*HEADER    DE NOVO PROTEIN, ANTIMICROBIAL PROTEIN  11-AUG-15   2N63              
*TITLE     STRUCTURE OF C4VG16KRKP                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTIMICROBIAL PEPTIDE C4VG16KRKP;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    LIPIDATED PEPTIDE, DESIGNED ANTIMICROBIAL PEPTIDE, DE NOVO PROTEIN,   
*KEYWDS   2 ANTIMICROBIAL PROTEIN                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.BHUNIA, A.DATTA                                                     
*REVDAT   1   23-MAR-16 2N63    0                                                


# Torsion angle constraints 
# generated from CA secondary chemical shifts   
  2 VAL  PHI  -120   -30
  2 VAL  PSI  -120   120
  3 ALA  PHI  -120   -30
  3 ALA  PSI  -120   120
  4 ARG  PHI  -120   -30
  4 ARG  PSI  -120   120
  5 GLY  PHI  -120   -30
  5 GLY  PSI  -120   120
  6 TRP  PHI  -120   -30
  6 TRP  PSI  -120   120
  7 LYS  PHI  -120   -30
  7 LYS  PSI  -120   120
  8 ARG  PHI  -120   -30
  8 ARG  PSI  -120   120
  9 LYS  PHI -120   -30
  9 LYS  PSI -120   120
  10 CYS  PHI -120   -30
  10 CYS  PSI -120   120
  12 LEU  PHI -120   -30
  12 LEU  PSI -120   120
  13 PHE  PHI -120   -30
  13 PHE  PSI -120   120
  14 GLY  PHI -120   -30
  14 GLY  PSI -120   120
  15 LYS  PHI -120   -30
  15 LYS  PSI -120   120
  16 GLY  PHI -120   -30
  16 GLY  PSI -120   120
MET
VAL
ALA
ARG
GLY
TRP
LYS
ARG
LYS
CYS
PRO
LEU
PHE
GLY
LYS
GLY
GLY
2 VAL HA 3 ALA H  3.3 2.0
2 VAL HB 3 ALA H  3.8 2.0
2 VAL QQG 3 ALA H  4.0 2.0
3 ALA QB 3 ALA H  3.5 2.0
3 ALA HA 4 ARG H  3.5 2.0
3 ALA QB 4 ARG H  3.8 2.0
4 ARG QB 4 ARG H  3.5 2.0
4 ARG QG 4 ARG H  4.0 2.0
4 ARG QD 4 ARG H  4.0 2.0
4 ARG HA 5 GLY H  3.5 2.0
4 ARG QB 5 GLY H  3.5 2.0
4 ARG QG 5 GLY H  4.5 2.0
4 ARG QD 5 GLY H  4.5 2.0
5 GLY QA 6 TRP H  3.5 2.0
6 TRP HB2 6 TRP H  3.8 2.0
6 TRP HB3 6 TRP H  3.8 2.0
6 TRP HA 6 TRP HE3 4.0 2.0
6 TRP HA 6 TRP HD1 4.8 2.0
6 TRP QB 6 TRP HZ3 5.3 2.0
6 TRP QB 6 TRP HE3 3.8 2.0
6 TRP HA 7 LYS H  3.5 2.0
6 TRP QB 7 LYS H  3.8 2.0
7 LYS QB 7 LYS H  3.8 2.0
