  MET   5           2HG      MET   5  -7.946   4.774  -7.639
   40    HG3  MET   5           3HG      MET   5  -7.967   3.055  -8.021
   41    HE1  MET   5           3HE      MET   5 -10.629   2.932  -9.060
   42    HE2  MET   5           1HE      MET   5 -11.651   4.263  -8.518
   43    HE3  MET   5           2HE      MET   5 -10.034   4.591  -9.143
   44    H    TRP   6           H        TRP   6  -5.522   3.685  -3.466
   45    HA   TRP   6           HA       TRP   6  -7.300   3.346  -1.462
   46    HB2  TRP   6           2HB      TRP   6  -4.435   3.639  -1.632
   47    HB3  TRP   6           3HB      TRP   6  -5.033   4.372  -0.145
   48    HD1  TRP   6           HD1      TRP   6  -4.327   1.041  -1.733
   49    HE1  TRP   6           HE1      TRP   6  -4.893  -0.844  -0.074
   50    HE3  TRP   6           HE3      TRP   6  -6.781   3.787   1.813
   51    HZ2  TRP   6           HZ2      TRP   6  -6.206  -1.130   2.408
   52    HZ3  TRP   6           HZ3      TRP   6  -7.662   2.632   3.799
   53    HH2  TRP   6           HH2      TRP   6  -7.379   0.224   4.088
   54    H    GLY   7           H        GLY   7  -5.158   6.187  -1.296
   55    HA2  GLY   7           2HA      GLY   7  -7.308   7.631   0.078
   56    HA3  GLY   7           3HA      GLY   7  -5.607   8.074   0.070
   57    H    GLY   8           H        GLY   8  -6.180   7.323  -3.029
   58    HA2  GLY   8           2HA      GLY   8  -7.655   8.869  -4.480
   59    HA3  GLY   8           3HA      GLY   8  -6.719  10.137  -3.702
   60    H    ALA   9           H        ALA   9  -6.703   7.589  -6.061
   61    HA   ALA   9           HA       ALA   9  -4.049   7.338  -6.715
   62    HB1  ALA   9           1HB      ALA   9  -6.430   7.409  -8.561
   63    HB2  ALA   9           2HB      ALA   9  -4.819   6.866  -9.030
   64    HB3  ALA   9           3HB      ALA   9  -5.717   5.991  -7.791
   65    H    TYR  10           H        TYR  10  -2.518   8.601  -7.571
   66    HA   TYR  10           HA       TYR  10  -3.320  11.078  -8.932
   67    HB2  TYR  10           2HB      TYR  10  -0.999  11.803  -7.640
   68    HB3  TYR  10           3HB      TYR  10  -2.628  12.234  -7.131
   69    HD1  TYR  10           HD1      TYR  10  -0.960   8.915  -6.937
   70    HD2  TYR  10           HD2      TYR  10  -2.472  12.267  -4.797
   71    HE1  TYR  10           HE1      TYR  10  -0.610   7.713  -4.820
   72    HE2  TYR  10           HE2      TYR  10  -2.126  11.075  -2.674
   73    HH   TYR  10           HH       TYR  10  -1.982   8.611  -1.950
   74    H    CYS  11           H        CYS  11  -2.162   8.341  -9.640
   75    HA   CYS  11           HA       CYS  11   0.068   9.378 -11.255
   76    HB2  CYS  11           2HB      CYS  11  -0.070   6.835  -9.655
   77    HB3  CYS  11           3HB      CYS  11   0.988   6.965 -11.056
   78    HG   CYS  11           HG       CYS  11   1.211   9.338  -8.642
   79    H    PHE  12           H        PHE  12  -0.837   6.046 -11.369
   80    HA   PHE  12           HA       PHE  12  -1.228   5.917 -14.087
   81    HB2  PHE  12           2HB      PHE  12  -2.215   3.762 -13.747
   82    HB3  PHE  12           3HB      PHE  12  -0.992   3.976 -12.499
   83    HD1  PHE  12           HD1      PHE  12  -2.394   5.640 -10.544
   84    HD2  PHE  12           HD2      PHE  12  -3.787   2.334 -12.835
   85    HE1  PHE  12           HE1      PHE  12  -4.075   5.153  -8.814
   86    HE2  PHE  12           HE2      PHE  12  -5.471   1.843 -11.109
   87    HZ   PHE  12           HZ       PHE  12  -5.617   3.254  -9.096
   88    H    CYS  13           H        CYS  13  -3.299   7.270 -11.742
   89    HA   CYS  13           HA       CYS  13  -5.584   7.222 -13.589
   90    HB2  CYS  13           2HB      CYS  13  -5.358   7.603 -10.617
   91    HB3  CYS  13           3HB      CYS  13  -6.784   8.162 -11.484
   92    HG   CYS  13           HG       CYS  13  -7.990   5.902 -11.504
   93    H    ASP  14           H        ASP  14  -3.123   9.216 -12.363
   94    HA   ASP  14           HA       ASP  14  -4.494  11.598 -13.426
   95    HB2  ASP  14           2HB      ASP  14  -3.242  11.166 -10.835
   96    HB3  ASP  14           3HB      ASP  14  -2.547  12.547 -11.679
   97    H    ALA  15           H        ALA  15  -1.274  10.274 -12.665
   98    HA   ALA  15           HA       ALA  15   0.394  11.905 -14.006
   99    HB1  ALA  15           1HB      ALA  15   1.254   9.350 -14.786
  100    HB2  ALA  15           2HB      ALA  15   1.780  10.287 -13.386
  101    HB3  ALA  15           3HB      ALA  15   0.444   9.146 -13.232
  102    H    GLU  16           H        GLU  16  -1.638   9.418 -15.503
  103    HA   GLU  16           HA       GLU  16  -0.884  10.456 -18.148
  104    HB2  GLU  16           2HB      GLU  16  -0.763   7.919 -17.419
  105    HB3  GLU  16           3HB      GLU  16  -2.479   7.954 -17.803
  106    HG2  GLU  16           2HG      GLU  16  -1.051   9.205 -19.921
  107    HG3  GLU  16           3HG      GLU  16  -0.291   7.657 -19.559
  108    H    ASN  17           H        ASN  17  -3.473  10.178 -15.896
  109    HA   ASN  17           HA       ASN  17  -5.328  11.292 -17.897
  110    HB2  ASN  17           2HB      ASN  17  -5.731   9.254 -15.756
  111    HB3  ASN  17           3HB      ASN  17  -7.062  10.351 -16.112
  112   HD21  ASN  17          1HD2      ASN  17  -5.655   7.463 -16.891
  113   HD22  ASN  17          2HD2      ASN  17  -6.394   7.200 -18.431
  114    H    THR  18           H        THR  18  -4.049  13.260 -17.035
  115    HA   THR  18           HA       THR  18  -4.660  14.246 -14.439
  116    HB   THR  18           HB       THR  18  -3.954  16.096 -16.681
  117    HG1  THR  18           HG1      THR  18  -2.265  14.115 -15.530
  118   HG21  THR  18          3HG2      THR  18  -2.452  16.098 -14.159
  119   HG22  THR  18          1HG2      THR  18  -4.177  16.419 -13.982
  120   HG23  THR  18          2HG2      THR  18  -3.194  17.435 -15.037
  Start of MODEL    6
    1    H1   VAL   1           H        VAL   1   1.824  -0.107   0.820
    2    HA   VAL   1           HA       VAL   1   3.001   0.744  -1.021
    3    HB   VAL   1           HB       VAL   1   3.306  -1.724  -0.877
    4   HG11  VAL   1          1HG1      VAL   1   1.028  -2.411  -1.383
    5   HG12  VAL   1          2HG1      VAL   1   1.184  -1.774  -3.021
    6   HG13  VAL   1          3HG1      VAL   1   2.163  -3.150  -2.511
    7   HG21  VAL   1          3HG2      VAL   1   3.515  -1.530  -3.720
    8   HG22  VAL   1          1HG2      VAL   1   3.926   0.026  -2.999
    9   HG23  VAL   1          2HG2      VAL   1   4.789  -1.431  -2.505
   10    H    TYR   2           H        TYR   2  -0.313   0.402  -1.347
   11    HA   TYR   2           HA       TYR   2  -0.244   1.587  -4.045
   12    HB2  TYR   2           2HB      TYR   2  -1.324  -0.769  -3.664
   13    HB3  TYR   2           3HB      TYR   2  -2.665   0.160  -3.004
   14    HD1  TYR   2           HD2      TYR   2  -0.744  -0.609  -6.037
   15    HD2  TYR   2           HD1      TYR   2  -4.073   1.501  -4.434
   16    HE1  TYR   2           HE2      TYR   2  -1.596  -0.235  -8.314
   17    HE2  TYR   2           HE1      TYR   2  -4.935   1.879  -6.706
   18    HH   TYR   2           HH       TYR   2  -3.248   0.583  -9.551
   19    HA   PRO   3           HA       PRO   3  -2.099   4.561  -0.930
   20    HB2  PRO   3           2HB      PRO   3  -0.439   6.630  -1.507
   21    HB3  PRO   3           3HB      PRO   3  -0.059   5.404  -0.292
   22    HG2  PRO   3           2HG      PRO   3   0.885   5.620  -3.125
   23    HG3  PRO   3           3HG      PRO   3   1.805   5.203  -1.668
   24    HD2  PRO   3           2HD      PRO   3   0.920   3.334  -3.416
   25    HD3  PRO   3           3HD      PRO   3   1.069   3.019  -1.675
   26    H    PHE   4           H        PHE   4  -1.942   4.084  -4.177
   27    HA   PHE   4           HA       PHE   4  -2.742   6.588  -5.227
   28    HB2  PHE   4           2HB      PHE   4  -3.369   3.861  -6.368
   29    HB3  PHE   4           3HB      PHE   4  -3.289   5.387  -7.242
   30    HD1  PHE   4           HD2      PHE   4  -1.299   2.825  -5.500
   31    HD2  PHE   4           HD1      PHE   4  -1.226   6.263  -8.008
   32    HE1  PHE   4           HE2      PHE   4   1.079   2.417  -5.984
   33    HE2  PHE   4           HE1      PHE   4   1.152   5.860  -8.497
   34    HZ   PHE   4           HZ       PHE   4   2.307   3.936  -7.484
   35    H    MET   5           H        MET   5  -4.976   4.287  -6.241
   36    HA   MET   5           HA       MET   5  -7.250   5.681  -5.812
   37    HB2  MET   5           2HB      MET   5  -6.604   2.909  -6.317
   38    HB3  MET   5           3HB      MET   5  -8.032   3.038  -5.298
   39    HG2  MET   5           2HG      MET   5  -8.201   4.923  -7.446
   40    HG3  MET   5           3HG      MET   5  -7.865   3.314  -8.081
   41    HE1  MET   5           3HE      MET   5 -11.611   4.275  -8.535
   42    HE2  MET   5           1HE      MET   5  -9.971   4.450  -9.161
   43    HE3  MET   5           2HE      MET   5 -10.767   2.877  -9.201
   44    H    TRP   6           H        TRP   6  -5.573   3.685  -3.452
   45    HA   TRP   6           HA       TRP   6  -7.345   3.346  -1.444
   46    HB2  TRP   6           2HB      TRP   6  -4.479   3.607  -1.624
   47    HB3  TRP   6           3HB      TRP   6  -5.060   4.332  -0.128
   48    HD1  TRP   6           HD1      TRP   6  -4.393   1.010  -1.746
   49    HE1  TRP   6           HE1      TRP   6  -4.976  -0.885  -0.105
   50    HE3  TRP   6           HE3      TRP   6  -6.818   3.747   1.827
   51    HZ2  TRP   6           HZ2      TRP   6  -6.290  -1.181   2.375
   52    HZ3  TRP   6           HZ3      TRP   6  -7.708   2.582   3.803
   53    HH2  TRP   6           HH2      TRP   6  -7.449   0.169   4.069
   54    H    GLY   7           H        GLY   7  -5.172   6.161  -1.260
   55    HA2  GLY   7           2HA      GLY   7  -7.300   7.614   0.139
   56    HA3  GLY   7           3HA      GLY   7  -5.594   8.038   0.129
   57    H    GLY   8           H        GLY   8  -6.192   7.325  -2.976
   58    HA2  GLY   8           2HA      GLY   8  -7.653   8.904  -4.405
   59    HA3  GLY   8           3HA      GLY   8  -6.701  10.153  -3.615
   60    H    ALA   9           H        ALA   9  -6.719   7.629  -6.001
   61    HA   ALA   9           HA       ALA   9  -4.070   7.358  -6.668
   62    HB1  ALA   9           1HB      ALA   9  -4.851   6.916  -8.984
   63    HB2  ALA   9           2HB      ALA   9  -5.759   6.040  -7.751
   64    HB3  ALA   9           3HB      ALA   9  -6.455   7.473  -8.507
   65    H    TYR  10           H        TYR  10  -2.530   8.615  -7.515
   66    HA   TYR  10           HA       TYR  10  -3.311  11.113  -8.848
   67    HB2  TYR  10           2HB      TYR  10  -0.980  11.804  -7.558
   68    HB3  TYR  10           3HB      TYR  10  -2.603  12.241  -7.035
   69    HD1  TYR  10           HD1      TYR  10  -0.964   8.906  -6.890
   70    HD2  TYR  10           HD2      TYR  10  -2.427  12.248  -4.701
   71    HE1  TYR  10           HE1      TYR  10  -0.612   7.676  -4.789
   72    HE2  TYR  10           HE2      TYR  10  -2.078  11.028  -2.594
   73    HH   TYR  10           HH       TYR  10  -0.330   8.912  -1.961
   74    H    CYS  11           H        CYS  11  -2.185   8.373  -9.590
   75    HA   CYS  11           HA       CYS  11   0.050   9.404 -11.202
   76    HB2  CYS  11           2HB      CYS  11  -0.109   6.845  -9.630
   77    HB3  CYS  11           3HB      CYS  11   0.945   6.979 -11.032
   78    HG   CYS  11           HG       CYS  11   2.828   8.404  -9.940
   79    H    PHE  12           H        PHE  12  -0.890   6.083 -11.349
   80    HA   PHE  12           HA       PHE  12  -1.293   5.989 -14.067
   81    HB2  PHE  12           2HB      PHE  12  -2.299   3.841 -13.748
   82    HB3  PHE  12           3HB      PHE  12  -1.069   4.028 -12.503
   83    HD1  PHE  12           HD1      PHE  12  -2.449   5.684 -10.524
   84    HD2  PHE  12           HD2      PHE  12  -3.879   2.414 -12.844
   85    HE1  PHE  12           HE1      PHE  12  -4.127   5.194  -8.793
   86    HE2  PHE  12           HE2      PHE  12  -5.559   1.920 -11.117
   87    HZ   PHE  12           HZ       PHE  12  -5.686   3.310  -9.088
   88    H    CYS  13           H        CYS  13  -3.341   7.336 -11.698
   89    HA   CYS  13           HA       CYS  13  -5.634   7.331 -13.536
   90    HB2  CYS  13           2HB      CYS  13  -5.391   7.677 -10.561
   91    HB3  CYS  13           3HB      CYS  13  -6.815   8.259 -11.415
   92    HG   CYS  13           HG       CYS  13  -7.091   5.662 -10.104
   93    H    ASP  14           H        ASP  14  -3.147   9.287 -12.300
   94    HA   ASP  14           HA       ASP  14  -4.500  11.693 -13.331
   95    HB2  ASP  14           2HB      ASP  14  -3.235  11.222 -10.752
   96    HB3  ASP  14           3HB      ASP  14  -2.541  12.610 -11.584
   97    H    ALA  15           H        ALA  15  -1.289  10.331 -12.597
   98    HA   ALA  15           HA       ALA  15   0.388  11.960 -13.929
   99    HB1  ALA  15           1HB      ALA  15   0.415   9.192 -13.182
  100    HB2  ALA  15           2HB      ALA  15   1.223   9.406 -14.736
  101    HB3  ALA  15           3HB      ALA  15   1.760  10.323 -13.328
  102    H    GLU  16           H        GLU  16  -1.672   9.506 -15.442
  103    HA   GLU  16           HA       GLU  16  -0.934  10.583 -18.077
  104    HB2  GLU  16           2HB      GLU  16  -0.771   8.038 -17.390
  105    HB3  GLU  16           3HB      GLU  16  -2.489   8.052 -17.762
  106    HG2  GLU  16           2HG      GLU  16  -2.120   8.578 -20.007
  107    HG3  GLU  16           3HG      GLU  16  -0.462   9.094 -19.705
  108    H    ASN  17           H        ASN  17  -3.505  10.229 -15.814
  109    HA   ASN  17           HA       ASN  17  -5.395  11.331 -17.790
  110    HB2  ASN  17           2HB      ASN  17  -5.764   9.318 -15.609
  111    HB3  ASN  17           3HB      ASN  17  -7.113  10.367 -16.031
  112   HD21  ASN  17          1HD2      ASN  17  -5.843   7.440 -16.575
  113   HD22  ASN  17          2HD2      ASN  17  -6.448   7.129 -18.164
  114    H    THR  18           H        THR  18  -4.099  13.302 -16.917
  115    HA   THR  18           HA       THR  18  -4.976  14.266 -14.333
  116    HB   THR  18           HB       THR  18  -2.716  14.806 -15.027
  117    HG1  THR  18           HG1      THR  18  -3.511  16.414 -13.764
  118   HG21  THR  18          3HG2      THR  18  -3.245  16.787 -17.034
  119   HG22  THR  18          1HG2      THR  18  -3.895  15.231 -17.548
  120   HG23  THR  18          2HG2      THR  18  -2.191  15.376 -17.116
  Start of MODEL    7
    1    H1   VAL   1           H        VAL   1   1.859   0.175   0.902
    2    HA   VAL   1           HA       VAL   1   3.071   0.727  -0.988
    3    HB   VAL   1           HB       VAL   1   3.262  -1.735  -0.739
    4   HG11  VAL   1          1HG1      VAL   1   0.933  -2.329  -1.128
    5   HG12  VAL   1          2HG1      VAL   1   1.065  -1.798  -2.806
    6   HG13  VAL   1          3HG1      VAL   1   1.991  -3.190  -2.245
    7   HG21  VAL   1          3HG2      VAL   1   4.198  -2.142  -2.923
    8   HG22  VAL   1          1HG2      VAL   1   3.237  -0.837  -3.618
    9   HG23  VAL   1          2HG2      VAL   1   4.518  -0.470  -2.463
   10    H    TYR   2           H        TYR   2  -0.285   0.389  -1.320
   11    HA   TYR   2           HA       TYR   2  -0.178   1.581  -4.014
   12    HB2  TYR   2           2HB      TYR   2  -1.236  -0.789  -3.658
   13    HB3  TYR   2           3HB      TYR   2  -2.601   0.122  -3.022
   14    HD1  TYR   2           HD2      TYR   2  -0.615  -0.622  -6.019
   15    HD2  TYR   2           HD1      TYR   2  -3.995   1.452  -4.477
   16    HE1  TYR   2           HE2      TYR   2  -1.428  -0.254  -8.311
   17    HE2  TYR   2           HE1      TYR   2  -4.818   1.825  -6.765
   18    HH   TYR   2           HH       TYR   2  -3.286   0.328  -9.534
   19    HA   PRO   3           HA       PRO   3  -2.128   4.529  -0.933
   20    HB2  PRO   3           2HB      PRO   3  -0.488   6.621  -1.485
   21    HB3  PRO   3           3HB      PRO   3  -0.110   5.400  -0.263
   22    HG2  PRO   3           2HG      PRO   3   0.876   5.628  -3.081
   23    HG3  PRO   3           3HG      PRO   3   1.778   5.225  -1.609
   24    HD2  PRO   3           2HD      PRO   3   0.947   3.343  -3.369
   25    HD3  PRO   3           3HD      PRO   3   1.073   3.030  -1.626
   26    H    PHE   4           H        PHE   4  -1.910   4.053  -4.178
   27    HA   PHE   4           HA       PHE   4  -2.728   6.545  -5.242
   28    HB2  PHE   4           2HB      PHE   4  -3.298   3.808  -6.389
   29    HB3  PHE   4           3HB      PHE   4  -3.231   5.334  -7.264
   30    HD1  PHE   4           HD2      PHE   4  -1.224   2.805  -5.492
   31    HD2  PHE   4           HD1      PHE   4  -1.171   6.243  -8.000
   32    HE1  PHE   4           HE2      PHE   4   1.166   2.436  -5.942
   33    HE2  PHE   4           HE1      PHE   4   1.219   5.879  -8.455