7 LYS QD 7 LYS H  3.8 2.0
7 LYS QG 7 LYS H  4.0 2.0
7 LYS HA 8 ARG H  3.5 2.0
7 LYS QB 8 ARG H  3.8 2.0
7 LYS QG 8 ARG H  4.5 2.0
7 LYS QD 8 ARG H  4.2 2.0
7 LYS QB 6 TRP HD1 4.5 2.0
7 LYS QG 6 TRP HD1 4.2 2.0
7 LYS QD 6 TRP HZ3 5.3 2.0
7 LYS QD 6 TRP HZ2 5.0 2.0
7 LYS QD 6 TRP HE3 5.0 2.0
7 LYS HA  6 TRP HE3 5.0 2.0
8 ARG QB 8 ARG H  3.5 2.0
8 ARG QG 8 ARG H  4.0 2.0
8 ARG QD 8 ARG H  4.0 2.0
8 ARG HA 9 LYS H  3.5 2.0
8 ARG QB 9 LYS H  4.5 2.0
8 ARG QG 9 LYS H  4.5 2.0
8 ARG QD 9 LYS H  4.8 2.0
9 LYS QB 9 LYS H  3.8 2.0
9 LYS QD 9 LYS H  3.8 2.0
9 LYS QG 9 LYS H  3.8  2.0
9 LYS HA 10 CYS H 3.5 2.0
9 LYS QB 10 CYS H 4.0 2.0
9 LYS QG 10 CYS H 4.5 2.0
9 LYS QD 10 CYS H 4.5 2.0
10 CYS HB2 10 CYS H 3.8 2.0
10 CYS HB3 10 CYS H 3.8 2.0
11 PRO QB 12 LEU H 5.0 2.0
11 PRO QG 12 LEU H 4.5 2.0
12 LEU QB 12 LEU H 3.5 2.0
12 LEU QG 12 LEU H 4.5 2.0
12 LEU QQD 12 LEU H 3.8 2.0
12 LEU HA 13 PHE H 3.5 2.0
12 LEU QB 13 PHE H 4.5 2.0
12 LEU QG 13 PHE H 4.8 2.0
12 LEU QQD 13 PHE H 4.9 2.0
12 LEU QQD  13 PHE QE 4.0 2.0
12 LEU QQD  13 PHE HD1 4.0 2.0
12 LEU QG 13 PHE QE 5.0 2.0
12 LEU QG 13 PHE HD1 5.0 2.0
12 LEU QB 13 PHE HD1  5.0 2.0
12 LEU QB 13 PHE QE 5.0 2.0
13 PHE HA 13 PHE QE 5.3 2.0
13 PHE HA  13 PHE QD 4.0 2.0
13 PHE HB2 13 PHE H 3.8 2.0
13 PHE HB3 13 PHE H 3.8 2.0
13 PHE HB2 13 PHE QD 4.5 2.0
13 PHE HB3 13 PHE QD 4.5 2.0
13 PHE HB3 13 PHE QE 5.0 2.0
13 PHE HB2 13 PHE QE 5.0 2.0
13 PHE HA 14 GLY H 3.5 2.0
13 PHE HB2 14 GLY H 5.0 2.0
13 PHE HB3 14 GLY H 5.0 2.0
14 GLY QA 15 LYS H 3.5 2.0
15 LYS QB 15 LYS H 3.8 2.0
15 LYS QG 15 LYS H 4.0 2.0
15 LYS QD 15 LYS H 4.0 2.0
15 LYS HA 16 GLY H 3.5 2.0
15 LYS QB 16 GLY H 4.0 2.0
15 LYS QG 16 GLY H 4.5 2.0
15 LYS QD 16 GLY H 4.8 2.0
16 GLY QA 17 GLY H 3.5 2.0
3 ALA H  4 ARG H  3.5 2.0
4 ARG H  5 GLY H  3.5 2.0
5 GLY H  6 TRP H  3.5 2.0
6 TRP H  7 LYS H  3.5 2.0
7 LYS H  8 ARG H  4.2 2.0
8 ARG H  9 LYS H  3.5  2.0
9 LYS H  10 CYS H 3.5 2.0
12 LEU H 13 PHE H 4.5 2.0
13 PHE H 14 GLY H 3.5 2.0
14 GLY H 15 LYS H 3.5 2.0
15 LYS H 16 GLY H 3.8 2.0
16 GLY H 17 GLY H 3.5  2.0
13 PHE QB 6 TRP HD1 4.5 2.0