   34    HZ   PHE   4           HZ       PHE   4   2.392   3.974  -7.425
   35    H    MET   5           H        MET   5  -4.915   4.215  -6.289
   36    HA   MET   5           HA       MET   5  -7.214   5.579  -5.896
   37    HB2  MET   5           2HB      MET   5  -6.524   2.816  -6.393
   38    HB3  MET   5           3HB      MET   5  -7.969   2.925  -5.396
   39    HG2  MET   5           2HG      MET   5  -8.418   4.803  -7.352
   40    HG3  MET   5           3HG      MET   5  -7.595   3.507  -8.216
   41    HE1  MET   5           3HE      MET   5 -10.965   3.978  -5.736
   42    HE2  MET   5           1HE      MET   5 -10.539   5.021  -7.093
   43    HE3  MET   5           2HE      MET   5 -11.849   3.851  -7.257
   44    H    TRP   6           H        TRP   6  -5.548   3.605  -3.511
   45    HA   TRP   6           HA       TRP   6  -7.348   3.242  -1.532
   46    HB2  TRP   6           2HB      TRP   6  -4.482   3.541  -1.665
   47    HB3  TRP   6           3HB      TRP   6  -5.098   4.252  -0.176
   48    HD1  TRP   6           HD1      TRP   6  -4.365   0.945  -1.800
   49    HE1  TRP   6           HE1      TRP   6  -4.947  -0.965  -0.175
   50    HE3  TRP   6           HE3      TRP   6  -6.872   3.636   1.751
   51    HZ2  TRP   6           HZ2      TRP   6  -6.292  -1.287   2.286
   52    HZ3  TRP   6           HZ3      TRP   6  -7.776   2.452   3.709
   53    HH2  TRP   6           HH2      TRP   6  -7.491   0.041   3.969
   54    H    GLY   7           H        GLY   7  -5.210   6.080  -1.305
   55    HA2  GLY   7           2HA      GLY   7  -7.375   7.507   0.062
   56    HA3  GLY   7           3HA      GLY   7  -5.675   7.953   0.073
   57    H    GLY   8           H        GLY   8  -6.219   7.235  -3.039
   58    HA2  GLY   8           2HA      GLY   8  -7.683   8.793  -4.487
   59    HA3  GLY   8           3HA      GLY   8  -6.760  10.055  -3.684
   60    H    ALA   9           H        ALA   9  -6.709   7.532  -6.070
   61    HA   ALA   9           HA       ALA   9  -4.049   7.299  -6.701
   62    HB1  ALA   9           1HB      ALA   9  -6.411   7.381  -8.571
   63    HB2  ALA   9           2HB      ALA   9  -4.793   6.847  -9.028
   64    HB3  ALA   9           3HB      ALA   9  -5.703   5.957  -7.807
   65    H    TYR  10           H        TYR  10  -2.514   8.576  -7.528
   66    HA   TYR  10           HA       TYR  10  -3.312  11.065  -8.869
   67    HB2  TYR  10           2HB      TYR  10  -1.007  11.785  -7.547
   68    HB3  TYR  10           3HB      TYR  10  -2.642  12.202  -7.048
   69    HD1  TYR  10           HD1      TYR  10  -0.962   8.888  -6.879
   70    HD2  TYR  10           HD2      TYR  10  -2.503  12.210  -4.712
   71    HE1  TYR  10           HE1      TYR  10  -0.625   7.663  -4.773
   72    HE2  TYR  10           HE2      TYR  10  -2.169  10.995  -2.600
   73    HH   TYR  10           HH       TYR  10  -1.835   8.869  -1.732
   74    H    CYS  11           H        CYS  11  -2.138   8.340  -9.597
   75    HA   CYS  11           HA       CYS  11   0.104   9.403 -11.179
   76    HB2  CYS  11           2HB      CYS  11  -0.040   6.842  -9.609
   77    HB3  CYS  11           3HB      CYS  11   1.030   6.991 -10.997
   78    HG   CYS  11           HG       CYS  11   1.652   9.615  -9.269
   79    H    PHE  12           H        PHE  12  -0.788   6.069 -11.338
   80    HA   PHE  12           HA       PHE  12  -1.153   5.969 -14.061
   81    HB2  PHE  12           2HB      PHE  12  -2.134   3.807 -13.755
   82    HB3  PHE  12           3HB      PHE  12  -0.924   4.012 -12.493
   83    HD1  PHE  12           HD1      PHE  12  -2.351   5.647 -10.533
   84    HD2  PHE  12           HD2      PHE  12  -3.709   2.362 -12.874
   85    HE1  PHE  12           HE1      PHE  12  -4.046   5.135  -8.825
   86    HE2  PHE  12           HE2      PHE  12  -5.407   1.845 -11.170
   87    HZ   PHE  12           HZ       PHE  12  -5.578   3.233  -9.143
   88    H    CYS  13           H        CYS  13  -3.251   7.289 -11.721
   89    HA   CYS  13           HA       CYS  13  -5.518   7.253 -13.590
   90    HB2  CYS  13           2HB      CYS  13  -5.321   7.601 -10.612
   91    HB3  CYS  13           3HB      CYS  13  -6.741   8.164 -11.486
   92    HG   CYS  13           HG       CYS  13  -6.853   5.503 -10.157
   93    H    ASP  14           H        ASP  14  -3.076   9.241 -12.319
   94    HA   ASP  14           HA       ASP  14  -4.446  11.630 -13.369
   95    HB2  ASP  14           2HB      ASP  14  -3.211  11.175 -10.772
   96    HB3  ASP  14           3HB      ASP  14  -2.525  12.573 -11.595
   97    H    ALA  15           H        ALA  15  -1.228  10.310 -12.590
   98    HA   ALA  15           HA       ALA  15   0.446  11.963 -13.897
   99    HB1  ALA  15           1HB      ALA  15   1.830  10.346 -13.274
  100    HB2  ALA  15           2HB      ALA  15   0.499   9.193 -13.154
  101    HB3  ALA  15           3HB      ALA  15   1.330   9.424 -14.693
  102    H    GLU  16           H        GLU  16  -1.559   9.481 -15.440
  103    HA   GLU  16           HA       GLU  16  -0.790  10.559 -18.066
  104    HB2  GLU  16           2HB      GLU  16  -0.633   8.016 -17.369
  105    HB3  GLU  16           3HB      GLU  16  -2.346   8.026 -17.766
  106    HG2  GLU  16           2HG      GLU  16  -1.500   9.168 -19.971
  107    HG3  GLU  16           3HG      GLU  16   0.014   8.378 -19.537
  108    H    ASN  17           H        ASN  17  -3.394  10.209 -15.841
  109    HA   ASN  17           HA       ASN  17  -5.249  11.320 -17.844
  110    HB2  ASN  17           2HB      ASN  17  -5.647   9.255 -15.724
  111    HB3  ASN  17           3HB      ASN  17  -6.992  10.325 -16.108
  112   HD21  ASN  17          1HD2      ASN  17  -7.391  10.548 -18.527
  113   HD22  ASN  17          2HD2      ASN  17  -7.358   9.080 -19.438
  114    H    THR  18           H        THR  18  -4.015  13.298 -16.943
  115    HA   THR  18           HA       THR  18  -4.758  14.223 -14.336
  116    HB   THR  18           HB       THR  18  -2.659  14.950 -15.393
  117    HG1  THR  18           HG1      THR  18  -3.069  17.286 -15.029
  118   HG21  THR  18          3HG2      THR  18  -3.429  15.077 -17.710
  119   HG22  THR  18          1HG2      THR  18  -2.703  16.602 -17.206
  120   HG23  THR  18          2HG2      THR  18  -4.457  16.450 -17.303
  Start of MODEL    8
    1    H1   VAL   1           H        VAL   1   0.852  -0.546   0.104
    2    HA   VAL   1           HA       VAL   1   3.189   0.818  -1.052
    3    HB   VAL   1           HB       VAL   1   3.425  -1.617  -0.803
    4   HG11  VAL   1          1HG1      VAL   1   2.063  -3.104  -2.253
    5   HG12  VAL   1          2HG1      VAL   1   1.131  -2.315  -0.978
    6   HG13  VAL   1          3HG1      VAL   1   1.035  -1.723  -2.637
    7   HG21  VAL   1          3HG2      VAL   1   4.535  -0.394  -2.652
    8   HG22  VAL   1          1HG2      VAL   1   4.202  -2.083  -3.036
    9   HG23  VAL   1          2HG2      VAL   1   3.178  -0.809  -3.699
   10    H    TYR   2           H        TYR   2  -0.181   0.430  -1.339
   11    HA   TYR   2           HA       TYR   2  -0.118   1.645  -4.025
   12    HB2  TYR   2           2HB      TYR   2  -1.125  -0.750  -3.678
   13    HB3  TYR   2           3HB      TYR   2  -2.504   0.129  -3.027
   14    HD1  TYR   2           HD2      TYR   2  -0.523  -0.554  -6.041
   15    HD2  TYR   2           HD1      TYR   2  -3.934   1.440  -4.464
   16    HE1  TYR   2           HE2      TYR   2  -1.358  -0.188  -8.326
   17    HE2  TYR   2           HE1      TYR   2  -4.779   1.811  -6.744
   18    HH   TYR   2           HH       TYR   2  -4.412   0.558  -9.069
   19    HA   PRO   3           HA       PRO   3  -2.104   4.529  -0.908
   20    HB2  PRO   3           2HB      PRO   3  -0.511   6.658  -1.456
   21    HB3  PRO   3           3HB      PRO   3  -0.100   5.437  -0.246
   22    HG2  PRO   3           2HG      PRO   3   0.860   5.705  -3.069
   23    HG3  PRO   3           3HG      PRO   3   1.782   5.310  -1.607
   24    HD2  PRO   3           2HD      PRO   3   0.976   3.424  -3.376
   25    HD3  PRO   3           3HD      PRO   3   1.121   3.102  -1.636
   26    H    PHE   4           H        PHE   4  -1.901   4.082  -4.157
   27    HA   PHE   4           HA       PHE   4  -2.776   6.564  -5.198
   28    HB2  PHE   4           2HB      PHE   4  -3.304   3.824  -6.359
   29    HB3  PHE   4           3HB      PHE   4  -3.272   5.357  -7.224
   30    HD1  PHE   4           HD2      PHE   4  -1.206   2.853  -5.484
   31    HD2  PHE   4           HD1      PHE   4  -1.235   6.308  -7.970
   32    HE1  PHE   4           HE2      PHE   4   1.187   2.530  -5.955
   33    HE2  PHE   4           HE1      PHE   4   1.158   5.989  -8.446
   34    HZ   PHE   4           HZ       PHE   4   2.373   4.099  -7.437
   35    H    MET   5           H        MET   5  -4.928   4.204  -6.247
   36    HA   MET   5           HA       MET   5  -7.249   5.521  -5.823
   37    HB2  MET   5           2HB      MET   5  -6.512   2.774  -6.346
   38    HB3  MET   5           3HB      MET   5  -7.953   2.851  -5.341
   39    HG2  MET   5           2HG      MET   5  -9.050   4.262  -6.978
   40    HG3  MET   5           3HG      MET   5  -7.596   4.265  -7.973
   41    HE1  MET   5           3HE      MET   5 -10.760   2.885  -7.035
   42    HE2  MET   5           1HE      MET   5 -10.995   1.405  -7.966
   43    HE3  MET   5           2HE      MET   5 -10.183   1.342  -6.402
   44    H    TRP   6           H        TRP   6  -5.528   3.556  -3.469
   45    HA   TRP   6           HA       TRP   6  -7.302   3.140  -1.478
   46    HB2  TRP   6           2HB      TRP   6  -4.445   3.497  -1.633
   47    HB3  TRP   6           3HB      TRP   6  -5.061   4.192  -0.136
   48    HD1  TRP   6           HD1      TRP   6  -4.268   0.907  -1.769
   49    HE1  TRP   6           HE1      TRP   6  -4.803  -1.019  -0.148
   50    HE3  TRP   6           HE3      TRP   6  -6.821   3.534   1.797
   51    HZ2  TRP   6           HZ2      TRP   6  -6.132  -1.377   2.317
   52    HZ3  TRP   6           HZ3      TRP   6  -7.691   2.325   3.755
   53    HH2  TRP   6           HH2      TRP   6  -7.354  -0.079   4.008
   54    H    GLY   7           H        GLY   7  -5.227   6.027  -1.257
   55    HA2  GLY   7           2HA      GLY   7  -7.413   7.394   0.139
   56    HA3  GLY   7           3HA      GLY   7  -5.723   7.875   0.148
   57    H    GLY   8           H        GLY   8  -6.267   7.172  -2.968
   58    HA2  GLY   8           2HA      GLY   8  -7.770   8.717  -4.393
   59    HA3  GLY   8           3HA      GLY   8  -6.862   9.987  -3.587
   60    H    ALA   9           H        ALA   9  -6.786   7.481  -5.991
   61    HA   ALA   9           HA       ALA   9  -4.126   7.300  -6.643
   62    HB1  ALA   9           1HB      ALA   9  -5.767   5.936  -7.743
   63    HB2  ALA   9           2HB      ALA   9  -6.500   7.351  -8.498
   64    HB3  ALA   9           3HB      ALA   9  -4.877   6.845  -8.965
   65    H    TYR  10           H        TYR  10  -2.621   8.609  -7.475
   66    HA   TYR  10           HA       TYR  10  -3.474  11.092  -8.794
   67    HB2  TYR  10           2HB      TYR  10  -1.171  11.844  -7.486
   68    HB3  TYR  10           3HB      TYR  10  -2.810  12.230  -6.972
   69    HD1  TYR  10           HD1      TYR  10  -1.069   8.945  -6.835
   70    HD2  TYR  10           HD2      TYR  10  -2.655  12.226  -4.637
   71    HE1  TYR  10           HE1      TYR  10  -0.695   7.714  -4.739
   72    HE2  TYR  10           HE2      TYR  10  -2.284  11.004  -2.535
   73    HH   TYR  10           HH       TYR  10  -1.770   9.007  -1.632
   74    H    CYS  11           H        CYS  11  -2.257   8.393  -9.547
   75    HA   CYS  11           HA       CYS  11  -0.049   9.505 -11.142
   76    HB2  CYS  11           2HB      CYS  11  -0.131   6.934  -9.585
   77    HB3  CYS  11           3HB      CYS  11   0.924   7.110 -10.981
   78    HG   CYS  11           HG       CYS  11   1.060   8.865  -8.054
   79    H    PHE  12           H        PHE  12  -0.885   6.157 -11.310
   80    HA   PHE  12           HA       PHE  12  -1.270   6.065 -14.031
   81    HB2  PHE  12           2HB      PHE  12  -2.205   3.883 -13.729
   82    HB3  PHE  12           3HB      PHE  12  -0.990   4.104 -12.475
   83    HD1  PHE  12           HD1      PHE  12  -2.431   5.698 -10.493
   84    HD2  PHE  12           HD2      PHE  12  -3.748   2.405 -12.846
   85    HE1  PHE  12           HE1      PHE  12  -4.103   5.144  -8.775
   86    HE2  PHE  12           HE2      PHE  12  -5.422   1.846 -11.133
   87    HZ   PHE  12           HZ       PHE  12  -5.602   3.216  -9.094
   88    H    CYS  13           H        CYS  13  -3.366   7.341 -11.669
   89    HA   CYS  13           HA       CYS  13  -5.650   7.270 -13.517
   90    HB2  CYS  13           2HB      CYS  13  -5.435   7.603 -10.539
   91    HB3  CYS  13           3HB      CYS  13  -6.872   8.144 -11.397
   92    HG   CYS  13           HG       CYS  13  -7.030   5.515 -10.098
   93    H    ASP  14           H        ASP  14  -3.233   9.295 -12.259
   94    HA   ASP  14           HA       ASP  14  -4.657  11.664 -13.279
   95    HB2  ASP  14           2HB      ASP  14  -3.396  11.215 -10.694
   96    HB3  ASP  14           3HB      ASP  14  -2.737  12.629 -11.513
   97    H    ALA  15           H        ALA  15  -1.414  10.384 -12.546
   98    HA   ALA  15           HA       ALA  15   0.209  12.091 -13.869
   99    HB1  ALA  15           1HB      ALA  15   1.182   9.586 -14.641
  100    HB2  ALA  15           2HB      ALA  15   1.632  10.518 -13.213
  101    HB3  ALA  15           3HB      ALA  15   0.342   9.320 -13.113
  102    H    GLU  16           H        GLU  16  -1.581   9.420 -15.393
  103    HA   GLU  16           HA       GLU  16  -0.811  10.381 -18.035
  104    HB2  GLU  16           2HB      GLU  16  -0.996   7.884 -17.194
  105    HB3  GLU  16           3HB      GLU  16  -2.688   8.093 -17.625
  106    HG2  GLU  16           2HG      GLU  16  -1.573   9.027 -19.859
  107    HG3  GLU  16           3HG      GLU  16  -0.294   7.927 -19.347
  108    H    ASN  17           H        ASN  17  -3.472  10.491 -15.848
  109    HA   ASN  17           HA       ASN  17  -5.281  11.432 -17.958
  110    HB2  ASN  17           2HB      ASN  17  -5.758   9.692 -15.914
  111    HB3  ASN  17           3HB      ASN  17  -6.313  11.205 -15.204
  112   HD21  ASN  17          1HD2      ASN  17  -7.166   8.610 -17.077
  113   HD22  ASN  17          2HD2      ASN  17  -8.593   9.255 -17.808
  114    H    THR  18           H        THR  18  -3.187  13.137 -17.285
  115    HA   THR  18           HA       THR  18  -3.768  15.032 -15.302
  116    HB   THR  18           HB       THR  18  -1.573  14.860 -16.438
  117    HG1  THR  18           HG1      THR  18  -2.242  16.817 -15.346
  118   HG21  THR  18          3HG2      THR  18  -1.237  15.265 -18.639
  119   HG22  THR  18          1HG2      THR  18  -2.453  16.541 -18.698
  120   HG23  THR  18          2HG2      THR  18  -2.946  14.849 -18.765
  Start of MODEL    9
    1    H1   VAL   1           H        VAL   1   1.932  -0.282   0.801
    2    HA   VAL   1           HA       VAL   1   3.194   0.901  -1.035
    3    HB   VAL   1           HB       VAL   1   3.467  -1.523  -0.777
    4   HG11  VAL   1          1HG1      VAL   1   1.081  -2.121  -0.973
    5   HG12  VAL   1          2HG1      VAL   1   1.158  -1.774  -2.702
    6   HG13  VAL   1          3HG1      VAL   1   2.113  -3.092  -2.023
    7   HG21  VAL   1          3HG2      VAL   1   4.537  -0.302  -2.654
    8   HG22  VAL   1          1HG2      VAL   1   4.231  -2.002  -3.009
    9   HG23  VAL   1          2HG2      VAL   1   3.177  -0.758  -3.680
   10    H    TYR   2           H        TYR   2  -0.171   0.471  -1.340
   11    HA   TYR   2           HA       TYR   2  -0.106   1.677  -4.029
   12    HB2  TYR   2           2HB      TYR   2  -1.084  -0.729  -3.683
   13    HB3  TYR   2           3HB      TYR   2  -2.478   0.133  -3.041
   14    HD1  TYR   2           HD2      TYR   2  -0.475  -0.534  -6.044
   15    HD2  TYR   2           HD1      TYR   2  -3.917   1.426  -4.488
   16    HE1  TYR   2           HE2      TYR   2  -1.304  -0.184  -8.333
   17    HE2  TYR   2           HE1      TYR   2  -4.755   1.780  -6.773
   18    HH   TYR   2           HH       TYR   2  -3.163   0.357  -9.555
   19    HA   PRO   3           HA       PRO   3  -2.150   4.546  -0.936
   20    HB2  PRO   3           2HB      PRO   3  -0.580   6.693  -1.481
   21    HB3  PRO   3           3HB      PRO   3  -0.162   5.482  -0.264
   22    HG2  PRO   3           2HG      PRO   3   0.814   5.752  -3.082
   23    HG3  PRO   3           3HG      PRO   3   1.731   5.374  -1.612
   24    HD2  PRO   3           2HD      PRO   3   0.961   3.472  -3.379
   25    HD3  PRO   3           3HD      PRO   3   1.098   3.157  -1.638
   26    H    PHE   4           H        PHE   4  -1.914   4.094  -4.185
   27    HA   PHE   4           HA       PHE   4  -2.815   6.560  -5.238
   28    HB2  PHE   4           2HB      PHE   4  -3.299   3.810  -6.395
   29    HB3  PHE   4           3HB      PHE   4  -3.280   5.340  -7.264
   30    HD1  PHE   4           HD2      PHE   4  -1.195   2.869  -5.503
   31    HD2  PHE   4           HD1      PHE   4  -1.250   6.317  -7.998
   32    HE1  PHE   4           HE2      PHE   4   1.206   2.575  -5.955
   33    HE2  PHE   4           HE1      PHE   4   1.150   6.028  -8.455
   34    HZ   PHE   4           HZ       PHE   4   2.382   4.156  -7.433
   35    H    MET   5           H        MET   5  -4.927   4.163  -6.290
   36    HA   MET   5           HA       MET   5  -7.268   5.452  -5.891
   37    HB2  MET   5           2HB      MET   5  -6.491   2.713  -6.396
   38    HB3  MET   5           3HB      MET   5  -7.937   2.774  -5.398
   39    HG2  MET   5           2HG      MET   5  -8.847   4.415  -7.127
   40    HG3  MET   5           3HG      MET   5  -7.518   3.876  -8.151
   41    HE1  MET   5           3HE      MET   5 -10.832   3.301  -6.606
   42    HE2  MET   5           1HE      MET   5 -11.348   1.682  -7.081
   43    HE3  MET   5           2HE      MET   5 -10.219   1.890  -5.742
   44    H    TRP   6           H        TRP   6  -5.536   3.526  -3.514
   45    HA   TRP   6           HA       TRP   6  -7.323   3.100  -1.533
   46    HB2  TRP   6           2HB      TRP   6  -4.467   3.490  -1.669
   47    HB3  TRP   6           3HB      TRP   6  -5.105   4.175  -0.177
   48    HD1  TRP   6           HD1      TRP   6  -4.273   0.898  -1.815
   49    HE1  TRP   6           HE1      TRP   6  -4.791  -1.034  -0.195
   50    HE3  TRP   6           HE3      TRP   6  -6.849   3.499   1.753
   51    HZ2  TRP   6           HZ2      TRP   6  -6.117  -1.406   2.269
   52    HZ3  TRP   6           HZ3      TRP   6  -7.710   2.280   3.710
   53    HH2  TRP   6           HH2      TRP   6  -7.350  -0.122   3.960
   54    H    GLY   7           H        GLY   7  -5.274   6.002  -1.299
   55    HA2  GLY   7           2HA      GLY   7  -7.481   7.357   0.074
   56    HA3  GLY   7           3HA      GLY   7  -5.796   7.856   0.086
   57    H    GLY   8           H        GLY   8  -6.325   7.129  -3.029
   58    HA2  GLY   8           2HA      GLY   8  -7.836   8.646  -4.470
   59    HA3  GLY   8           3HA      GLY   8  -6.952   9.934  -3.665
   60    H    ALA   9           H        ALA   9  -6.827   7.425  -6.062
   61    HA   ALA   9           HA       ALA   9  -4.160   7.275  -6.694
   62    HB1  ALA   9           1HB      ALA   9  -5.775   5.888  -7.804
   63    HB2  ALA   9           2HB      ALA   9  -6.524   7.293  -8.564
   64    HB3  ALA   9           3HB      ALA   9  -4.891   6.808  -9.022
   65    H    TYR  10           H        TYR  10  -2.667   8.602  -7.518
   66    HA   TYR  10           HA       TYR  10  -3.541  11.071  -8.848
   67    HB2  TYR  10           2HB      TYR  10  -1.257  11.853  -7.525
   68    HB3  TYR  10           3HB      TYR  10  -2.904  12.222  -7.025
   69    HD1  TYR  10           HD1      TYR  10  -1.126   8.959  -6.864
   70    HD2  TYR  10           HD2      TYR  10  -2.771  12.226  -4.690
   71    HE1  TYR  10           HE1      TYR  10  -0.756   7.738  -4.761
   72    HE2  TYR  10           HE2      TYR  10  -2.404  11.014  -2.581
   73    HH   TYR  10           HH       TYR  10  -1.738   9.118  -1.639
   74    H    CYS  11           H        CYS  11  -2.284   8.386  -9.587
   75    HA   CYS  11           HA       CYS  11  -0.079   9.523 -11.168
   76    HB2  CYS  11           2HB      CYS  11  -0.141   6.954  -9.606
   77    HB3  CYS  11           3HB      CYS  11   0.923   7.141 -10.995
   78    HG   CYS  11           HG       CYS  11   2.433   9.176  -9.937
   79    H    PHE  12           H        PHE  12  -0.872   6.164 -11.335
   80    HA   PHE  12           HA       PHE  12  -1.235   6.062 -14.058
   81    HB2  PHE  12           2HB      PHE  12  -2.147   3.869 -13.759
   82    HB3  PHE  12           3HB      PHE  12  -0.943   4.107 -12.496
   83    HD1  PHE  12           HD1      PHE  12  -2.419   5.690 -10.529
   84    HD2  PHE  12           HD2      PHE  12  -3.675   2.372 -12.882
   85    HE1  PHE  12           HE1      PHE  12  -4.096   5.118  -8.822
   86    HE2  PHE  12           HE2      PHE  12  -5.354   1.796 -11.179
   87    HZ   PHE  12           HZ       PHE  12  -5.567   3.170  -9.146
   88    H    CYS  13           H        CYS  13  -3.365   7.317 -11.715
   89    HA   CYS  13           HA       CYS  13  -5.635   7.213 -13.579
   90    HB2  CYS  13           2HB      CYS  13  -5.445   7.556 -10.600
   91    HB3  CYS  13           3HB      CYS  13  -6.883   8.077 -11.470
   92    HG   CYS  13           HG       CYS  13  -8.012   5.781 -11.457
   93    H    ASP  14           H        ASP  14  -3.252   9.271 -12.307
   94    HA   ASP  14           HA       ASP  14  -4.698  11.620 -13.345
   95    HB2  ASP  14           2HB      ASP  14  -3.448  11.193 -10.750
   96    HB3  ASP  14           3HB      ASP  14  -2.805  12.614 -11.567
   97    H    ALA  15           H        ALA  15  -1.444  10.382 -12.583
   98    HA   ALA  15           HA       ALA  15   0.167  12.106 -13.899
   99    HB1  ALA  15           1HB      ALA  15   1.605  10.554 -13.227
  100    HB2  ALA  15           2HB      ALA  15   0.329   9.339 -13.135
  101    HB3  ALA  15           3HB      ALA  15   1.178   9.612 -14.656
  102    H    GLU  16           H        GLU  16  -1.583   9.412 -15.429
  103    HA   GLU  16           HA       GLU  16  -0.803  10.375 -18.067
  104    HB2  GLU  16           2HB      GLU  16  -0.964   7.878 -17.221
  105    HB3  GLU  16           3HB      GLU  16  -2.654   8.065 -17.666
  106    HG2  GLU  16           2HG      GLU  16  -1.957   8.714 -19.937
  107    HG3  GLU  16           3HG      GLU  16  -0.279   8.428 -19.477
  108    H    ASN  17           H        ASN  17  -3.481  10.458 -15.901
  109    HA   ASN  17           HA       ASN  17  -5.285  11.373 -18.026
  110    HB2  ASN  17           2HB      ASN  17  -5.757   9.628 -15.986
  111    HB3  ASN  17           3HB      ASN  17  -6.338  11.134 -15.281
  112   HD21  ASN  17          1HD2      ASN  17  -8.470  11.028 -15.396
  113   HD22  ASN  17          2HD2      ASN  17  -9.384  10.685 -16.822
  114    H    THR  18           H        THR  18  -3.221  13.106 -17.341
  115    HA   THR  18           HA       THR  18  -3.698  14.978 -15.363
  116    HB   THR  18           HB       THR  18  -2.388  16.557 -16.664
  117    HG1  THR  18           HG1      THR  18  -2.681  16.512 -18.755
  118   HG21  THR  18          3HG2      THR  18  -0.394  15.366 -16.718
  119   HG22  THR  18          1HG2      THR  18  -1.170  13.897 -17.309
  120   HG23  THR  18          2HG2      THR  18  -1.386  14.394 -15.631
  Start of MODEL   10
    1    H1   VAL   1           H        VAL   1   0.975   0.951   0.183
    2    HA   VAL   1           HA       VAL   1   3.281   0.921  -1.073
    3    HB   VAL   1           HB       VAL   1   3.538  -1.490  -0.785
    4   HG11  VAL   1          1HG1      VAL   1   1.121  -2.039  -0.863
    5   HG12  VAL   1          2HG1      VAL   1   1.157  -1.790  -2.610
    6   HG13  VAL   1          3HG1      VAL   1   2.109  -3.084  -1.883
    7   HG21  VAL   1          3HG2      VAL   1   4.175  -2.050  -3.046
    8   HG22  VAL   1          1HG2      VAL   1   3.123  -0.789  -3.689
    9   HG23  VAL   1          2HG2      VAL   1   4.544  -0.353  -2.739
   10    H    TYR   2           H        TYR   2  -0.101   0.494  -1.332
   11    HA   TYR   2           HA       TYR   2  -0.060   1.691  -4.026
   12    HB2  TYR   2           2HB      TYR   2  -1.027  -0.717  -3.663
   13    HB3  TYR   2           3HB      TYR   2  -2.420   0.143  -3.015
   14    HD1  TYR   2           HD2      TYR   2  -0.437  -0.531  -6.029
   15    HD2  TYR   2           HD1      TYR   2  -3.872   1.427  -4.456
   16    HE1  TYR   2           HE2      TYR   2  -1.283  -0.193  -8.314
   17    HE2  TYR   2           HE1      TYR   2  -4.728   1.769  -6.736
   18    HH   TYR   2           HH       TYR   2  -3.119   0.368  -9.533
   19    HA   PRO   3           HA       PRO   3  -2.092   4.563  -0.927
   20    HB2  PRO   3           2HB      PRO   3  -0.533   6.714  -1.489
   21    HB3  PRO   3           3HB      PRO   3  -0.103   5.507  -0.271
   22    HG2  PRO   3           2HG      PRO   3   0.853   5.773  -3.095
   23    HG3  PRO   3           3HG      PRO   3   1.781   5.401  -1.630
   24    HD2  PRO   3           2HD      PRO   3   1.006   3.492  -3.387
   25    HD3  PRO   3           3HD      PRO   3   1.156   3.183  -1.646
   26    H    PHE   4           H        PHE   4  -1.878   4.101  -4.175
   27    HA   PHE   4           HA       PHE   4  -2.792   6.561  -5.232
   28    HB2  PHE   4           2HB      PHE   4  -3.280   3.805  -6.374
   29    HB3  PHE   4           3HB      PHE   4  -3.269   5.332  -7.249
   30    HD1  PHE   4           HD2      PHE   4  -1.169   2.869  -5.493
   31    HD2  PHE   4           HD1      PHE   4  -1.245   6.308  -8.000
   32    HE1  PHE   4           HE2      PHE   4   1.228   2.576  -5.962
   33    HE2  PHE   4           HE1      PHE   4   1.152   6.020  -8.474
   34    HZ   PHE   4           HZ       PHE   4   2.392   4.153  -7.453
   35    H    MET   5           H        MET   5  -4.909   4.160  -6.262
   36    HA   MET   5           HA       MET   5  -7.248   5.447  -5.848
   37    HB2  MET   5           2HB      MET   5  -6.471   2.708  -6.351
   38    HB3  MET   5           3HB      MET   5  -7.911   2.769  -5.343
   39    HG2  MET   5           2HG      MET   5  -8.397   4.641  -7.321
   40    HG3  MET   5           3HG      MET   5  -7.595   3.317  -8.164
   41    HE1  MET   5           3HE      MET   5 -10.338   3.900  -9.208
   42    HE2  MET   5           1HE      MET   5 -11.743   3.301  -8.326
   43    HE3  MET   5           2HE      MET   5 -10.849   4.693  -7.717
   44    H    TRP   6           H        TRP   6  -5.496   3.529  -3.478
   45    HA   TRP   6           HA       TRP   6  -7.267   3.104  -1.483
   46    HB2  TRP   6           2HB      TRP   6  -4.414   3.497  -1.642
   47    HB3  TRP   6           3HB      TRP   6  -5.039   4.191  -0.149
   48    HD1  TRP   6           HD1      TRP   6  -4.205   0.908  -1.767
   49    HE1  TRP   6           HE1      TRP   6  -4.714  -1.016  -0.134
   50    HE3  TRP   6           HE3      TRP   6  -6.786   3.521   1.789
   51    HZ2  TRP   6           HZ2      TRP   6  -6.035  -1.378   2.334
   52    HZ3  TRP   6           HZ3      TRP   6  -7.639   2.312   3.755
   53    HH2  TRP   6           HH2      TRP   6  -7.271  -0.087   4.019
   54    H    GLY   7           H        GLY   7  -5.224   6.014  -1.278
   55    HA2  GLY   7           2HA      GLY   7  -7.425   7.367   0.108
   56    HA3  GLY   7           3HA      GLY   7  -5.741   7.869   0.108
   57    H    GLY   8           H        GLY   8  -6.284   7.135  -3.001
   58    HA2  GLY   8           2HA      GLY   8  -7.810   8.646  -4.436
   59    HA3  GLY   8           3HA      GLY   8  -6.919   9.936  -3.641
   60    H    ALA   9           H        ALA   9  -6.811   7.417  -6.028
   61    HA   ALA   9           HA       ALA   9  -4.149   7.267  -6.681
   62    HB1  ALA   9           1HB      ALA   9  -6.526   7.278  -8.535
   63    HB2  ALA   9           2HB      ALA   9  -4.896   6.788  -8.999
   64    HB3  ALA   9           3HB      ALA   9  -5.775   5.876  -7.772
   65    H    TYR  10           H        TYR  10  -2.663   8.592  -7.522
   66    HA   TYR  10           HA       TYR  10  -3.550  11.054  -8.856
   67    HB2  TYR  10           2HB      TYR  10  -1.256  11.845  -7.552
   68    HB3  TYR  10           3HB      TYR  10  -2.900  12.215  -7.043
   69    HD1  TYR  10           HD1      TYR  10  -1.119   8.954  -6.879
   70    HD2  TYR  10           HD2      TYR  10  -2.752  12.229  -4.709
   71    HE1  TYR  10           HE1      TYR  10  -0.734   7.743  -4.773
   72    HE2  TYR  10           HE2      TYR  10  -2.371  11.027  -2.597
   73    HH   TYR  10           HH       TYR  10  -1.389   9.249  -1.641
   74    H    CYS  11           H        CYS  11  -2.295   8.368  -9.592
   75    HA   CYS  11           HA       CYS  11  -0.103   9.500 -11.194
   76    HB2  CYS  11           2HB      CYS  11  -0.150   6.938  -9.620
   77    HB3  CYS  11           3HB      CYS  11   0.903   7.120 -11.018
   78    HG   CYS  11           HG       CYS  11   1.032   9.455  -8.555
   79    H    PHE  12           H        PHE  12  -0.893   6.140 -11.340
   80    HA   PHE  12           HA       PHE  12  -1.276   6.025 -14.060
   81    HB2  PHE  12           2HB      PHE  12  -2.181   3.832 -13.744
   82    HB3  PHE  12           3HB      PHE  12  -0.969   4.078 -12.491
   83    HD1  PHE  12           HD1      PHE  12  -2.433   5.666 -10.521
   84    HD2  PHE  12           HD2      PHE  12  -3.701   2.337 -12.850
   85    HE1  PHE  12           HE1      PHE  12  -4.097   5.100  -8.799
   86    HE2  PHE  12           HE2      PHE  12  -5.367   1.766 -11.132
   87    HZ   PHE  12           HZ       PHE  12  -5.568   3.148  -9.104
   88    H    CYS  13           H        CYS  13  -3.390   7.287 -11.707
   89    HA   CYS  13           HA       CYS  13  -5.673   7.172 -13.554
   90    HB2  CYS  13           2HB      CYS  13  -5.462   7.528 -10.578
   91    HB3  CYS  13           3HB      CYS  13  -6.907   8.044 -11.439
   92    HG   CYS  13           HG       CYS  13  -6.771   5.324 -10.107
   93    H    ASP  14           H        ASP  14  -3.284   9.239 -12.309
   94    HA   ASP  14           HA       ASP  14  -4.741  11.581 -13.346
   95    HB2  ASP  14           2HB      ASP  14  -3.469  11.168 -10.759
   96    HB3  ASP  14           3HB      ASP  14  -2.839  12.589 -11.588
   97    H    ALA  15           H        ALA  15  -1.480  10.351 -12.603
   98    HA   ALA  15           HA       ALA  15   0.119  12.072 -13.938
   99    HB1  ALA  15           1HB      ALA  15   1.564  10.524 -13.270
  100    HB2  ALA  15           2HB      ALA  15   0.291   9.308 -13.163
  101    HB3  ALA  15           3HB      ALA  15   1.128   9.576 -14.692
  102    H    GLU  16           H        GLU  16  -1.634   9.366 -15.444
  103    HA   GLU  16           HA       GLU  16  -0.876  10.318 -18.092
  104    HB2  GLU  16           2HB      GLU  16  -1.028   7.825 -17.234
  105    HB3  GLU  16           3HB      GLU  16  -2.723   8.009 -17.665
  106    HG2  GLU  16           2HG      GLU  16  -1.167   9.003 -19.814
  107    HG3  GLU  16           3HG      GLU  16  -0.515   7.434 -19.344
  108    H    ASN  17           H        ASN  17  -3.539  10.408 -15.907
  109    HA   ASN  17           HA       ASN  17  -5.360  11.309 -18.023
  110    HB2  ASN  17           2HB      ASN  17  -5.817   9.579 -15.971
  111    HB3  ASN  17           3HB      ASN  17  -6.385  11.089 -15.265
  112   HD21  ASN  17          1HD2      ASN  17  -7.573   8.502 -16.531
  113   HD22  ASN  17          2HD2      ASN  17  -8.871   9.121 -17.490
  114    H    THR  18           H        THR  18  -3.294  13.051 -17.377
  115    HA   THR  18           HA       THR  18  -4.712  15.182 -15.913
  116    HB   THR  18           HB       THR  18  -2.696  14.495 -14.713
  117    HG1  THR  18           HG1      THR  18  -2.019  16.542 -14.391
  118   HG21  THR  18          3HG2      THR  18  -0.741  14.036 -15.700
  119   HG22  THR  18          1HG2      THR  18  -0.763  15.542 -16.616
  120   HG23  THR  18          2HG2      THR  18  -1.609  14.122 -17.232
  Start of MODEL   11
    1    H1   VAL   1           H        VAL   1   2.042  -0.211   0.807
    2    HA   VAL   1           HA       VAL   1   3.273   0.894  -1.088
    3    HB   VAL   1           HB       VAL   1   3.520  -1.521  -0.801
    4   HG11  VAL   1          1HG1      VAL   1   1.265  -1.941  -2.734
    5   HG12  VAL   1          2HG1      VAL   1   2.065  -3.119  -1.692
    6   HG13  VAL   1          3HG1      VAL   1   0.992  -1.906  -0.993
    7   HG21  VAL   1          3HG2      VAL   1   4.163  -2.074  -3.059
    8   HG22  VAL   1          1HG2      VAL   1   3.108  -0.816  -3.704
    9   HG23  VAL   1          2HG2      VAL   1   4.527  -0.375  -2.753
   10    H    TYR   2           H        TYR   2  -0.111   0.495  -1.316
   11    HA   TYR   2           HA       TYR   2  -0.087   1.678  -4.016
   12    HB2  TYR   2           2HB      TYR   2  -1.073  -0.718  -3.632
   13    HB3  TYR   2           3HB      TYR   2  -2.450   0.157  -2.971
   14    HD1  TYR   2           HD2      TYR   2  -0.509  -0.548  -6.005
   15    HD2  TYR   2           HD1      TYR   2  -3.906   1.450  -4.401
   16    HE1  TYR   2           HE2      TYR   2  -1.378  -0.210  -8.281
   17    HE2  TYR   2           HE1      TYR   2  -4.785   1.792  -6.673
   18    HH   TYR   2           HH       TYR   2  -3.637   0.161  -9.352
   19    HA   PRO   3           HA       PRO   3  -2.056   4.585  -0.909
   20    HB2  PRO   3           2HB      PRO   3  -0.482   6.717  -1.497
   21    HB3  PRO   3           3HB      PRO   3  -0.051   5.511  -0.279
   22    HG2  PRO   3           2HG      PRO   3   0.878   5.755  -3.114
   23    HG3  PRO   3           3HG      PRO   3   1.817   5.380  -1.657
   24    HD2  PRO   3           2HD      PRO   3   1.004   3.471  -3.397