12 LEU QQD  6 TRP HD1 4.5 2.0
12 LEU QG 6 TRP HD1 4.5 2.0
12 LEU QB 6 TRP HD1 4.8 2.0
2 VAL QQG 6 TRP HD1 3.5 2.0
2 VAL QQG  6 TRP HE3 5.0 2.0
2 VAL QQG 4 ARG H  5.0 2.0
2 VAL HA 4 ARG H  5.0 2.0
3 ALA HB 6 TRP H  5.3 2.0
3 ALA HB 6 TRP HD1 4.8 2.0
3 ALA HA 6 TRP HD1 3.8 2.0
15 LYS QD 6 TRP HD1 5.3 2.0
17 GLY QA 3 ALA H  4.5 2.0
17 GLY QA 12 LEU H 4.0 2.0

3 ALA QB 1 MET H  4.9 2.0

1 MET HE 10 CYS H 5.2 2.0

13 PHE HA 6 TRP HZ2 4.0 2.0

13 PHE HA 6 TRP HD1 3.8 2.0

6 TRP HA 13 PHE QE 5.3 2.0

6 TRP QB 13 PHE QD 4.5 2.0

6 TRP HD1 13 PHE QD 3.3 2.0

6 TRP QB 13 PHE H  5.0 2.0 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H21  PTL   1           H1       MET   1   1.522   0.000  -0.314
    2    H22  PTL   1           HA       MET   1   1.403   0.169  -2.055
    3    H31  PTL   1           2HB      MET   1   3.916   0.864  -0.535
    4    H32  PTL   1           3HB      MET   1   3.552   1.220  -2.218
    5    H41  PTL   1           2HG      MET   1   3.088   3.248  -1.354
    6    H42  PTL   1           3HG      MET   1   1.515   2.501  -1.088
    7    H51  PTL   1           H3       MET   1   2.151   1.959   1.205
    8    H52  PTL   1           H2       MET   1   2.264   3.707   0.888
    9    H53  PTL   1           H4       MET   1   3.740   2.714   0.935
   10    H    VAL   2           H        VAL   2   3.702  -0.649  -3.090
   11    HA   VAL   2           HA       VAL   2   3.736  -3.489  -2.436
   12    HB   VAL   2           HB       VAL   2   5.100  -2.056  -4.720
   13   HG11  VAL   2          1HG1      VAL   2   4.974  -4.857  -3.828
   14   HG12  VAL   2          2HG1      VAL   2   4.697  -4.596  -5.551
   15   HG13  VAL   2          3HG1      VAL   2   6.188  -4.026  -4.800
   16   HG21  VAL   2          3HG2      VAL   2   2.748  -1.727  -4.959
   17   HG22  VAL   2          1HG2      VAL   2   3.220  -3.008  -6.075
   18   HG23  VAL   2          2HG2      VAL   2   2.413  -3.411  -4.559
   19    H    ALA   3           H        ALA   3   5.571  -0.701  -1.831
   20    HA   ALA   3           HA       ALA   3   8.188  -1.702  -1.791
   21    HB1  ALA   3           3HB      ALA   3   7.912   0.637  -1.661
   22    HB2  ALA   3           1HB      ALA   3   6.862   0.513  -0.249
   23    HB3  ALA   3           2HB      ALA   3   8.582   0.147  -0.105
   24    H    ARG   4           H        ARG   4   5.528  -2.201   0.353
   25    HA   ARG   4           HA       ARG   4   6.808  -2.810   2.742
   26    HB2  ARG   4           2HB      ARG   4   4.293  -3.925   1.505
   27    HB3  ARG   4           3HB      ARG   4   4.822  -4.348   3.128
   28    HG2  ARG   4           2HG      ARG   4   4.373  -2.261   3.969
   29    HG3  ARG   4           3HG      ARG   4   4.546  -1.474   2.399
   30    HD2  ARG   4           2HD      ARG   4   2.396  -1.840   1.835
   31    HD3  ARG   4           3HD      ARG   4   2.368  -3.438   2.579
   32    HE   ARG   4           HE       ARG   4   2.435  -1.315   4.499
   33   HH11  ARG   4          1HH1      ARG   4   0.369  -3.203   2.429
   34   HH12  ARG   4          2HH1      ARG   4  -1.046  -2.955   3.397
   35   HH21  ARG   4          2HH2      ARG   4  -0.926  -1.691   5.303
   36   HH22  ARG   4          1HH2      ARG   4   0.578  -0.981   5.782
   37    H    GLY   5           H        GLY   5   6.099  -4.919  -0.028
   38    HA2  GLY   5           2HA      GLY   5   8.004  -6.871   1.113
   39    HA3  GLY   5           3HA      GLY   5   6.562  -7.351   0.230
   40    H    TRP   6           H        TRP   6   8.594  -4.656  -0.711
   41    HA   TRP   6           HA       TRP   6   9.499  -6.230  -3.033