   25    HD3  PRO   3           3HD      PRO   3   1.170   3.168  -1.655
   26    H    PHE   4           H        PHE   4  -1.877   4.108  -4.158
   27    HA   PHE   4           HA       PHE   4  -2.779   6.571  -5.216
   28    HB2  PHE   4           2HB      PHE   4  -3.309   3.815  -6.339
   29    HB3  PHE   4           3HB      PHE   4  -3.291   5.338  -7.223
   30    HD1  PHE   4           HD2      PHE   4  -1.198   2.862  -5.477
   31    HD2  PHE   4           HD1      PHE   4  -1.265   6.289  -8.000
   32    HE1  PHE   4           HE2      PHE   4   1.191   2.541  -5.970
   33    HE2  PHE   4           HE1      PHE   4   1.124   5.974  -8.498
   34    HZ   PHE   4           HZ       PHE   4   2.356   4.099  -7.481
   35    H    MET   5           H        MET   5  -4.931   4.185  -6.210
   36    HA   MET   5           HA       MET   5  -7.253   5.499  -5.778
   37    HB2  MET   5           2HB      MET   5  -6.510   2.750  -6.276
   38    HB3  MET   5           3HB      MET   5  -7.937   2.831  -5.252
   39    HG2  MET   5           2HG      MET   5  -7.875   4.564  -7.652
   40    HG3  MET   5           3HG      MET   5  -8.074   2.830  -7.897
   41    HE1  MET   5           3HE      MET   5 -11.621   2.373  -7.731
   42    HE2  MET   5           1HE      MET   5 -10.856   3.384  -8.957
   43    HE3  MET   5           2HE      MET   5 -10.010   1.970  -8.328
   44    H    TRP   6           H        TRP   6  -5.495   3.576  -3.417
   45    HA   TRP   6           HA       TRP   6  -7.249   3.181  -1.402
   46    HB2  TRP   6           2HB      TRP   6  -4.393   3.542  -1.593
   47    HB3  TRP   6           3HB      TRP   6  -4.995   4.249  -0.096
   48    HD1  TRP   6           HD1      TRP   6  -4.218   0.949  -1.712
   49    HE1  TRP   6           HE1      TRP   6  -4.728  -0.962  -0.065
   50    HE3  TRP   6           HE3      TRP   6  -6.722   3.607   1.867
   51    HZ2  TRP   6           HZ2      TRP   6  -6.021  -1.299   2.421
   52    HZ3  TRP   6           HZ3      TRP   6  -7.564   2.415   3.848
   53    HH2  TRP   6           HH2      TRP   6  -7.220   0.012   4.117
   54    H    GLY   7           H        GLY   7  -5.172   6.069  -1.233
   55    HA2  GLY   7           2HA      GLY   7  -7.342   7.453   0.170
   56    HA3  GLY   7           3HA      GLY   7  -5.653   7.937   0.149
   57    H    GLY   8           H        GLY   8  -6.246   7.190  -2.950
   58    HA2  GLY   8           2HA      GLY   8  -7.768   8.710  -4.377
   59    HA3  GLY   8           3HA      GLY   8  -6.857   9.995  -3.597
   60    H    ALA   9           H        ALA   9  -6.798   7.464  -5.974
   61    HA   ALA   9           HA       ALA   9  -4.145   7.284  -6.654
   62    HB1  ALA   9           1HB      ALA   9  -6.541   7.311  -8.482
   63    HB2  ALA   9           2HB      ALA   9  -4.921   6.803  -8.963
   64    HB3  ALA   9           3HB      ALA   9  -5.795   5.905  -7.722
   65    H    TYR  10           H        TYR  10  -2.655   8.590  -7.515
   66    HA   TYR  10           HA       TYR  10  -3.530  11.056  -8.851
   67    HB2  TYR  10           2HB      TYR  10  -1.214  11.827  -7.574
   68    HB3  TYR  10           3HB      TYR  10  -2.848  12.218  -7.051
   69    HD1  TYR  10           HD1      TYR  10  -1.100   8.939  -6.889
   70    HD2  TYR  10           HD2      TYR  10  -2.680  12.240  -4.718
   71    HE1  TYR  10           HE1      TYR  10  -0.708   7.733  -4.781
   72    HE2  TYR  10           HE2      TYR  10  -2.291  11.044  -2.605
   73    HH   TYR  10           HH       TYR  10  -1.811   9.021  -1.696
   74    H    CYS  11           H        CYS  11  -2.310   8.353  -9.587
   75    HA   CYS  11           HA       CYS  11  -0.124   9.456 -11.218
   76    HB2  CYS  11           2HB      CYS  11  -0.180   6.901  -9.633
   77    HB3  CYS  11           3HB      CYS  11   0.859   7.067 -11.042
   78    HG   CYS  11           HG       CYS  11   1.118   9.553  -8.801
   79    H    PHE  12           H        PHE  12  -0.950   6.104 -11.341
   80    HA   PHE  12           HA       PHE  12  -1.363   5.981 -14.057
   81    HB2  PHE  12           2HB      PHE  12  -2.288   3.799 -13.722
   82    HB3  PHE  12           3HB      PHE  12  -1.060   4.038 -12.483
   83    HD1  PHE  12           HD1      PHE  12  -2.486   5.650 -10.504
   84    HD2  PHE  12           HD2      PHE  12  -3.814   2.325 -12.805
   85    HE1  PHE  12           HE1      PHE  12  -4.137   5.109  -8.762
   86    HE2  PHE  12           HE2      PHE  12  -5.468   1.779 -11.067
   87    HZ   PHE  12           HZ       PHE  12  -5.632   3.171  -9.043
   88    H    CYS  13           H        CYS  13  -3.438   7.276 -11.687
   89    HA   CYS  13           HA       CYS  13  -5.742   7.177 -13.510
   90    HB2  CYS  13           2HB      CYS  13  -5.496   7.543 -10.538
   91    HB3  CYS  13           3HB      CYS  13  -6.944   8.070 -11.386
   92    HG   CYS  13           HG       CYS  13  -7.794   5.622 -12.158
   93    H    ASP  14           H        ASP  14  -3.319   9.223 -12.299
   94    HA   ASP  14           HA       ASP  14  -4.761  11.576 -13.331
   95    HB2  ASP  14           2HB      ASP  14  -3.470  11.161 -10.755
   96    HB3  ASP  14           3HB      ASP  14  -2.829  12.570 -11.596
   97    H    ALA  15           H        ALA  15  -1.506  10.316 -12.616
   98    HA   ALA  15           HA       ALA  15   0.097  12.013 -13.974
   99    HB1  ALA  15           1HB      ALA  15   1.531  10.453 -13.312
  100    HB2  ALA  15           2HB      ALA  15   0.247   9.249 -13.192
  101    HB3  ALA  15           3HB      ALA  15   1.074   9.506 -14.728
  102    H    GLU  16           H        GLU  16  -1.698   9.319 -15.451
  103    HA   GLU  16           HA       GLU  16  -0.958  10.252 -18.110
  104    HB2  GLU  16           2HB      GLU  16  -1.127   7.765 -17.241
  105    HB3  GLU  16           3HB      GLU  16  -2.824   7.965 -17.655
  106    HG2  GLU  16           2HG      GLU  16  -2.426   7.797 -19.837
  107    HG3  GLU  16           3HG      GLU  16  -1.032   8.873 -19.757
  108    H    ASN  17           H        ASN  17  -3.597  10.380 -15.900
  109    HA   ASN  17           HA       ASN  17  -5.431  11.291 -18.001
  110    HB2  ASN  17           2HB      ASN  17  -5.884   9.576 -15.935
  111    HB3  ASN  17           3HB      ASN  17  -6.427  11.096 -15.230
  112   HD21  ASN  17          1HD2      ASN  17  -6.683   9.303 -18.282
  113   HD22  ASN  17          2HD2      ASN  17  -8.363   9.627 -18.527
  114    H    THR  18           H        THR  18  -3.343  13.015 -17.393
  115    HA   THR  18           HA       THR  18  -4.018  14.953 -15.437
  116    HB   THR  18           HB       THR  18  -2.466  15.928 -17.737
  117    HG1  THR  18           HG1      THR  18  -1.111  14.311 -17.848
  118   HG21  THR  18          3HG2      THR  18  -1.233  16.977 -16.123
  119   HG22  THR  18          1HG2      THR  18  -1.373  15.636 -14.987
  120   HG23  THR  18          2HG2      THR  18  -2.729  16.740 -15.221
  Start of MODEL   12
    1    H1   VAL   1           H        VAL   1   1.673  -0.014   0.839
    2    HA   VAL   1           HA       VAL   1   2.881   0.747  -1.002
    3    HB   VAL   1           HB       VAL   1   3.158  -1.723  -0.840
    4   HG11  VAL   1          1HG1      VAL   1   2.006  -3.156  -2.450
    5   HG12  VAL   1          2HG1      VAL   1   0.861  -2.370  -1.361
    6   HG13  VAL   1          3HG1      VAL   1   1.063  -1.776  -3.010
    7   HG21  VAL   1          3HG2      VAL   1   4.614  -1.572  -2.521
    8   HG22  VAL   1          1HG2      VAL   1   3.323  -1.437  -3.716
    9   HG23  VAL   1          2HG2      VAL   1   3.906   0.003  -2.881
   10    H    TYR   2           H        TYR   2  -0.435   0.444  -1.347
   11    HA   TYR   2           HA       TYR   2  -0.334   1.607  -4.053
   12    HB2  TYR   2           2HB      TYR   2  -1.447  -0.732  -3.660
   13    HB3  TYR   2           3HB      TYR   2  -2.780   0.220  -3.015
   14    HD1  TYR   2           HD2      TYR   2  -0.853  -0.599  -6.031
   15    HD2  TYR   2           HD1      TYR   2  -4.161   1.569  -4.463
   16    HE1  TYR   2           HE2      TYR   2  -1.688  -0.232  -8.315
   17    HE2  TYR   2           HE1      TYR   2  -5.006   1.941  -6.743
   18    HH   TYR   2           HH       TYR   2  -3.156   0.940  -9.573
   19    HA   PRO   3           HA       PRO   3  -2.168   4.629  -0.972
   20    HB2  PRO   3           2HB      PRO   3  -0.476   6.671  -1.554
   21    HB3  PRO   3           3HB      PRO   3  -0.120   5.449  -0.327
   22    HG2  PRO   3           2HG      PRO   3   0.844   5.631  -3.156
   23    HG3  PRO   3           3HG      PRO   3   1.749   5.213  -1.690
   24    HD2  PRO   3           2HD      PRO   3   0.850   3.343  -3.429
   25    HD3  PRO   3           3HD      PRO   3   0.984   3.039  -1.685
   26    H    PHE   4           H        PHE   4  -1.995   4.125  -4.215
   27    HA   PHE   4           HA       PHE   4  -2.755   6.632  -5.288
   28    HB2  PHE   4           2HB      PHE   4  -3.414   3.905  -6.413
   29    HB3  PHE   4           3HB      PHE   4  -3.306   5.424  -7.298
   30    HD1  PHE   4           HD2      PHE   4  -1.366   2.845  -5.523
   31    HD2  PHE   4           HD1      PHE   4  -1.225   6.263  -8.056
   32    HE1  PHE   4           HE2      PHE   4   1.008   2.398  -5.988
   33    HE2  PHE   4           HE1      PHE   4   1.150   5.820  -8.526
   34    HZ   PHE   4           HZ       PHE   4   2.270   3.887  -7.490
   35    H    MET   5           H        MET   5  -5.015   4.354  -6.297
   36    HA   MET   5           HA       MET   5  -7.272   5.783  -5.894
   37    HB2  MET   5           2HB      MET   5  -6.662   2.998  -6.374
   38    HB3  MET   5           3HB      MET   5  -8.093   3.155  -5.364
   39    HG2  MET   5           2HG      MET   5  -9.302   4.215  -6.999
   40    HG3  MET   5           3HG      MET   5  -7.865   4.818  -7.821
   41    HE1  MET   5           3HE      MET   5 -10.040   0.998  -7.846
   42    HE2  MET   5           1HE      MET   5  -8.426   0.477  -7.361
   43    HE3  MET   5           2HE      MET   5  -9.267   1.719  -6.434
   44    H    TRP   6           H        TRP   6  -5.637   3.783  -3.508
   45    HA   TRP   6           HA       TRP   6  -7.425   3.484  -1.508
   46    HB2  TRP   6           2HB      TRP   6  -4.555   3.704  -1.673
   47    HB3  TRP   6           3HB      TRP   6  -5.135   4.451  -0.186
   48    HD1  TRP   6           HD1      TRP   6  -4.504   1.105  -1.770
   49    HE1  TRP   6           HE1      TRP   6  -5.124  -0.766  -0.116
   50    HE3  TRP   6           HE3      TRP   6  -6.913   3.908   1.762
   51    HZ2  TRP   6           HZ2      TRP   6  -6.458  -1.021   2.359
   52    HZ3  TRP   6           HZ3      TRP   6  -7.833   2.774   3.742
   53    HH2  TRP   6           HH2      TRP   6  -7.609   0.360   4.032
   54    H    GLY   7           H        GLY   7  -5.216   6.272  -1.336
   55    HA2  GLY   7           2HA      GLY   7  -7.333   7.765   0.038
   56    HA3  GLY   7           3HA      GLY   7  -5.622   8.165   0.038
   57    H    GLY   8           H        GLY   8  -6.210   7.435  -3.066
   58    HA2  GLY   8           2HA      GLY   8  -7.637   9.024  -4.517
   59    HA3  GLY   8           3HA      GLY   8  -6.672  10.265  -3.731
   60    H    ALA   9           H        ALA   9  -6.712   7.725  -6.098
   61    HA   ALA   9           HA       ALA   9  -4.062   7.410  -6.744
   62    HB1  ALA   9           1HB      ALA   9  -5.762   6.107  -7.827
   63    HB2  ALA   9           2HB      ALA   9  -6.433   7.544  -8.600
   64    HB3  ALA   9           3HB      ALA   9  -4.834   6.959  -9.062
   65    H    TYR  10           H        TYR  10  -2.498   8.637  -7.591
   66    HA   TYR  10           HA       TYR  10  -3.234  11.136  -8.949
   67    HB2  TYR  10           2HB      TYR  10  -0.902  11.803  -7.648
   68    HB3  TYR  10           3HB      TYR  10  -2.522  12.267  -7.140
   69    HD1  TYR  10           HD1      TYR  10  -0.932   8.910  -6.957
   70    HD2  TYR  10           HD2      TYR  10  -2.362  12.290  -4.805
   71    HE1  TYR  10           HE1      TYR  10  -0.613   7.692  -4.844
   72    HE2  TYR  10           HE2      TYR  10  -2.045  11.083  -2.686
   73    HH   TYR  10           HH       TYR  10  -1.536   9.132  -1.737
   74    H    CYS  11           H        CYS  11  -2.143   8.373  -9.661
   75    HA   CYS  11           HA       CYS  11   0.118   9.359 -11.265
   76    HB2  CYS  11           2HB      CYS  11  -0.089   6.815  -9.675
   77    HB3  CYS  11           3HB      CYS  11   0.978   6.924 -11.070
   78    HG   CYS  11           HG       CYS  11   1.332   9.404  -8.835
   79    H    PHE  12           H        PHE  12  -0.869   6.051 -11.393
   80    HA   PHE  12           HA       PHE  12  -1.254   5.941 -14.113
   81    HB2  PHE  12           2HB      PHE  12  -2.294   3.810 -13.784
   82    HB3  PHE  12           3HB      PHE  12  -1.069   3.989 -12.531
   83    HD1  PHE  12           HD1      PHE  12  -2.439   5.681 -10.576
   84    HD2  PHE  12           HD2      PHE  12  -3.899   2.414 -12.879
   85    HE1  PHE  12           HE1      PHE  12  -4.135   5.229  -8.852
   86    HE2  PHE  12           HE2      PHE  12  -5.599   1.957 -11.160
   87    HZ   PHE  12           HZ       PHE  12  -5.719   3.366  -9.143
   88    H    CYS  13           H        CYS  13  -3.298   7.336 -11.769
   89    HA   CYS  13           HA       CYS  13  -5.579   7.349 -13.622
   90    HB2  CYS  13           2HB      CYS  13  -5.351   7.716 -10.649
   91    HB3  CYS  13           3HB      CYS  13  -6.760   8.311 -11.517
   92    HG   CYS  13           HG       CYS  13  -6.906   5.651 -10.163
   93    H    ASP  14           H        ASP  14  -3.073   9.279 -12.384
   94    HA   ASP  14           HA       ASP  14  -4.384  11.696 -13.445
   95    HB2  ASP  14           2HB      ASP  14  -3.141  11.228 -10.853
   96    HB3  ASP  14           3HB      ASP  14  -2.426  12.601 -11.692
   97    H    ALA  15           H        ALA  15  -1.198  10.294 -12.677
   98    HA   ALA  15           HA       ALA  15   0.512  11.888 -14.009
   99    HB1  ALA  15           1HB      ALA  15   1.856  10.238 -13.383
  100    HB2  ALA  15           2HB      ALA  15   0.494   9.125 -13.241
  101    HB3  ALA  15           3HB      ALA  15   1.318   9.317 -14.788
  102    H    GLU  16           H        GLU  16  -1.550   9.430 -15.520
  103    HA   GLU  16           HA       GLU  16  -0.784  10.481 -18.158
  104    HB2  GLU  16           2HB      GLU  16  -0.664   7.940 -17.446
  105    HB3  GLU  16           3HB      GLU  16  -2.378   7.976 -17.833
  106    HG2  GLU  16           2HG      GLU  16  -0.468   9.088 -19.814
  107    HG3  GLU  16           3HG      GLU  16  -0.563   7.337 -19.627
  108    H    ASN  17           H        ASN  17  -3.378  10.186 -15.914
  109    HA   ASN  17           HA       ASN  17  -5.236  11.293 -17.916
  110    HB2  ASN  17           2HB      ASN  17  -5.649   9.310 -15.717
  111    HB3  ASN  17           3HB      ASN  17  -6.980  10.378 -16.153
  112   HD21  ASN  17          1HD2      ASN  17  -7.723   8.020 -16.552
  113   HD22  ASN  17          2HD2      ASN  17  -7.566   7.474 -18.183
  114    H    THR  18           H        THR  18  -3.841  13.219 -16.991
  115    HA   THR  18           HA       THR  18  -4.591  14.240 -14.435
  116    HB   THR  18           HB       THR  18  -3.650  16.189 -16.436
  117    HG1  THR  18           HG1      THR  18  -2.397  14.593 -17.241
  118   HG21  THR  18          3HG2      THR  18  -3.491  16.978 -14.274
  119   HG22  THR  18          1HG2      THR  18  -1.864  16.345 -14.521
  120   HG23  THR  18          2HG2      THR  18  -3.050  15.402 -13.618
  Start of MODEL   13
    1    H1   VAL   1           H        VAL   1   1.679  -0.563   0.673
    2    HA   VAL   1           HA       VAL   1   3.206   0.842  -1.036
    3    HB   VAL   1           HB       VAL   1   3.437  -1.579  -0.741
    4   HG11  VAL   1          1HG1      VAL   1   1.015  -1.758  -2.531
    5   HG12  VAL   1          2HG1      VAL   1   2.022  -3.121  -2.038
    6   HG13  VAL   1          3HG1      VAL   1   1.101  -2.222  -0.832
    7   HG21  VAL   1          3HG2      VAL   1   4.135  -2.124  -2.984
    8   HG22  VAL   1          1HG2      VAL   1   3.098  -0.863  -3.651
    9   HG23  VAL   1          2HG2      VAL   1   4.494  -0.427  -2.664
   10    H    TYR   2           H        TYR   2  -0.173   0.460  -1.304
   11    HA   TYR   2           HA       TYR   2  -0.112   1.633  -4.007
   12    HB2  TYR   2           2HB      TYR   2  -1.119  -0.755  -3.625
   13    HB3  TYR   2           3HB      TYR   2  -2.497   0.134  -2.984
   14    HD1  TYR   2           HD2      TYR   2  -0.525  -0.596  -5.992
   15    HD2  TYR   2           HD1      TYR   2  -3.928   1.428  -4.436
   16    HE1  TYR   2           HE2      TYR   2  -1.365  -0.262  -8.280
   17    HE2  TYR   2           HE1      TYR   2  -4.779   1.766  -6.719
   18    HH   TYR   2           HH       TYR   2  -2.905   0.743  -9.547
   19    HA   PRO   3           HA       PRO   3  -2.095   4.566  -0.933
   20    HB2  PRO   3           2HB      PRO   3  -0.500   6.685  -1.514
   21    HB3  PRO   3           3HB      PRO   3  -0.089   5.482  -0.286
   22    HG2  PRO   3           2HG      PRO   3   0.870   5.707  -3.113
   23    HG3  PRO   3           3HG      PRO   3   1.792   5.333  -1.645
   24    HD2  PRO   3           2HD      PRO   3   0.984   3.422  -3.385
   25    HD3  PRO   3           3HD      PRO   3   1.130   3.125  -1.641
   26    H    PHE   4           H        PHE   4  -1.888   4.072  -4.177
   27    HA   PHE   4           HA       PHE   4  -2.763   6.538  -5.255
   28    HB2  PHE   4           2HB      PHE   4  -3.295   3.781  -6.374
   29    HB3  PHE   4           3HB      PHE   4  -3.260   5.301  -7.262
   30    HD1  PHE   4           HD2      PHE   4  -1.198   2.820  -5.485
   31    HD2  PHE   4           HD1      PHE   4  -1.222   6.238  -8.022
   32    HE1  PHE   4           HE2      PHE   4   1.194   2.486  -5.952
   33    HE2  PHE   4           HE1      PHE   4   1.171   5.908  -8.494
   34    HZ   PHE   4           HZ       PHE   4   2.382   4.031  -7.457
   35    H    MET   5           H        MET   5  -4.918   4.162  -6.263
   36    HA   MET   5           HA       MET   5  -7.236   5.490  -5.861
   37    HB2  MET   5           2HB      MET   5  -6.503   2.735  -6.342
   38    HB3  MET   5           3HB      MET   5  -7.941   2.827  -5.334
   39    HG2  MET   5           2HG      MET   5  -8.555   4.645  -7.229
   40    HG3  MET   5           3HG      MET   5  -7.561   3.526  -8.159
   41    HE1  MET   5           3HE      MET   5 -11.340   2.564  -5.820
   42    HE2  MET   5           1HE      MET   5 -10.253   3.943  -5.647
   43    HE3  MET   5           2HE      MET   5 -11.442   3.916  -6.949
   44    H    TRP   6           H        TRP   6  -5.515   3.564  -3.475
   45    HA   TRP   6           HA       TRP   6  -7.291   3.185  -1.477
   46    HB2  TRP   6           2HB      TRP   6  -4.433   3.532  -1.639
   47    HB3  TRP   6           3HB      TRP   6  -5.047   4.247  -0.151
   48    HD1  TRP   6           HD1      TRP   6  -4.269   0.938  -1.746
   49    HE1  TRP   6           HE1      TRP   6  -4.805  -0.965  -0.097
   50    HE3  TRP   6           HE3      TRP   6  -6.798   3.621   1.795
   51    HZ2  TRP   6           HZ2      TRP   6  -6.127  -1.286   2.377
   52    HZ3  TRP   6           HZ3      TRP   6  -7.667   2.441   3.772
   53    HH2  TRP   6           HH2      TRP   6  -7.337   0.038   4.054
   54    H    GLY   7           H        GLY   7  -5.204   6.064  -1.297
   55    HA2  GLY   7           2HA      GLY   7  -7.383   7.463   0.078
   56    HA3  GLY   7           3HA      GLY   7  -5.691   7.938   0.074
   57    H    GLY   8           H        GLY   8  -6.247   7.186  -3.029
   58    HA2  GLY   8           2HA      GLY   8  -7.748   8.709  -4.477
   59    HA3  GLY   8           3HA      GLY   8  -6.838   9.992  -3.693
   60    H    ALA   9           H        ALA   9  -6.769   7.451  -6.058
   61    HA   ALA   9           HA       ALA   9  -4.109   7.254  -6.710
   62    HB1  ALA   9           1HB      ALA   9  -6.487   7.284  -8.562
   63    HB2  ALA   9           2HB      ALA   9  -4.865   6.769  -9.026
   64    HB3  ALA   9           3HB      ALA   9  -5.754   5.878  -7.790
   65    H    TYR  10           H        TYR  10  -2.603   8.548  -7.562
   66    HA   TYR  10           HA       TYR  10  -3.452  11.013  -8.917
   67    HB2  TYR  10           2HB      TYR  10  -1.145  11.777  -7.620
   68    HB3  TYR  10           3HB      TYR  10  -2.783  12.178  -7.114
   69    HD1  TYR  10           HD1      TYR  10  -1.052   8.890  -6.924
   70    HD2  TYR  10           HD2      TYR  10  -2.633  12.208  -4.779
   71    HE1  TYR  10           HE1      TYR  10  -0.685   7.690  -4.808
   72    HE2  TYR  10           HE2      TYR  10  -2.269  11.018  -2.658
   73    HH   TYR  10           HH       TYR  10  -1.989   8.779  -1.828
   74    H    CYS  11           H        CYS  11  -2.239   8.300  -9.630
   75    HA   CYS  11           HA       CYS  11  -0.031   9.385 -11.242
   76    HB2  CYS  11           2HB      CYS  11  -0.117   6.837  -9.647
   77    HB3  CYS  11           3HB      CYS  11   0.938   6.990 -11.047
   78    HG   CYS  11           HG       CYS  11   1.060   9.161  -8.410
   79    H    PHE  12           H        PHE  12  -0.875   6.036 -11.359
   80    HA   PHE  12           HA       PHE  12  -1.261   5.904 -14.079
   81    HB2  PHE  12           2HB      PHE  12  -2.201   3.729 -13.744
   82    HB3  PHE  12           3HB      PHE  12  -0.985   3.966 -12.494
   83    HD1  PHE  12           HD1      PHE  12  -2.421   5.594 -10.536
   84    HD2  PHE  12           HD2      PHE  12  -3.746   2.267 -12.837
   85    HE1  PHE  12           HE1      PHE  12  -4.093   5.069  -8.809
   86    HE2  PHE  12           HE2      PHE  12  -5.420   1.738 -11.115
   87    HZ   PHE  12           HZ       PHE  12  -5.596   3.139  -9.097
   88    H    CYS  13           H        CYS  13  -3.352   7.222 -11.736
   89    HA   CYS  13           HA       CYS  13  -5.638   7.128 -13.582
   90    HB2  CYS  13           2HB      CYS  13  -5.421   7.504 -10.609
   91    HB3  CYS  13           3HB      CYS  13  -6.857   8.035 -11.474
   92    HG   CYS  13           HG       CYS  13  -7.994   5.734 -11.664
   93    H    ASP  14           H        ASP  14  -3.215   9.165 -12.356
   94    HA   ASP  14           HA       ASP  14  -4.634  11.523 -13.410
   95    HB2  ASP  14           2HB      ASP  14  -3.376  11.109 -10.818
   96    HB3  ASP  14           3HB      ASP  14  -2.710  12.507 -11.657
   97    H    ALA  15           H        ALA  15  -1.394  10.243 -12.660
   98    HA   ALA  15           HA       ALA  15   0.230  11.930 -14.011
   99    HB1  ALA  15           1HB      ALA  15   1.650  10.369 -13.320
  100    HB2  ALA  15           2HB      ALA  15   0.361   9.169 -13.209
  101    HB3  ALA  15           3HB      ALA  15   1.208   9.416 -14.737
  102    H    GLU  16           H        GLU  16  -1.531   9.212 -15.491
  103    HA   GLU  16           HA       GLU  16  -0.760  10.112 -18.147
  104    HB2  GLU  16           2HB      GLU  16  -0.996   7.640 -17.248
  105    HB3  GLU  16           3HB      GLU  16  -2.682   7.871 -17.690
  106    HG2  GLU  16           2HG      GLU  16  -2.093   7.198 -19.719
  107    HG3  GLU  16           3HG      GLU  16  -1.336   8.778 -19.906
  108    H    ASN  17           H        ASN  17  -3.428  10.321 -15.977
  109    HA   ASN  17           HA       ASN  17  -5.056  11.543 -18.108
  110    HB2  ASN  17           2HB      ASN  17  -5.836   9.331 -16.916
  111    HB3  ASN  17           3HB      ASN  17  -6.307  10.432 -15.624
  112   HD21  ASN  17          1HD2      ASN  17  -6.651   9.895 -19.100
  113   HD22  ASN  17          2HD2      ASN  17  -8.254  10.529 -19.217
  114    H    THR  18           H        THR  18  -3.763  13.475 -17.468
  115    HA   THR  18           HA       THR  18  -3.925  14.682 -14.953
  116    HB   THR  18           HB       THR  18  -3.922  16.476 -17.317
  117    HG1  THR  18           HG1      THR  18  -2.422  15.382 -18.316
  118   HG21  THR  18          3HG2      THR  18  -2.008  16.190 -15.001
  119   HG22  THR  18          1HG2      THR  18  -3.438  17.220 -14.987
  120   HG23  THR  18          2HG2      THR  18  -2.127  17.547 -16.121
  Start of MODEL   14
    1    H1   VAL   1           H        VAL   1   0.840   0.827   0.287
    2    HA   VAL   1           HA       VAL   1   3.054   0.837  -0.993
    3    HB   VAL   1           HB       VAL   1   3.336  -1.602  -0.765
    4   HG11  VAL   1          1HG1      VAL   1   1.048  -1.761  -2.725
    5   HG12  VAL   1          2HG1      VAL   1   2.047  -3.117  -2.200
    6   HG13  VAL   1          3HG1      VAL   1   1.014  -2.279  -1.040
    7   HG21  VAL   1          3HG2      VAL   1   4.573  -1.697  -2.642
    8   HG22  VAL   1          1HG2      VAL   1   3.196  -1.344  -3.686
    9   HG23  VAL   1          2HG2      VAL   1   4.040  -0.031  -2.865
   10    H    TYR   2           H        TYR   2  -0.294   0.462  -1.284
   11    HA   TYR   2           HA       TYR   2  -0.236   1.631  -3.990
   12    HB2  TYR   2           2HB      TYR   2  -1.272  -0.743  -3.599
   13    HB3  TYR   2           3HB      TYR   2  -2.633   0.163  -2.946
   14    HD1  TYR   2           HD2      TYR   2  -0.699  -0.598  -5.971
   15    HD2  TYR   2           HD1      TYR   2  -4.056   1.481  -4.387
   16    HE1  TYR   2           HE2      TYR   2  -1.554  -0.254  -8.251
   17    HE2  TYR   2           HE1      TYR   2  -4.921   1.830  -6.663
   18    HH   TYR   2           HH       TYR   2  -4.278   0.233  -9.139
   19    HA   PRO   3           HA       PRO   3  -2.162   4.588  -0.901
   20    HB2  PRO   3           2HB      PRO   3  -0.534   6.683  -1.478
   21    HB3  PRO   3           3HB      PRO   3  -0.141   5.470  -0.253
   22    HG2  PRO   3           2HG      PRO   3   0.819   5.687  -3.080
   23    HG3  PRO   3           3HG      PRO   3   1.736   5.294  -1.615
   24    HD2  PRO   3           2HD      PRO   3   0.896   3.401  -3.359
   25    HD3  PRO   3           3HD      PRO   3   1.038   3.097  -1.616
   26    H    PHE   4           H        PHE   4  -1.967   4.100  -4.146
   27    HA   PHE   4           HA       PHE   4  -2.802   6.582  -5.217
   28    HB2  PHE   4           2HB      PHE   4  -3.390   3.840  -6.343
   29    HB3  PHE   4           3HB      PHE   4  -3.317   5.361  -7.227
   30    HD1  PHE   4           HD2      PHE   4  -1.319   2.827  -5.453
   31    HD2  PHE   4           HD1      PHE   4  -1.255   6.251  -7.980
   32    HE1  PHE   4           HE2      PHE   4   1.066   2.437  -5.916
   33    HE2  PHE   4           HE1      PHE   4   1.130   5.866  -8.448
   34    HZ   PHE   4           HZ       PHE   4   2.294   3.957  -7.414
   35    H    MET   5           H        MET   5  -4.999   4.242  -6.224
   36    HA   MET   5           HA       MET   5  -7.294   5.609  -5.818
   37    HB2  MET   5           2HB      MET   5  -6.608   2.842  -6.298
   38    HB3  MET   5           3HB      MET   5  -8.043   2.959  -5.288
   39    HG2  MET   5           2HG      MET   5  -8.785   4.707  -7.095
   40    HG3  MET   5           3HG      MET   5  -7.619   3.842  -8.094
   41    HE1  MET   5           3HE      MET   5  -7.614   1.072  -7.204
   42    HE2  MET   5           1HE      MET   5  -9.005   0.169  -7.804
   43    HE3  MET   5           2HE      MET   5  -8.057   1.163  -8.909
   44    H    TRP   6           H        TRP   6  -5.601   3.656  -3.434
   45    HA   TRP   6           HA       TRP   6  -7.378   3.306  -1.432
   46    HB2  TRP   6           2HB      TRP   6  -4.517   3.604  -1.601
   47    HB3  TRP   6           3HB      TRP   6  -5.112   4.342  -0.116
   48    HD1  TRP   6           HD1      TRP   6  -4.387   1.009  -1.680
   49    HE1  TRP   6           HE1      TRP   6  -4.957  -0.872  -0.019
   50    HE3  TRP   6           HE3      TRP   6  -6.887   3.758   1.831
   51    HZ2  TRP   6           HZ2      TRP   6  -6.290  -1.153   2.453
   52    HZ3  TRP   6           HZ3      TRP   6  -7.779   2.607   3.814
   53    HH2  TRP   6           HH2      TRP   6  -7.486   0.202   4.117
   54    H    GLY   7           H        GLY   7  -5.252   6.159  -1.270
   55    HA2  GLY   7           2HA      GLY   7  -7.412   7.591   0.104
   56    HA3  GLY   7           3HA      GLY   7  -5.712   8.037   0.110
   57    H    GLY   8           H        GLY   8  -6.274   7.292  -2.997
   58    HA2  GLY   8           2HA      GLY   8  -7.739   8.845  -4.450
   59    HA3  GLY   8           3HA      GLY   8  -6.805  10.109  -3.663
   60    H    ALA   9           H        ALA   9  -6.785   7.576  -6.035
   61    HA   ALA   9           HA       ALA   9  -4.126   7.323  -6.676
   62    HB1  ALA   9           1HB      ALA   9  -4.883   6.852  -8.993
   63    HB2  ALA   9           2HB      ALA   9  -5.797   5.980  -7.761
   64    HB3  ALA   9           3HB      ALA   9  -6.496   7.401  -8.537
   65    H    TYR  10           H        TYR  10  -2.592   8.588  -7.522
   66    HA   TYR  10           HA       TYR  10  -3.387  11.069  -8.879
   67    HB2  TYR  10           2HB      TYR  10  -1.071  11.788  -7.575
   68    HB3  TYR  10           3HB      TYR  10  -2.702  12.220  -7.074
   69    HD1  TYR  10           HD1      TYR  10  -1.038   8.899  -6.879
   70    HD2  TYR  10           HD2      TYR  10  -2.558  12.248  -4.739
   71    HE1  TYR  10           HE1      TYR  10  -0.700   7.692  -4.762
   72    HE2  TYR  10           HE2      TYR  10  -2.224  11.051  -2.616
   73    HH   TYR  10           HH       TYR  10  -1.826   9.002  -1.701
   74    H    CYS  11           H        CYS  11  -2.227   8.333  -9.590
   75    HA   CYS  11           HA       CYS  11   0.009   9.374 -11.194
   76    HB2  CYS  11           2HB      CYS  11  -0.134   6.827  -9.601
   77    HB3  CYS  11           3HB      CYS  11   0.930   6.962 -10.996
   78    HG   CYS  11           HG       CYS  11   2.311   9.201  -9.902
   79    H    PHE  12           H        PHE  12  -0.900   6.043 -11.315
   80    HA   PHE  12           HA       PHE  12  -1.280   5.920 -14.036
   81    HB2  PHE  12           2HB      PHE  12  -2.263   3.763 -13.706
   82    HB3  PHE  12           3HB      PHE  12  -1.046   3.976 -12.452
   83    HD1  PHE  12           HD1      PHE  12  -2.458   5.631 -10.498
   84    HD2  PHE  12           HD2      PHE  12  -3.836   2.330 -12.804
   85    HE1  PHE  12           HE1      PHE  12  -4.145   5.137  -8.776
   86    HE2  PHE  12           HE2      PHE  12  -5.526   1.831 -11.087
   87    HZ   PHE  12           HZ       PHE  12  -5.683   3.236  -9.070
   88    H    CYS  13           H        CYS  13  -3.353   7.277 -11.700
   89    HA   CYS  13           HA       CYS  13  -5.635   7.227 -13.551
   90    HB2  CYS  13           2HB      CYS  13  -5.418   7.600 -10.578
   91    HB3  CYS  13           3HB      CYS  13  -6.842   8.159 -11.448
   92    HG   CYS  13           HG       CYS  13  -7.990   5.902 -10.982
   93    H    ASP  14           H        ASP  14  -3.177   9.218 -12.317
   94    HA   ASP  14           HA       ASP  14  -4.547  11.601 -13.378
   95    HB2  ASP  14           2HB      ASP  14  -3.295  11.166 -10.784
   96    HB3  ASP  14           3HB      ASP  14  -2.617  12.559 -11.623
   97    H    ALA  15           H        ALA  15  -1.335  10.261 -12.616
   98    HA   ALA  15           HA       ALA  15   0.326  11.916 -13.964
   99    HB1  ALA  15           1HB      ALA  15   1.262   9.384 -14.681
  100    HB2  ALA  15           2HB      ALA  15   1.713  10.329 -13.262
  101    HB3  ALA  15           3HB      ALA  15   0.403   9.154 -13.158
  102    H    GLU  16           H        GLU  16  -1.476   9.225 -15.445
  103    HA   GLU  16           HA       GLU  16  -0.678  10.103 -18.100
  104    HB2  GLU  16           2HB      GLU  16  -0.969   7.639 -17.195
  105    HB3  GLU  16           3HB      GLU  16  -2.648   7.904 -17.644
  106    HG2  GLU  16           2HG      GLU  16  -0.495   8.504 -19.613
  107    HG3  GLU  16           3HG      GLU  16  -0.977   6.833 -19.330
  108    H    ASN  17           H        ASN  17  -3.348  10.379 -15.941
  109    HA   ASN  17           HA       ASN  17  -4.950  11.611 -18.086
  110    HB2  ASN  17           2HB      ASN  17  -5.768   9.439 -16.828
  111    HB3  ASN  17           3HB      ASN  17  -6.230  10.594 -15.581
  112   HD21  ASN  17          1HD2      ASN  17  -8.340   9.542 -16.254
  113   HD22  ASN  17          2HD2      ASN  17  -9.238  10.353 -17.487
  114    H    THR  18           H        THR  18  -3.408  13.423 -17.319
  115    HA   THR  18           HA       THR  18  -4.121  14.701 -14.834
  116    HB   THR  18           HB       THR  18  -1.819  14.840 -15.742
  117    HG1  THR  18           HG1      THR  18  -2.444  16.465 -14.321
  118   HG21  THR  18          3HG2      THR  18  -2.414  15.019 -18.125
  119   HG22  THR  18          1HG2      THR  18  -1.336  16.318 -17.617
  120   HG23  THR  18          2HG2      THR  18  -3.058  16.635 -17.833
  Start of MODEL   15
    1    H1   VAL   1           H        VAL   1   1.388   0.884   0.583
    2    HA   VAL   1           HA       VAL   1   3.095   0.832  -1.022
    3    HB   VAL   1           HB       VAL   1   3.342  -1.616  -0.786
    4   HG11  VAL   1          1HG1      VAL   1   1.581  -2.235  -3.044
    5   HG12  VAL   1          2HG1      VAL   1   1.855  -3.117  -1.540
    6   HG13  VAL   1          3HG1      VAL   1   0.737  -1.753  -1.573
    7   HG21  VAL   1          3HG2      VAL   1   3.222  -0.771  -3.677
    8   HG22  VAL   1          1HG2      VAL   1   4.510  -0.318  -2.561
    9   HG23  VAL   1          2HG2      VAL   1   4.254  -2.015  -2.970
   10    H    TYR   2           H        TYR   2  -0.255   0.473  -1.339
   11    HA   TYR   2           HA       TYR   2  -0.169   1.651  -4.040
   12    HB2  TYR   2           2HB      TYR   2  -1.216  -0.720  -3.666
   13    HB3  TYR   2           3HB      TYR   2  -2.580   0.188  -3.024
   14    HD1  TYR   2           HD2      TYR   2  -0.617  -0.565  -6.032