   42    HB2  TRP   6           2HB      TRP   6   7.918  -4.665  -3.870
   43    HB3  TRP   6           3HB      TRP   6   8.576  -3.363  -2.883
   44    HD1  TRP   6           HD1      TRP   6   9.102  -1.770  -4.922
   45    HE1  TRP   6           HE1      TRP   6  10.871  -1.835  -6.791
   46    HE3  TRP   6           HE3      TRP   6  10.695  -6.596  -4.363
   47    HZ2  TRP   6           HZ2      TRP   6  12.699  -3.688  -7.884
   48    HZ3  TRP   6           HZ3      TRP   6  12.456  -7.437  -5.861
   49    HH2  TRP   6           HH2      TRP   6  13.436  -6.012  -7.585
   50    H    LYS   7           H        LYS   7  10.313  -2.976  -1.871
   51    HA   LYS   7           HA       LYS   7  13.143  -3.763  -1.897
   52    HB2  LYS   7           2HB      LYS   7  11.745  -1.120  -2.216
   53    HB3  LYS   7           3HB      LYS   7  13.455  -1.199  -1.811
   54    HG2  LYS   7           2HG      LYS   7  12.124  -2.290  -4.279
   55    HG3  LYS   7           3HG      LYS   7  13.227  -0.915  -4.176
   56    HD2  LYS   7           2HD      LYS   7  14.930  -2.573  -3.242
   57    HD3  LYS   7           3HD      LYS   7  13.834  -3.837  -3.806
   58    HE2  LYS   7           2HE      LYS   7  14.725  -3.666  -5.831
   59    HE3  LYS   7           3HE      LYS   7  14.132  -2.009  -5.930
   60    HZ1  LYS   7           3HZ      LYS   7  16.811  -2.989  -5.389
   61    HZ2  LYS   7           1HZ      LYS   7  16.319  -1.663  -4.460
   62    HZ3  LYS   7           2HZ      LYS   7  16.311  -1.562  -6.148
   63    H    ARG   8           H        ARG   8  11.762  -1.017  -0.192
   64    HA   ARG   8           HA       ARG   8  12.767  -2.167   2.326
   65    HB2  ARG   8           2HB      ARG   8  12.548   0.702   1.416
   66    HB3  ARG   8           3HB      ARG   8  12.877   0.246   3.082
   67    HG2  ARG   8           2HG      ARG   8  14.584  -0.439   0.697
   68    HG3  ARG   8           3HG      ARG   8  14.921   0.815   1.893
   69    HD2  ARG   8           2HD      ARG   8  14.565  -1.335   3.498
   70    HD3  ARG   8           3HD      ARG   8  15.239  -2.107   2.062
   71    HE   ARG   8           HE       ARG   8  17.260  -1.134   2.528
   72   HH11  ARG   8          1HH1      ARG   8  14.777   0.419   4.411
   73   HH12  ARG   8          2HH1      ARG   8  15.894   1.339   5.364
   74   HH21  ARG   8          2HH2      ARG   8  18.147   1.143   5.001
   75   HH22  ARG   8          1HH2      ARG   8  18.740   0.073   3.776
   76    H    LYS   9           H        LYS   9  11.020   0.713   2.635
   77    HA   LYS   9           HA       LYS   9   8.592  -0.762   3.420
   78    HB2  LYS   9           2HB      LYS   9   8.479   1.390   5.044
   79    HB3  LYS   9           3HB      LYS   9   9.202  -0.144   5.513
   80    HG2  LYS   9           2HG      LYS   9  10.922   1.876   4.174
   81    HG3  LYS   9           3HG      LYS   9  10.464   2.136   5.859
   82    HD2  LYS   9           2HD      LYS   9  11.592  -0.488   4.940
   83    HD3  LYS   9           3HD      LYS   9  12.646   0.861   5.367
   84    HE2  LYS   9           2HE      LYS   9  11.695   0.946   7.589
   85    HE3  LYS   9           3HE      LYS   9  10.532  -0.311   7.171
   86    HZ1  LYS   9           3HZ      LYS   9  12.083  -1.929   7.338
   87    HZ2  LYS   9           1HZ      LYS   9  12.804  -0.828   8.400
   88    HZ3  LYS   9           2HZ      LYS   9  13.354  -0.948   6.805
   89    H    CYS  10           H        CYS  10   9.577   2.649   3.061
   90    HA   CYS  10           HA       CYS  10   7.023   3.366   1.975