   15    HD2  TYR   2           HD1      TYR   2  -3.988   1.510  -4.473
   16    HE1  TYR   2           HE2      TYR   2  -1.449  -0.210  -8.320
   17    HE2  TYR   2           HE1      TYR   2  -4.830   1.870  -6.756
   18    HH   TYR   2           HH       TYR   2  -3.658   0.215  -9.429
   19    HA   PRO   3           HA       PRO   3  -2.110   4.608  -0.962
   20    HB2  PRO   3           2HB      PRO   3  -0.479   6.702  -1.533
   21    HB3  PRO   3           3HB      PRO   3  -0.091   5.489  -0.307
   22    HG2  PRO   3           2HG      PRO   3   0.879   5.706  -3.131
   23    HG3  PRO   3           3HG      PRO   3   1.791   5.312  -1.662
   24    HD2  PRO   3           2HD      PRO   3   0.956   3.420  -3.409
   25    HD3  PRO   3           3HD      PRO   3   1.092   3.116  -1.665
   26    H    PHE   4           H        PHE   4  -1.904   4.120  -4.207
   27    HA   PHE   4           HA       PHE   4  -2.735   6.603  -5.279
   28    HB2  PHE   4           2HB      PHE   4  -3.308   3.859  -6.408
   29    HB3  PHE   4           3HB      PHE   4  -3.247   5.380  -7.291
   30    HD1  PHE   4           HD2      PHE   4  -1.229   2.862  -5.516
   31    HD2  PHE   4           HD1      PHE   4  -1.191   6.286  -8.044
   32    HE1  PHE   4           HE2      PHE   4   1.158   2.491  -5.977
   33    HE2  PHE   4           HE1      PHE   4   1.197   5.920  -8.510
   34    HZ   PHE   4           HZ       PHE   4   2.375   4.021  -7.475
   35    H    MET   5           H        MET   5  -4.925   4.263  -6.299
   36    HA   MET   5           HA       MET   5  -7.223   5.627  -5.901
   37    HB2  MET   5           2HB      MET   5  -6.532   2.862  -6.386
   38    HB3  MET   5           3HB      MET   5  -7.971   2.975  -5.381
   39    HG2  MET   5           2HG      MET   5  -7.836   4.700  -7.785
   40    HG3  MET   5           3HG      MET   5  -8.077   2.971  -8.025
   41    HE1  MET   5           3HE      MET   5 -11.607   3.303  -8.510
   42    HE2  MET   5           1HE      MET   5 -10.830   4.810  -8.996
   43    HE3  MET   5           2HE      MET   5  -9.992   3.274  -9.219
   44    H    TRP   6           H        TRP   6  -5.539   3.670  -3.514
   45    HA   TRP   6           HA       TRP   6  -7.327   3.315  -1.522
   46    HB2  TRP   6           2HB      TRP   6  -4.462   3.617  -1.675
   47    HB3  TRP   6           3HB      TRP   6  -5.070   4.336  -0.186
   48    HD1  TRP   6           HD1      TRP   6  -4.346   1.019  -1.796
   49    HE1  TRP   6           HE1      TRP   6  -4.915  -0.880  -0.155
   50    HE3  TRP   6           HE3      TRP   6  -6.826   3.732   1.758
   51    HZ2  TRP   6           HZ2      TRP   6  -6.240  -1.188   2.319
   52    HZ3  TRP   6           HZ3      TRP   6  -7.713   2.559   3.731
   53    HH2  TRP   6           HH2      TRP   6  -7.426   0.150   4.003
   54    H    GLY   7           H        GLY   7  -5.192   6.158  -1.326
   55    HA2  GLY   7           2HA      GLY   7  -7.351   7.589   0.045
   56    HA3  GLY   7           3HA      GLY   7  -5.652   8.037   0.046
   57    H    GLY   8           H        GLY   8  -6.214   7.301  -3.060
   58    HA2  GLY   8           2HA      GLY   8  -7.684   8.851  -4.508
   59    HA3  GLY   8           3HA      GLY   8  -6.757  10.117  -3.718
   60    H    ALA   9           H        ALA   9  -6.721   7.585  -6.093
   61    HA   ALA   9           HA       ALA   9  -4.063   7.347  -6.736
   62    HB1  ALA   9           1HB      ALA   9  -6.435   7.420  -8.594
   63    HB2  ALA   9           2HB      ALA   9  -4.820   6.883  -9.056
   64    HB3  ALA   9           3HB      ALA   9  -5.724   6.000  -7.826
   65    H    TYR  10           H        TYR  10  -2.533   8.620  -7.578
   66    HA   TYR  10           HA       TYR  10  -3.338  11.101  -8.928
   67    HB2  TYR  10           2HB      TYR  10  -1.024  11.826  -7.621
   68    HB3  TYR  10           3HB      TYR  10  -2.657  12.250  -7.119
   69    HD1  TYR  10           HD1      TYR  10  -0.980   8.935  -6.934
   70    HD2  TYR  10           HD2      TYR  10  -2.513  12.271  -4.784
   71    HE1  TYR  10           HE1      TYR  10  -0.638   7.723  -4.821
   72    HE2  TYR  10           HE2      TYR  10  -2.174  11.068  -2.665
   73    HH   TYR  10           HH       TYR  10  -1.849   8.936  -1.790
   74    H    CYS  11           H        CYS  11  -2.169   8.373  -9.648
   75    HA   CYS  11           HA       CYS  11   0.064   9.427 -11.248
   76    HB2  CYS  11           2HB      CYS  11  -0.070   6.875  -9.663
   77    HB3  CYS  11           3HB      CYS  11   0.992   7.016 -11.058
   78    HG   CYS  11           HG       CYS  11   1.276   9.500  -8.817
   79    H    PHE  12           H        PHE  12  -0.838   6.093 -11.379
   80    HA   PHE  12           HA       PHE  12  -1.215   5.978 -14.101
   81    HB2  PHE  12           2HB      PHE  12  -2.192   3.817 -13.778
   82    HB3  PHE  12           3HB      PHE  12  -0.975   4.029 -12.523
   83    HD1  PHE  12           HD1      PHE  12  -2.392   5.674 -10.564
   84    HD2  PHE  12           HD2      PHE  12  -3.761   2.376 -12.881
   85    HE1  PHE  12           HE1      PHE  12  -4.077   5.169  -8.843
   86    HE2  PHE  12           HE2      PHE  12  -5.449   1.867 -11.165
   87    HZ   PHE  12           HZ       PHE  12  -5.609   3.264  -9.143
   88    H    CYS  13           H        CYS  13  -3.292   7.322 -11.761
   89    HA   CYS  13           HA       CYS  13  -5.572   7.273 -13.615
   90    HB2  CYS  13           2HB      CYS  13  -5.362   7.628 -10.639
   91    HB3  CYS  13           3HB      CYS  13  -6.786   8.186 -11.508
   92    HG   CYS  13           HG       CYS  13  -7.923   5.920 -11.048
   93    H    ASP  14           H        ASP  14  -3.116   9.260 -12.385
   94    HA   ASP  14           HA       ASP  14  -4.494  11.647 -13.427
   95    HB2  ASP  14           2HB      ASP  14  -3.251  11.201 -10.831
   96    HB3  ASP  14           3HB      ASP  14  -2.572  12.599 -11.660
   97    H    ALA  15           H        ALA  15  -1.278  10.317 -12.659
   98    HA   ALA  15           HA       ALA  15   0.385  11.979 -13.986
   99    HB1  ALA  15           1HB      ALA  15   1.315   9.453 -14.736
  100    HB2  ALA  15           2HB      ALA  15   1.770  10.381 -13.307
  101    HB3  ALA  15           3HB      ALA  15   0.457   9.209 -13.215
  102    H    GLU  16           H        GLU  16  -1.396   9.298 -15.512
  103    HA   GLU  16           HA       GLU  16  -0.696  10.373 -18.145
  104    HB2  GLU  16           2HB      GLU  16  -0.539   7.852 -17.378
  105    HB3  GLU  16           3HB      GLU  16  -2.248   7.846 -17.787
  106    HG2  GLU  16           2HG      GLU  16  -1.740   8.543 -20.049
  107    HG3  GLU  16           3HG      GLU  16  -0.026   8.644 -19.653
  108    H    ASN  17           H        ASN  17  -3.335  10.036 -15.947
  109    HA   ASN  17           HA       ASN  17  -5.155  11.141 -17.986
  110    HB2  ASN  17           2HB      ASN  17  -5.857   8.890 -17.376
  111    HB3  ASN  17           3HB      ASN  17  -5.822   9.315 -15.667
  112   HD21  ASN  17          1HD2      ASN  17  -8.047   8.504 -15.794
  113   HD22  ASN  17          2HD2      ASN  17  -9.297   9.606 -16.251
  114    H    THR  18           H        THR  18  -4.027  13.145 -17.089
  115    HA   THR  18           HA       THR  18  -4.880  14.024 -14.477
  116    HB   THR  18           HB       THR  18  -3.936  16.264 -15.841
  117    HG1  THR  18           HG1      THR  18  -2.531  15.595 -17.279
  118   HG21  THR  18          3HG2      THR  18  -2.974  16.191 -13.814
  119   HG22  THR  18          1HG2      THR  18  -1.716  15.235 -14.595
  120   HG23  THR  18          2HG2      THR  18  -3.038  14.430 -13.749
  Start of MODEL   16
    1    H1   VAL   1           H        VAL   1   2.124   0.198   0.954
    2    HA   VAL   1           HA       VAL   1   3.257   0.954  -1.013
    3    HB   VAL   1           HB       VAL   1   3.512  -1.457  -0.686
    4   HG11  VAL   1          1HG1      VAL   1   1.060  -1.682  -2.428
    5   HG12  VAL   1          2HG1      VAL   1   2.090  -3.031  -1.943
    6   HG13  VAL   1          3HG1      VAL   1   1.186  -2.128  -0.726
    7   HG21  VAL   1          3HG2      VAL   1   4.179  -2.036  -2.931
    8   HG22  VAL   1          1HG2      VAL   1   3.123  -0.793  -3.602
    9   HG23  VAL   1          2HG2      VAL   1   4.531  -0.332  -2.645
   10    H    TYR   2           H        TYR   2  -0.123   0.538  -1.245
   11    HA   TYR   2           HA       TYR   2  -0.095   1.676  -3.964
   12    HB2  TYR   2           2HB      TYR   2  -1.075  -0.716  -3.542
   13    HB3  TYR   2           3HB      TYR   2  -2.457   0.167  -2.902
   14    HD1  TYR   2           HD2      TYR   2  -0.501  -0.583  -5.916
   15    HD2  TYR   2           HD1      TYR   2  -3.913   1.427  -4.359
   16    HE1  TYR   2           HE2      TYR   2  -1.362  -0.288  -8.201
   17    HE2  TYR   2           HE1      TYR   2  -4.784   1.727  -6.639
   18    HH   TYR   2           HH       TYR   2  -4.296   0.252  -9.004
   19    HA   PRO   3           HA       PRO   3  -2.083   4.628  -0.911
   20    HB2  PRO   3           2HB      PRO   3  -0.514   6.756  -1.531
   21    HB3  PRO   3           3HB      PRO   3  -0.082   5.572  -0.292
   22    HG2  PRO   3           2HG      PRO   3   0.853   5.771  -3.129
   23    HG3  PRO   3           3HG      PRO   3   1.790   5.425  -1.664
   24    HD2  PRO   3           2HD      PRO   3   0.988   3.484  -3.373
   25    HD3  PRO   3           3HD      PRO   3   1.150   3.211  -1.626
   26    H    PHE   4           H        PHE   4  -1.897   4.096  -4.150
   27    HA   PHE   4           HA       PHE   4  -2.804   6.538  -5.252
   28    HB2  PHE   4           2HB      PHE   4  -3.320   3.762  -6.330
   29    HB3  PHE   4           3HB      PHE   4  -3.307   5.270  -7.239
   30    HD1  PHE   4           HD2      PHE   4  -1.206   2.833  -5.448
   31    HD2  PHE   4           HD1      PHE   4  -1.284   6.216  -8.029
   32    HE1  PHE   4           HE2      PHE   4   1.185   2.515  -5.930
   33    HE2  PHE   4           HE1      PHE   4   1.107   5.904  -8.516
   34    HZ   PHE   4           HZ       PHE   4   2.345   4.052  -7.466
   35    H    MET   5           H        MET   5  -4.946   4.131  -6.214
   36    HA   MET   5           HA       MET   5  -7.273   5.443  -5.807
   37    HB2  MET   5           2HB      MET   5  -6.519   2.688  -6.260
   38    HB3  MET   5           3HB      MET   5  -7.950   2.782  -5.242
   39    HG2  MET   5           2HG      MET   5  -9.198   3.856  -6.879
   40    HG3  MET   5           3HG      MET   5  -7.767   4.360  -7.774
   41    HE1  MET   5           3HE      MET   5  -9.830   0.434  -7.410
   42    HE2  MET   5           1HE      MET   5 -10.312   2.051  -6.894
   43    HE3  MET   5           2HE      MET   5 -10.645   1.515  -8.541
   44    H    TRP   6           H        TRP   6  -5.515   3.561  -3.413
   45    HA   TRP   6           HA       TRP   6  -7.270   3.190  -1.396
   46    HB2  TRP   6           2HB      TRP   6  -4.417   3.562  -1.586
   47    HB3  TRP   6           3HB      TRP   6  -5.025   4.292  -0.102
   48    HD1  TRP   6           HD1      TRP   6  -4.230   0.969  -1.661
   49    HE1  TRP   6           HE1      TRP   6  -4.733  -0.917   0.018
   50    HE3  TRP   6           HE3      TRP   6  -6.752   3.675   1.868
   51    HZ2  TRP   6           HZ2      TRP   6  -6.029  -1.217   2.507
   52    HZ3  TRP   6           HZ3      TRP   6  -7.591   2.513   3.868
   53    HH2  TRP   6           HH2      TRP   6  -7.237   0.117   4.179
   54    H    GLY   7           H        GLY   7  -5.211   6.092  -1.270
   55    HA2  GLY   7           2HA      GLY   7  -7.393   7.486   0.106
   56    HA3  GLY   7           3HA      GLY   7  -5.706   7.978   0.084
   57    H    GLY   8           H        GLY   8  -6.275   7.183  -3.006
   58    HA2  GLY   8           2HA      GLY   8  -7.803   8.675  -4.460
   59    HA3  GLY   8           3HA      GLY   8  -6.897   9.974  -3.699
   60    H    ALA   9           H        ALA   9  -6.826   7.405  -6.033
   61    HA   ALA   9           HA       ALA   9  -4.170   7.223  -6.705
   62    HB1  ALA   9           1HB      ALA   9  -4.938   6.699  -9.006
   63    HB2  ALA   9           2HB      ALA   9  -5.814   5.819  -7.752
   64    HB3  ALA   9           3HB      ALA   9  -6.561   7.209  -8.540
   65    H    TYR  10           H        TYR  10  -2.683   8.519  -7.586
   66    HA   TYR  10           HA       TYR  10  -3.565  10.959  -8.965
   67    HB2  TYR  10           2HB      TYR  10  -1.253  11.759  -7.699
   68    HB3  TYR  10           3HB      TYR  10  -2.889  12.153  -7.184
   69    HD1  TYR  10           HD1      TYR  10  -1.130   8.883  -6.965
   70    HD2  TYR  10           HD2      TYR  10  -2.722  12.215  -4.851
   71    HE1  TYR  10           HE1      TYR  10  -0.736   7.714  -4.837
   72    HE2  TYR  10           HE2      TYR  10  -2.331  11.056  -2.718
   73    HH   TYR  10           HH       TYR  10  -2.124   8.566  -1.988
   74    H    CYS  11           H        CYS  11  -2.336   8.248  -9.654
   75    HA   CYS  11           HA       CYS  11  -0.152   9.331 -11.301
   76    HB2  CYS  11           2HB      CYS  11  -0.200   6.804  -9.672
   77    HB3  CYS  11           3HB      CYS  11   0.840   6.948 -11.084
   78    HG   CYS  11           HG       CYS  11   1.085   9.471  -8.880
   79    H    PHE  12           H        PHE  12  -0.973   5.974 -11.363
   80    HA   PHE  12           HA       PHE  12  -1.381   5.803 -14.079
   81    HB2  PHE  12           2HB      PHE  12  -2.295   3.623 -13.707
   82    HB3  PHE  12           3HB      PHE  12  -1.070   3.888 -12.471
   83    HD1  PHE  12           HD1      PHE  12  -2.505   5.527 -10.520
   84    HD2  PHE  12           HD2      PHE  12  -3.816   2.158 -12.767
   85    HE1  PHE  12           HE1      PHE  12  -4.156   5.007  -8.771
   86    HE2  PHE  12           HE2      PHE  12  -5.469   1.633 -11.022
   87    HZ   PHE  12           HZ       PHE  12  -5.641   3.058  -9.022
   88    H    CYS  13           H        CYS  13  -3.456   7.143 -11.738
   89    HA   CYS  13           HA       CYS  13  -5.761   6.999 -13.556
   90    HB2  CYS  13           2HB      CYS  13  -5.518   7.416 -10.590
   91    HB3  CYS  13           3HB      CYS  13  -6.968   7.922 -11.448
   92    HG   CYS  13           HG       CYS  13  -7.379   5.435 -10.164
   93    H    ASP  14           H        ASP  14  -3.345   9.074 -12.381
   94    HA   ASP  14           HA       ASP  14  -4.796  11.404 -13.453
   95    HB2  ASP  14           2HB      ASP  14  -3.498  11.038 -10.870
   96    HB3  ASP  14           3HB      ASP  14  -2.876  12.441 -11.736
   97    H    ALA  15           H        ALA  15  -1.544  10.147 -12.727
   98    HA   ALA  15           HA       ALA  15   0.039  11.847 -14.134
   99    HB1  ALA  15           1HB      ALA  15   1.485  10.345 -13.363
  100    HB2  ALA  15           2HB      ALA  15   0.235   9.105 -13.253
  101    HB3  ALA  15           3HB      ALA  15   1.099   9.355 -14.771
  102    H    GLU  16           H        GLU  16  -1.553   8.968 -15.512
  103    HA   GLU  16           HA       GLU  16  -0.799   9.698 -18.192
  104    HB2  GLU  16           2HB      GLU  16  -1.261   7.324 -17.133
  105    HB3  GLU  16           3HB      GLU  16  -2.914   7.667 -17.621
  106    HG2  GLU  16           2HG      GLU  16  -2.192   6.597 -19.483
  107    HG3  GLU  16           3HG      GLU  16  -1.747   8.247 -19.914
  108    H    ASN  17           H        ASN  17  -3.471  10.280 -16.093
  109    HA   ASN  17           HA       ASN  17  -5.477  10.766 -18.018
  110    HB2  ASN  17           2HB      ASN  17  -5.861  10.430 -15.562
  111    HB3  ASN  17           3HB      ASN  17  -5.226  12.050 -15.292
  112   HD21  ASN  17          1HD2      ASN  17  -6.344  13.821 -16.397
  113   HD22  ASN  17          2HD2      ASN  17  -8.055  13.710 -16.608
  114    H    THR  18           H        THR  18  -3.581  13.123 -16.123
  115    HA   THR  18           HA       THR  18  -4.300  15.259 -17.923
  116    HB   THR  18           HB       THR  18  -2.328  15.273 -15.629
  117    HG1  THR  18           HG1      THR  18  -4.744  14.853 -15.305
  118   HG21  THR  18          3HG2      THR  18  -3.496  17.805 -16.074
  119   HG22  THR  18          1HG2      THR  18  -2.941  17.214 -17.640
  120   HG23  THR  18          2HG2      THR  18  -1.811  17.335 -16.291
  Start of MODEL   17
    1    H1   VAL   1           H        VAL   1   1.489  -0.588   0.725
    2    HA   VAL   1           HA       VAL   1   3.102   0.813  -0.956
    3    HB   VAL   1           HB       VAL   1   3.297  -1.606  -0.641
    4   HG11  VAL   1          1HG1      VAL   1   0.839  -2.054  -0.800
    5   HG12  VAL   1          2HG1      VAL   1   0.985  -1.893  -2.552
    6   HG13  VAL   1          3HG1      VAL   1   1.853  -3.177  -1.707
    7   HG21  VAL   1          3HG2      VAL   1   2.962  -0.912  -3.558
    8   HG22  VAL   1          1HG2      VAL   1   4.366  -0.491  -2.577
    9   HG23  VAL   1          2HG2      VAL   1   3.979  -2.185  -2.882
   10    H    TYR   2           H        TYR   2  -0.283   0.479  -1.222
   11    HA   TYR   2           HA       TYR   2  -0.204   1.630  -3.934
   12    HB2  TYR   2           2HB      TYR   2  -1.246  -0.740  -3.534
   13    HB3  TYR   2           3HB      TYR   2  -2.611   0.173  -2.901
   14    HD1  TYR   2           HD2      TYR   2  -0.647  -0.609  -5.902
   15    HD2  TYR   2           HD1      TYR   2  -4.022   1.476  -4.365
   16    HE1  TYR   2           HE2      TYR   2  -1.480  -0.282  -8.192
   17    HE2  TYR   2           HE1      TYR   2  -4.865   1.808  -6.652
   18    HH   TYR   2           HH       TYR   2  -3.414   0.231  -9.392
   19    HA   PRO   3           HA       PRO   3  -2.146   4.614  -0.884
   20    HB2  PRO   3           2HB      PRO   3  -0.522   6.706  -1.480
   21    HB3  PRO   3           3HB      PRO   3  -0.129   5.507  -0.243
   22    HG2  PRO   3           2HG      PRO   3   0.835   5.696  -3.071
   23    HG3  PRO   3           3HG      PRO   3   1.751   5.320  -1.600
   24    HD2  PRO   3           2HD      PRO   3   0.917   3.408  -3.325
   25    HD3  PRO   3           3HD      PRO   3   1.057   3.122  -1.579
   26    H    PHE   4           H        PHE   4  -1.946   4.093  -4.124
   27    HA   PHE   4           HA       PHE   4  -2.784   6.562  -5.221
   28    HB2  PHE   4           2HB      PHE   4  -3.358   3.804  -6.317
   29    HB3  PHE   4           3HB      PHE   4  -3.301   5.315  -7.218
   30    HD1  PHE   4           HD2      PHE   4  -1.275   2.820  -5.421
   31    HD2  PHE   4           HD1      PHE   4  -1.249   6.216  -7.987
   32    HE1  PHE   4           HE2      PHE   4   1.112   2.447  -5.886
   33    HE2  PHE   4           HE1      PHE   4   1.138   5.848  -8.456
   34    HZ   PHE   4           HZ       PHE   4   2.322   3.962  -7.404
   35    H    MET   5           H        MET   5  -4.975   4.211  -6.212
   36    HA   MET   5           HA       MET   5  -7.273   5.576  -5.819
   37    HB2  MET   5           2HB      MET   5  -6.582   2.807  -6.280
   38    HB3  MET   5           3HB      MET   5  -8.018   2.929  -5.272
   39    HG2  MET   5           2HG      MET   5  -8.747   4.672  -7.099
   40    HG3  MET   5           3HG      MET   5  -7.594   3.776  -8.086
   41    HE1  MET   5           3HE      MET   5  -8.303   1.573  -9.387
   42    HE2  MET   5           1HE      MET   5  -7.589   1.057  -7.859
   43    HE3  MET   5           2HE      MET   5  -9.070   0.297  -8.441
   44    H    TRP   6           H        TRP   6  -5.581   3.643  -3.419
   45    HA   TRP   6           HA       TRP   6  -7.363   3.306  -1.418
   46    HB2  TRP   6           2HB      TRP   6  -4.499   3.608  -1.583
   47    HB3  TRP   6           3HB      TRP   6  -5.102   4.344  -0.101
   48    HD1  TRP   6           HD1      TRP   6  -4.371   1.011  -1.666
   49    HE1  TRP   6           HE1      TRP   6  -4.938  -0.870  -0.004
   50    HE3  TRP   6           HE3      TRP   6  -6.869   3.759   1.847
   51    HZ2  TRP   6           HZ2      TRP   6  -6.269  -1.152   2.469
   52    HZ3  TRP   6           HZ3      TRP   6  -7.758   2.607   3.832
   53    HH2  TRP   6           HH2      TRP   6  -7.463   0.203   4.134
   54    H    GLY   7           H        GLY   7  -5.231   6.154  -1.258
   55    HA2  GLY   7           2HA      GLY   7  -7.390   7.596   0.105
   56    HA3  GLY   7           3HA      GLY   7  -5.691   8.045   0.099
   57    H    GLY   8           H        GLY   8  -6.258   7.279  -2.999
   58    HA2  GLY   8           2HA      GLY   8  -7.734   8.815  -4.458
   59    HA3  GLY   8           3HA      GLY   8  -6.803  10.088  -3.684
   60    H    ALA   9           H        ALA   9  -6.777   7.532  -6.032
   61    HA   ALA   9           HA       ALA   9  -4.121   7.287  -6.682
   62    HB1  ALA   9           1HB      ALA   9  -4.883   6.793  -8.992
   63    HB2  ALA   9           2HB      ALA   9  -5.789   5.928  -7.750
   64    HB3  ALA   9           3HB      ALA   9  -6.497   7.339  -8.536
   65    H    TYR  10           H        TYR  10  -2.595   8.551  -7.544
   66    HA   TYR  10           HA       TYR  10  -3.406  11.017  -8.919
   67    HB2  TYR  10           2HB      TYR  10  -1.086  11.755  -7.630
   68    HB3  TYR  10           3HB      TYR  10  -2.717  12.187  -7.127
   69    HD1  TYR  10           HD1      TYR  10  -1.040   8.873  -6.908
   70    HD2  TYR  10           HD2      TYR  10  -2.568  12.234  -4.793
   71    HE1  TYR  10           HE1      TYR  10  -0.693   7.685  -4.782
   72    HE2  TYR  10           HE2      TYR  10  -2.224  11.056  -2.661
   73    HH   TYR  10           HH       TYR  10  -2.097   8.413  -2.020
   74    H    CYS  11           H        CYS  11  -2.238   8.280  -9.612
   75    HA   CYS  11           HA       CYS  11  -0.014   9.317 -11.235
   76    HB2  CYS  11           2HB      CYS  11  -0.137   6.785  -9.618
   77    HB3  CYS  11           3HB      CYS  11   0.918   6.910 -11.020
   78    HG   CYS  11           HG       CYS  11   2.291   9.170  -9.954
   79    H    PHE  12           H        PHE  12  -0.914   5.981 -11.320
   80    HA   PHE  12           HA       PHE  12  -1.304   5.834 -14.040
   81    HB2  PHE  12           2HB      PHE  12  -2.275   3.675 -13.686
   82    HB3  PHE  12           3HB      PHE  12  -1.053   3.904 -12.439
   83    HD1  PHE  12           HD1      PHE  12  -2.465   5.568 -10.493
   84    HD2  PHE  12           HD2      PHE  12  -3.839   2.243 -12.767
   85    HE1  PHE  12           HE1      PHE  12  -4.142   5.080  -8.760
   86    HE2  PHE  12           HE2      PHE  12  -5.519   1.751 -11.038
   87    HZ   PHE  12           HZ       PHE  12  -5.673   3.170  -9.032
   88    H    CYS  13           H        CYS  13  -3.367   7.211 -11.709
   89    HA   CYS  13           HA       CYS  13  -5.659   7.132 -13.547
   90    HB2  CYS  13           2HB      CYS  13  -5.430   7.530 -10.578
   91    HB3  CYS  13           3HB      CYS  13  -6.861   8.075 -11.446
   92    HG   CYS  13           HG       CYS  13  -6.711   5.335 -10.078
   93    H    ASP  14           H        ASP  14  -3.203   9.142 -12.343
   94    HA   ASP  14           HA       ASP  14  -4.587  11.511 -13.417
   95    HB2  ASP  14           2HB      ASP  14  -3.317  11.103 -10.825
   96    HB3  ASP  14           3HB      ASP  14  -2.663  12.498 -11.678
   97    H    ALA  15           H        ALA  15  -1.373  10.174 -12.665
   98    HA   ALA  15           HA       ALA  15   0.264  11.842 -14.049
   99    HB1  ALA  15           1HB      ALA  15   1.663  10.300 -13.268
  100    HB2  ALA  15           2HB      ALA  15   0.384   9.088 -13.186
  101    HB3  ALA  15           3HB      ALA  15   1.273   9.331 -14.689
  102    H    GLU  16           H        GLU  16  -1.383   9.008 -15.457
  103    HA   GLU  16           HA       GLU  16  -0.587   9.734 -18.126
  104    HB2  GLU  16           2HB      GLU  16  -1.112   7.365 -17.086
  105    HB3  GLU  16           3HB      GLU  16  -2.754   7.749 -17.583
  106    HG2  GLU  16           2HG      GLU  16  -1.702   8.258 -19.878
  107    HG3  GLU  16           3HG      GLU  16  -0.322   7.346 -19.272
  108    H    ASN  17           H        ASN  17  -3.265  10.365 -16.049
  109    HA   ASN  17           HA       ASN  17  -5.235  10.914 -17.998
  110    HB2  ASN  17           2HB      ASN  17  -5.651  10.551 -15.544
  111    HB3  ASN  17           3HB      ASN  17  -5.008  12.165 -15.255
  112   HD21  ASN  17          1HD2      ASN  17  -7.427  10.484 -17.225
  113   HD22  ASN  17          2HD2      ASN  17  -8.621  11.729 -17.129
  114    H    THR  18           H        THR  18  -3.541  13.292 -15.952
  115    HA   THR  18           HA       THR  18  -3.621  15.160 -18.232
  116    HB   THR  18           HB       THR  18  -3.254  16.342 -15.565
  117    HG1  THR  18           HG1      THR  18  -5.473  16.070 -15.020
  118   HG21  THR  18          3HG2      THR  18  -3.824  17.317 -17.993
  119   HG22  THR  18          1HG2      THR  18  -4.324  18.117 -16.503
  120   HG23  THR  18          2HG2      THR  18  -5.465  17.102 -17.385
  Start of MODEL   18
    1    H1   VAL   1           H        VAL   1   1.955   0.361   1.024
    2    HA   VAL   1           HA       VAL   1   3.141   0.991  -0.891
    3    HB   VAL   1           HB       VAL   1   3.353  -1.467  -0.557
    4   HG11  VAL   1          1HG1      VAL   1   2.125  -2.970  -2.063
    5   HG12  VAL   1          2HG1      VAL   1   1.044  -2.108  -0.966
    6   HG13  VAL   1          3HG1      VAL   1   1.183  -1.599  -2.649
    7   HG21  VAL   1          3HG2      VAL   1   4.296  -1.930  -2.746
    8   HG22  VAL   1          1HG2      VAL   1   3.377  -0.597  -3.445
    9   HG23  VAL   1          2HG2      VAL   1   4.652  -0.270  -2.271
   10    H    TYR   2           H        TYR   2  -0.214   0.537  -1.235
   11    HA   TYR   2           HA       TYR   2  -0.119   1.687  -3.948
   12    HB2  TYR   2           2HB      TYR   2  -1.093  -0.715  -3.564
   13    HB3  TYR   2           3HB      TYR   2  -2.498   0.155  -2.957
   14    HD1  TYR   2           HD2      TYR   2  -0.458  -0.570  -5.920
   15    HD2  TYR   2           HD1      TYR   2  -3.921   1.416  -4.448
   16    HE1  TYR   2           HE2      TYR   2  -1.260  -0.271  -8.226
   17    HE2  TYR   2           HE1      TYR   2  -4.733   1.719  -6.749
   18    HH   TYR   2           HH       TYR   2  -4.304   0.405  -9.040
   19    HA   PRO   3           HA       PRO   3  -2.213   4.611  -0.939
   20    HB2  PRO   3           2HB      PRO   3  -0.642   6.752  -1.505
   21    HB3  PRO   3           3HB      PRO   3  -0.237   5.566  -0.259
   22    HG2  PRO   3           2HG      PRO   3   0.777   5.784  -3.068
   23    HG3  PRO   3           3HG      PRO   3   1.674   5.437  -1.578
   24    HD2  PRO   3           2HD      PRO   3   0.934   3.499  -3.318
   25    HD3  PRO   3           3HD      PRO   3   1.049   3.219  -1.568
   26    H    PHE   4           H        PHE   4  -1.930   4.095  -4.175
   27    HA   PHE   4           HA       PHE   4  -2.822   6.536  -5.291
   28    HB2  PHE   4           2HB      PHE   4  -3.290   3.762  -6.395
   29    HB3  PHE   4           3HB      PHE   4  -3.260   5.273  -7.297
   30    HD1  PHE   4           HD2      PHE   4  -1.198   2.840  -5.457
   31    HD2  PHE   4           HD1      PHE   4  -1.220   6.235  -8.023
   32    HE1  PHE   4           HE2      PHE   4   1.209   2.538  -5.872
   33    HE2  PHE   4           HE1      PHE   4   1.186   5.938  -8.443
   34    HZ   PHE   4           HZ       PHE   4   2.404   4.088  -7.366
   35    H    MET   5           H        MET   5  -4.920   4.117  -6.320
   36    HA   MET   5           HA       MET   5  -7.266   5.412  -5.977
   37    HB2  MET   5           2HB      MET   5  -6.481   2.664  -6.416
   38    HB3  MET   5           3HB      MET   5  -7.941   2.745  -5.439
   39    HG2  MET   5           2HG      MET   5  -8.793   4.379  -7.230
   40    HG3  MET   5           3HG      MET   5  -7.480   3.744  -8.219
   41    HE1  MET   5           3HE      MET   5 -10.281   2.868  -5.883
   42    HE2  MET   5           1HE      MET   5 -11.320   2.988  -7.303
   43    HE3  MET   5           2HE      MET   5 -11.040   1.420  -6.545
   44    H    TRP   6           H        TRP   6  -5.563   3.535  -3.539
   45    HA   TRP   6           HA       TRP   6  -7.374   3.147  -1.573
   46    HB2  TRP   6           2HB      TRP   6  -4.518   3.535  -1.682
   47    HB3  TRP   6           3HB      TRP   6  -5.172   4.255  -0.213
   48    HD1  TRP   6           HD1      TRP   6  -4.310   0.944  -1.759
   49    HE1  TRP   6           HE1      TRP   6  -4.852  -0.951  -0.103
   50    HE3  TRP   6           HE3      TRP   6  -6.957   3.620   1.701
   51    HZ2  TRP   6           HZ2      TRP   6  -6.221  -1.270   2.344
   52    HZ3  TRP   6           HZ3      TRP   6  -7.849   2.445   3.670
   53    HH2  TRP   6           HH2      TRP   6  -7.488   0.050   3.983
   54    H    GLY   7           H        GLY   7  -5.333   6.059  -1.379
   55    HA2  GLY   7           2HA      GLY   7  -7.561   7.437  -0.062
   56    HA3  GLY   7           3HA      GLY   7  -5.877   7.937  -0.034
   57    H    GLY   8           H        GLY   8  -6.363   7.147  -3.142
   58    HA2  GLY   8           2HA      GLY   8  -7.853   8.636  -4.634
   59    HA3  GLY   8           3HA      GLY   8  -6.978   9.939  -3.843
   60    H    ALA   9           H        ALA   9  -6.824   7.382  -6.186
   61    HA   ALA   9           HA       ALA   9  -4.149   7.218  -6.780
   62    HB1  ALA   9           1HB      ALA   9  -5.750   5.808  -7.880
   63    HB2  ALA   9           2HB      ALA   9  -6.487   7.196  -8.682
   64    HB3  ALA   9           3HB      ALA   9  -4.849   6.701  -9.106
   65    H    TYR  10           H        TYR  10  -2.645   8.528  -7.612
   66    HA   TYR  10           HA       TYR  10  -3.501  10.968  -9.005
   67    HB2  TYR  10           2HB      TYR  10  -1.232  11.776  -7.669
   68    HB3  TYR  10           3HB      TYR  10  -2.885  12.159  -7.201
   69    HD1  TYR  10           HD1      TYR  10  -1.114   8.898  -6.943
   70    HD2  TYR  10           HD2      TYR  10  -2.788  12.211  -4.864
   71    HE1  TYR  10           HE1      TYR  10  -0.776   7.722  -4.809
   72    HE2  TYR  10           HE2      TYR  10  -2.454  11.045  -2.725
   73    HH   TYR  10           HH       TYR  10  -0.696   9.079  -1.955
   74    H    CYS  11           H        CYS  11  -2.236   8.268  -9.671
   75    HA   CYS  11           HA       CYS  11  -0.011   9.371 -11.248
   76    HB2  CYS  11           2HB      CYS  11  -0.092   6.837  -9.632
   77    HB3  CYS  11           3HB      CYS  11   0.988   6.993 -11.012
   78    HG   CYS  11           HG       CYS  11   2.546   8.969  -9.985
   79    H    PHE  12           H        PHE  12  -0.809   6.009 -11.349
   80    HA   PHE  12           HA       PHE  12  -1.137   5.849 -14.076
   81    HB2  PHE  12           2HB      PHE  12  -2.049   3.662 -13.740
   82    HB3  PHE  12           3HB      PHE  12  -0.861   3.929 -12.468
   83    HD1  PHE  12           HD1      PHE  12  -2.363   5.550 -10.553
   84    HD2  PHE  12           HD2      PHE  12  -3.587   2.183 -12.851
   85    HE1  PHE  12           HE1      PHE  12  -4.061   5.012  -8.856
   86    HE2  PHE  12           HE2      PHE  12  -5.287   1.640 -11.158
   87    HZ   PHE  12           HZ       PHE  12  -5.527   3.056  -9.157
   88    H    CYS  13           H        CYS  13  -3.288   7.165 -11.791
   89    HA   CYS  13           HA       CYS  13  -5.538   7.016 -13.676
   90    HB2  CYS  13           2HB      CYS  13  -5.384   7.421 -10.703
   91    HB3  CYS  13           3HB      CYS  13  -6.812   7.922 -11.602
   92    HG   CYS  13           HG       CYS  13  -7.826   5.615 -10.963
   93    H    ASP  14           H        ASP  14  -3.170   9.099 -12.423
   94    HA   ASP  14           HA       ASP  14  -4.603  11.426 -13.526
   95    HB2  ASP  14           2HB      ASP  14  -3.379  11.055 -10.908
   96    HB3  ASP  14           3HB      ASP  14  -2.740  12.465 -11.748
   97    H    ALA  15           H        ALA  15  -1.366  10.184 -12.711
   98    HA   ALA  15           HA       ALA  15   0.248  11.901 -14.063
   99    HB1  ALA  15           1HB      ALA  15   1.681  10.404 -13.261
  100    HB2  ALA  15           2HB      ALA  15   0.435   9.157 -13.188
  101    HB3  ALA  15           3HB      ALA  15   1.337   9.415 -14.681
  102    H    GLU  16           H        GLU  16  -1.290   9.021 -15.501
  103    HA   GLU  16           HA       GLU  16  -0.461   9.768 -18.155
  104    HB2  GLU  16           2HB      GLU  16  -0.939   7.385 -17.121
  105    HB3  GLU  16           3HB      GLU  16  -2.580   7.722 -17.655
  106    HG2  GLU  16           2HG      GLU  16  -0.444   8.188 -19.633
  107    HG3  GLU  16           3HG      GLU  16  -0.743   6.512 -19.178
  108    H    ASN  17           H        ASN  17  -3.195  10.324 -16.130
  109    HA   ASN  17           HA       ASN  17  -5.146  10.810 -18.114
  110    HB2  ASN  17           2HB      ASN  17  -5.601  10.451 -15.670
  111    HB3  ASN  17           3HB      ASN  17  -4.992  12.076 -15.372
  112   HD21  ASN  17          1HD2      ASN  17  -7.505  11.426 -14.606
  113   HD22  ASN  17          2HD2      ASN  17  -8.662  12.232 -15.605
  114    H    THR  18           H        THR  18  -3.433  13.205 -16.097
  115    HA   THR  18           HA       THR  18  -3.914  15.225 -18.152
  116    HB   THR  18           HB       THR  18  -3.186  16.862 -16.496
  117    HG1  THR  18           HG1      THR  18  -1.818  16.123 -15.059
  118   HG21  THR  18          3HG2      THR  18  -5.226  14.836 -15.628
  119   HG22  THR  18          1HG2      THR  18  -5.484  16.435 -16.323
  120   HG23  THR  18          2HG2      THR  18  -4.897  16.277 -14.667
  Start of MODEL   19
    1    H1   VAL   1           H        VAL   1   2.554  -2.609  -1.810
    2    HA   VAL   1           HA       VAL   1   1.145  -1.133  -0.791
    3    HB   VAL   1           HB       VAL   1   3.273  -0.103   0.062
    4   HG11  VAL   1          1HG1      VAL   1   4.442   1.435  -1.082
    5   HG12  VAL   1          2HG1      VAL   1   3.609   0.773  -2.490
    6   HG13  VAL   1          3HG1      VAL   1   2.991   2.224  -1.699
    7   HG21  VAL   1          3HG2      VAL   1   1.904   2.309   0.047
    8   HG22  VAL   1          1HG2      VAL   1   0.646   1.093  -0.171
    9   HG23  VAL   1          2HG2      VAL   1   1.725   1.006   1.221
   10    H    TYR   2           H        TYR   2  -0.609  -0.059  -1.519
   11    HA   TYR   2           HA       TYR   2  -0.424   1.175  -4.190
   12    HB2  TYR   2           2HB      TYR   2  -1.753  -1.070  -3.819
   13    HB3  TYR   2           3HB      TYR   2  -2.992   0.009  -3.188
   14    HD1  TYR   2           HD2      TYR   2  -1.038  -0.889  -6.184
   15    HD2  TYR   2           HD1      TYR   2  -4.281   1.397  -4.645
   16    HE1  TYR   2           HE2      TYR   2  -1.796  -0.430  -8.478
   17    HE2  TYR   2           HE1      TYR   2  -5.048   1.861  -6.935
   18    HH   TYR   2           HH       TYR   2  -3.149   0.949  -9.730
   19    HA   PRO   3           HA       PRO   3  -1.919   4.290  -1.039
   20    HB2  PRO   3           2HB      PRO   3  -0.121   6.212  -1.705
   21    HB3  PRO   3           3HB      PRO   3   0.213   4.960  -0.503
   22    HG2  PRO   3           2HG      PRO   3   1.036   5.093  -3.378
   23    HG3  PRO   3           3HG      PRO   3   1.986   4.602  -1.964
   24    HD2  PRO   3           2HD      PRO   3   0.866   2.812  -3.658
   25    HD3  PRO   3           3HD      PRO   3   1.071   2.487  -1.925
   26    H    PHE   4           H        PHE   4  -1.982   3.785  -4.277
   27    HA   PHE   4           HA       PHE   4  -2.648   6.371  -5.266
   28    HB2  PHE   4           2HB      PHE   4  -3.416   3.702  -6.459
   29    HB3  PHE   4           3HB      PHE   4  -3.290   5.246  -7.297
   30    HD1  PHE   4           HD2      PHE   4  -1.363   2.577  -5.636
   31    HD2  PHE   4           HD1      PHE   4  -1.219   6.032  -8.117
   32    HE1  PHE   4           HE2      PHE   4   0.983   2.081  -6.184
   33    HE2  PHE   4           HE1      PHE   4   1.128   5.541  -8.671
   34    HZ   PHE   4           HZ       PHE   4   2.232   3.564  -7.703
   35    H    MET   5           H        MET   5  -5.003   4.220  -6.307
   36    HA   MET   5           HA       MET   5  -7.205   5.681  -5.791
   37    HB2  MET   5           2HB      MET   5  -6.687   2.891  -6.348
   38    HB3  MET   5           3HB      MET   5  -8.089   3.068  -5.301
   39    HG2  MET   5           2HG      MET   5  -9.020   4.695  -6.936
   40    HG3  MET   5           3HG      MET   5  -7.672   4.315  -8.004
   41    HE1  MET   5           3HE      MET   5 -10.941   3.629  -9.104
   42    HE2  MET   5           1HE      MET   5  -9.334   4.039  -9.706
   43    HE3  MET   5           2HE      MET   5 -10.055   2.481 -10.109
   44    H    TRP   6           H        TRP   6  -5.582   3.554  -3.504
   45    HA   TRP   6           HA       TRP   6  -7.321   3.271  -1.462
   46    HB2  TRP   6           2HB      TRP   6  -4.448   3.405  -1.698
   47    HB3  TRP   6           3HB      TRP   6  -4.969   4.117  -0.174
   48    HD1  TRP   6           HD1      TRP   6  -4.502   0.808  -1.896
   49    HE1  TRP   6           HE1      TRP   6  -5.131  -1.099  -0.286
   50    HE3  TRP   6           HE3      TRP   6  -6.686   3.565   1.815
   51    HZ2  TRP   6           HZ2      TRP   6  -6.388  -1.395   2.224
   52    HZ3  TRP   6           HZ3      TRP   6  -7.577   2.393   3.786
   53    HH2  TRP   6           HH2      TRP   6  -7.430  -0.036   3.985
   54    H    GLY   7           H        GLY   7  -5.008   5.970  -1.268
   55    HA2  GLY   7           2HA      GLY   7  -7.033   7.499   0.200
   56    HA3  GLY   7           3HA      GLY   7  -5.309   7.842   0.157
   57    H    GLY   8           H        GLY   8  -6.018   7.213  -2.945
   58    HA2  GLY   8           2HA      GLY   8  -7.428   8.881  -4.315
   59    HA3  GLY   8           3HA      GLY   8  -6.408  10.073  -3.523
   60    H    ALA   9           H        ALA   9  -6.578   7.591  -5.947
   61    HA   ALA   9           HA       ALA   9  -3.953   7.230  -6.671
   62    HB1  ALA   9           1HB      ALA   9  -5.696   5.981  -7.736
   63    HB2  ALA   9           2HB      ALA   9  -6.378   7.445  -8.447
   64    HB3  ALA   9           3HB      ALA   9  -4.804   6.856  -8.981
   65    H    TYR  10           H        TYR  10  -2.386   8.440  -7.537
   66    HA   TYR  10           HA       TYR  10  -3.105  10.985  -8.818
   67    HB2  TYR  10           2HB      TYR  10  -0.733  11.598  -7.595
   68    HB3  TYR  10           3HB      TYR  10  -2.324  12.035  -6.983
   69    HD1  TYR  10           HD1      TYR  10  -0.772   8.661  -7.017
   70    HD2  TYR  10           HD2      TYR  10  -1.985  11.989  -4.660
   71    HE1  TYR  10           HE1      TYR  10  -0.336   7.365  -4.973
   72    HE2  TYR  10           HE2      TYR  10  -1.550  10.703  -2.609
   73    HH   TYR  10           HH       TYR  10  -1.506   8.040  -2.083
   74    H    CYS  11           H        CYS  11  -2.110   8.216  -9.632
   75    HA   CYS  11           HA       CYS  11   0.127   9.182 -11.282
   76    HB2  CYS  11           2HB      CYS  11  -0.107   6.602  -9.757
   77    HB3  CYS  11           3HB      CYS  11   0.918   6.719 -11.182
   78    HG   CYS  11           HG       CYS  11   1.504   9.199  -9.057
   79    H    PHE  12           H        PHE  12  -0.956   5.910 -11.474
   80    HA   PHE  12           HA       PHE  12  -1.431   5.890 -14.181
   81    HB2  PHE  12           2HB      PHE  12  -2.519   3.780 -13.880
   82    HB3  PHE  12           3HB      PHE  12  -1.252   3.889 -12.662
   83    HD1  PHE  12           HD1      PHE  12  -2.502   5.549 -10.610
   84    HD2  PHE  12           HD2      PHE  12  -4.145   2.412 -12.972
   85    HE1  PHE  12           HE1      PHE  12  -4.157   5.094  -8.848
   86    HE2  PHE  12           HE2      PHE  12  -5.803   1.952 -11.213
   87    HZ   PHE  12           HZ       PHE  12  -5.812   3.294  -9.148
   88    H    CYS  13           H        CYS  13  -3.365   7.263 -11.730
   89    HA   CYS  13           HA       CYS  13  -5.700   7.395 -13.508
   90    HB2  CYS  13           2HB      CYS  13  -5.364   7.670 -10.535
   91    HB3  CYS  13           3HB      CYS  13  -6.782   8.333 -11.338
   92    HG   CYS  13           HG       CYS  13  -6.756   5.535 -10.078
   93    H    ASP  14           H        ASP  14  -3.102   9.221 -12.302
   94    HA   ASP  14           HA       ASP  14  -4.377  11.701 -13.256
   95    HB2  ASP  14           2HB      ASP  14  -3.072  11.128 -10.717
   96    HB3  ASP  14           3HB      ASP  14  -2.339  12.501 -11.542
   97    H    ALA  15           H        ALA  15  -1.209  10.195 -12.625
   98    HA   ALA  15           HA       ALA  15   0.503  11.777 -13.969
   99    HB1  ALA  15           1HB      ALA  15   0.429   8.994 -13.277
  100    HB2  ALA  15           2HB      ALA  15   1.217   9.210 -14.841
  101    HB3  ALA  15           3HB      ALA  15   1.816  10.073 -13.425
  102    H    GLU  16           H        GLU  16  -1.689   9.433 -15.474
  103    HA   GLU  16           HA       GLU  16  -0.978  10.538 -18.106
  104    HB2  GLU  16           2HB      GLU  16  -0.875   7.975 -17.476
  105    HB3  GLU  16           3HB      GLU  16  -2.600   8.048 -17.803
  106    HG2  GLU  16           2HG      GLU  16  -1.927   9.133 -20.029
  107    HG3  GLU  16           3HG      GLU  16  -0.313   8.518 -19.674
  108    H    ASN  17           H        ASN  17  -3.502  10.213 -15.787
  109    HA   ASN  17           HA       ASN  17  -5.406  11.413 -17.691
  110    HB2  ASN  17           2HB      ASN  17  -5.776   9.353 -15.558
  111    HB3  ASN  17           3HB      ASN  17  -7.102  10.461 -15.895
  112   HD21  ASN  17          1HD2      ASN  17  -7.459  10.729 -18.366
  113   HD22  ASN  17          2HD2      ASN  17  -7.551   9.246 -19.248
  114    H    THR  18           H        THR  18  -4.137  13.373 -16.886
  115    HA   THR  18           HA       THR  18  -4.293  14.370 -14.307
  116    HB   THR  18           HB       THR  18  -4.486  16.667 -15.725
  117    HG1  THR  18           HG1      THR  18  -4.557  16.057 -17.771
  118   HG21  THR  18          3HG2      THR  18  -1.852  15.412 -16.019
  119   HG22  THR  18          1HG2      THR  18  -2.524  15.312 -14.392
  120   HG23  THR  18          2HG2      THR  18  -2.317  16.884 -15.165
  Start of MODEL   20
    1    H1   VAL   1           H        VAL   1   2.807  -2.529  -1.688
    2    HA   VAL   1           HA       VAL   1   1.215  -1.113  -0.872
    3    HB   VAL   1           HB       VAL   1   3.331  -0.057  -0.020
    4   HG11  VAL   1          1HG1      VAL   1   4.477   1.500  -1.162
    5   HG12  VAL   1          2HG1      VAL   1   3.653   0.827  -2.570
    6   HG13  VAL   1          3HG1      VAL   1   3.014   2.268  -1.778
    7   HG21  VAL   1          3HG2      VAL   1   0.691   1.134  -0.272
    8   HG22  VAL   1          1HG2      VAL   1   1.744   1.003   1.138
    9   HG23  VAL   1          2HG2      VAL   1   1.953   2.335   0.002
   10    H    TYR   2           H        TYR   2  -0.554  -0.063  -1.599
   11    HA   TYR   2           HA       TYR   2  -0.387   1.179  -4.267
   12    HB2  TYR   2           2HB      TYR   2  -1.685  -1.085  -3.899
   13    HB3  TYR   2           3HB      TYR   2  -2.938  -0.024  -3.267
   14    HD1  TYR   2           HD2      TYR   2  -0.972  -0.889  -6.264
   15    HD2  TYR   2           HD1      TYR   2  -4.247   1.347  -4.721
   16    HE1  TYR   2           HE2      TYR   2  -1.737  -0.436  -8.558
   17    HE2  TYR   2           HE1      TYR   2  -5.021   1.805  -7.010
   18    HH   TYR   2           HH       TYR   2  -3.106   1.214  -9.750
   19    HA   PRO   3           HA       PRO   3  -1.923   4.267  -1.110
   20    HB2  PRO   3           2HB      PRO   3  -0.153   6.215  -1.772
   21    HB3  PRO   3           3HB      PRO   3   0.199   4.965  -0.573
   22    HG2  PRO   3           2HG      PRO   3   1.019   5.115  -3.448
   23    HG3  PRO   3           3HG      PRO   3   1.976   4.635  -2.035
   24    HD2  PRO   3           2HD      PRO   3   0.880   2.832  -3.732
   25    HD3  PRO   3           3HD      PRO   3   1.090   2.507  -2.000
   26    H    PHE   4           H        PHE   4  -1.983   3.766  -4.348
   27    HA   PHE   4           HA       PHE   4  -2.684   6.345  -5.332
   28    HB2  PHE   4           2HB      PHE   4  -3.417   3.668  -6.529
   29    HB3  PHE   4           3HB      PHE   4  -3.312   5.214  -7.364
   30    HD1  PHE   4           HD2      PHE   4  -1.349   2.569  -5.708
   31    HD2  PHE   4           HD1      PHE   4  -1.253   6.029  -8.185
   32    HE1  PHE   4           HE2      PHE   4   1.004   2.105  -6.259
   33    HE2  PHE   4           HE1      PHE   4   1.099   5.570  -8.741
   34    HZ   PHE   4           HZ       PHE   4   2.231   3.607  -7.777
   35    H    MET   5           H        MET   5  -5.011   4.166  -6.375
   36    HA   MET   5           HA       MET   5  -7.231   5.597  -5.855
   37    HB2  MET   5           2HB      MET   5  -6.677   2.815  -6.419
   38    HB3  MET   5           3HB      MET   5  -8.080   2.971  -5.370
   39    HG2  MET   5           2HG      MET   5  -8.338   4.909  -7.404
   40    HG3  MET   5           3HG      MET   5  -7.880   3.392  -8.175
   41    HE1  MET   5           3HE      MET   5 -10.365   5.567  -7.511
   42    HE2  MET   5           1HE      MET   5 -11.889   4.685  -7.408
   43    HE3  MET   5           2HE      MET   5 -10.986   5.059  -5.940
   44    H    TRP   6           H        TRP   6  -5.579   3.485  -3.574
   45    HA   TRP   6           HA       TRP   6  -7.312   3.173  -1.532
   46    HB2  TRP   6           2HB      TRP   6  -4.442   3.347  -1.770
   47    HB3  TRP   6           3HB      TRP   6  -4.970   4.051  -0.244
   48    HD1  TRP   6           HD1      TRP   6  -4.455   0.750  -1.966
   49    HE1  TRP   6           HE1      TRP   6  -5.059  -1.166  -0.357
   50    HE3  TRP   6           HE3      TRP   6  -6.686   3.474   1.742
   51    HZ2  TRP   6           HZ2      TRP   6  -6.316  -1.482   2.151
   52    HZ3  TRP   6           HZ3      TRP   6  -7.563   2.288   3.711
   53    HH2  TRP   6           HH2      TRP   6  -7.381  -0.139   3.909
   54    H    GLY   7           H        GLY   7  -5.038   5.906  -1.335
   55    HA2  GLY   7           2HA      GLY   7  -7.084   7.402   0.137
   56    HA3  GLY   7           3HA      GLY   7  -5.366   7.769   0.097
   57    H    GLY   8           H        GLY   8  -6.060   7.139  -3.007
   58    HA2  GLY   8           2HA      GLY   8  -7.495   8.793  -4.373
   59    HA3  GLY   8           3HA      GLY   8  -6.488   9.995  -3.579
   60    H    ALA   9           H        ALA   9  -6.631   7.517  -6.010
   61    HA   ALA   9           HA       ALA   9  -4.002   7.189  -6.736
   62    HB1  ALA   9           1HB      ALA   9  -4.848   6.805  -9.044
   63    HB2  ALA   9           2HB      ALA   9  -5.733   5.921  -7.801
   64    HB3  ALA   9           3HB      ALA   9  -6.429   7.377  -8.511
   65    H    TYR  10           H        TYR  10  -2.452   8.420  -7.602
   66    HA   TYR  10           HA       TYR  10  -3.204  10.957  -8.879
   67    HB2  TYR  10           2HB      TYR  10  -0.838  11.598  -7.658
   68    HB3  TYR  10           3HB      TYR  10  -2.434  12.015  -7.043
   69    HD1  TYR  10           HD1      TYR  10  -0.840   8.661  -7.083
   70    HD2  TYR  10           HD2      TYR  10  -2.093  11.970  -4.721
   71    HE1  TYR  10           HE1      TYR  10  -0.385   7.368  -5.040
   72    HE2  TYR  10           HE2      TYR  10  -1.641  10.687  -2.672
   73    HH   TYR  10           HH       TYR  10  -1.502   8.260  -2.014
   74    H    CYS  11           H        CYS  11  -2.174   8.203  -9.698
   75    HA   CYS  11           HA       CYS  11   0.047   9.199 -11.349
   76    HB2  CYS  11           2HB      CYS  11  -0.151   6.615  -9.826
   77    HB3  CYS  11           3HB      CYS  11   0.870   6.746 -11.252
   78    HG   CYS  11           HG       CYS  11   1.833   9.276  -9.687
   79    H    PHE  12           H        PHE  12  -0.993   5.913 -11.543
   80    HA   PHE  12           HA       PHE  12  -1.471   5.890 -14.249
   81    HB2  PHE  12           2HB      PHE  12  -2.531   3.765 -13.949
   82    HB3  PHE  12           3HB      PHE  12  -1.264   3.890 -12.733
   83    HD1  PHE  12           HD1      PHE  12  -2.533   5.531 -10.677
   84    HD2  PHE  12           HD2      PHE  12  -4.139   2.377 -13.041
   85    HE1  PHE  12           HE1      PHE  12  -4.180   5.052  -8.913
   86    HE2  PHE  12           HE2      PHE  12  -5.789   1.894 -11.282
   87    HZ   PHE  12           HZ       PHE  12  -5.812   3.232  -9.215
   88    H    CYS  13           H        CYS  13  -3.419   7.236 -11.795
   89    HA   CYS  13           HA       CYS  13  -5.758   7.338 -13.570
   90    HB2  CYS  13           2HB      CYS  13  -5.422   7.614 -10.597
   91    HB3  CYS  13           3HB      CYS  13  -6.850   8.261 -11.397
   92    HG   CYS  13           HG       CYS  13  -6.242   5.116 -12.287
   93    H    ASP  14           H        ASP  14  -3.183   9.197 -12.364
   94    HA   ASP  14           HA       ASP  14  -4.491  11.661 -13.314
   95    HB2  ASP  14           2HB      ASP  14  -3.177  11.103 -10.777
   96    HB3  ASP  14           3HB      ASP  14  -2.461  12.485 -11.601
   97    H    ALA  15           H        ALA  15  -1.303  10.194 -12.689
   98    HA   ALA  15           HA       ALA  15   0.386  11.801 -14.033
   99    HB1  ALA  15           1HB      ALA  15   1.723  10.113 -13.496
  100    HB2  ALA  15           2HB      ALA  15   0.350   9.016 -13.345
  101    HB3  ALA  15           3HB      ALA  15   1.129   9.243 -14.911
  102    H    GLU  16           H        GLU  16  -1.767   9.422 -15.542
  103    HA   GLU  16           HA       GLU  16  -1.068  10.531 -18.174
  104    HB2  GLU  16           2HB      GLU  16  -0.973   7.970 -17.536
  105    HB3  GLU  16           3HB      GLU  16  -2.698   8.048 -17.864
  106    HG2  GLU  16           2HG      GLU  16  -2.184   7.677 -19.987
  107    HG3  GLU  16           3HG      GLU  16  -1.576   9.331 -20.029
  108    H    ASN  17           H        ASN  17  -3.592  10.222 -15.854
  109    HA   ASN  17           HA       ASN  17  -5.486  11.437 -17.758
  110    HB2  ASN  17           2HB      ASN  17  -5.890   9.377 -15.622
  111    HB3  ASN  17           3HB      ASN  17  -7.212  10.471 -16.021
  112   HD21  ASN  17          1HD2      ASN  17  -4.779   8.537 -17.741
  113   HD22  ASN  17          2HD2      ASN  17  -5.878   7.880 -18.901
  114    H    THR  18           H        THR  18  -4.101  13.330 -16.837
  115    HA   THR  18           HA       THR  18  -4.675  14.238 -14.200
  116    HB   THR  18           HB       THR  18  -3.871  16.138 -16.366
  117    HG1  THR  18           HG1      THR  18  -1.638  15.265 -15.752
  118   HG21  THR  18          3HG2      THR  18  -2.508  15.884 -13.737
  119   HG22  THR  18          1HG2      THR  18  -4.153  16.515 -13.750
  120   HG23  THR  18          2HG2      THR  18  -2.891  17.326 -14.677