   91    HB2  CYS  10           2HB      CYS  10   9.439   4.750   2.872
   92    HB3  CYS  10           3HB      CYS  10   8.705   5.495   1.457
   93    HG   CYS  10           HG       CYS  10   6.653   4.742   4.035
   94    HA   PRO  11           HA       PRO  11   9.506   4.067  -2.094
   95    HB2  PRO  11           2HB      PRO  11  12.109   3.298  -2.139
   96    HB3  PRO  11           3HB      PRO  11  11.593   4.911  -1.633
   97    HG2  PRO  11           2HG      PRO  11  12.323   2.543   0.046
   98    HG3  PRO  11           3HG      PRO  11  12.763   4.247   0.263
   99    HD2  PRO  11           2HD      PRO  11  10.776   3.064   1.672
  100    HD3  PRO  11           3HD      PRO  11  10.733   4.780   1.216
  101    H    LEU  12           H        LEU  12   9.127   2.646  -3.685
  102    HA   LEU  12           HA       LEU  12   9.595  -0.209  -3.128
  103    HB2  LEU  12           2HB      LEU  12   7.794  -0.367  -5.056
  104    HB3  LEU  12           3HB      LEU  12   7.341  -0.186  -3.362
  105    HG   LEU  12           HG       LEU  12   7.622   2.233  -5.099
  106   HD11  LEU  12          1HD1      LEU  12   6.159   1.109  -6.478
  107   HD12  LEU  12          2HD1      LEU  12   5.054   1.919  -5.369
  108   HD13  LEU  12          3HD1      LEU  12   5.427   0.210  -5.149
  109   HD21  LEU  12          3HD2      LEU  12   6.327   1.493  -2.526
  110   HD22  LEU  12          1HD2      LEU  12   5.587   2.758  -3.507
  111   HD23  LEU  12          2HD2      LEU  12   7.253   2.932  -2.955
  112    H    PHE  13           H        PHE  13   8.618   0.985  -6.242
  113    HA   PHE  13           HA       PHE  13  11.125  -0.003  -7.374
  114    HB2  PHE  13           2HB      PHE  13   8.568   0.802  -8.776
  115    HB3  PHE  13           3HB      PHE  13   9.955   0.009  -9.517
  116    HD1  PHE  13           HD1      PHE  13   7.314  -0.438  -6.954
  117    HD2  PHE  13           HD2      PHE  13  10.128  -2.316  -9.537
  118    HE1  PHE  13           HE1      PHE  13   6.338  -2.632  -6.417
  119    HE2  PHE  13           HE2      PHE  13   9.156  -4.513  -9.005
  120    HZ   PHE  13           HZ       PHE  13   7.258  -4.673  -7.444
  121    H    GLY  14           H        GLY  14   9.165   2.384  -8.992
  122    HA2  GLY  14           2HA      GLY  14  11.346   4.349  -8.647
  123    HA3  GLY  14           3HA      GLY  14  10.586   4.060 -10.205
  124    H    LYS  15           H        LYS  15   8.169   3.753  -8.035
  125    HA   LYS  15           HA       LYS  15   7.073   6.329  -8.694
  126    HB2  LYS  15           2HB      LYS  15   5.953   4.225  -6.836
  127    HB3  LYS  15           3HB      LYS  15   5.071   5.560  -7.566
  128    HG2  LYS  15           2HG      LYS  15   4.466   4.058  -9.100
  129    HG3  LYS  15           3HG      LYS  15   6.084   4.305  -9.761
  130    HD2  LYS  15           2HD      LYS  15   6.721   2.463  -7.986
  131    HD3  LYS  15           3HD      LYS  15   5.012   2.047  -8.138
  132    HE2  LYS  15           2HE      LYS  15   6.346   0.727  -9.678
  133    HE3  LYS  15           3HE      LYS  15   5.294   1.828 -10.565
  134    HZ1  LYS  15           3HZ      LYS  15   7.069   2.642 -11.576
  135    HZ2  LYS  15           1HZ      LYS  15   8.080   1.599 -10.709
  136    HZ3  LYS  15           2HZ      LYS  15   7.721   3.132 -10.093
  137    H    GLY  16           H        GLY  16   5.807   5.767  -5.761
  138    HA2  GLY  16           2HA      GLY  16   7.788   7.487  -4.399
  139    HA3  GLY  16           3HA      GLY  16   6.055   7.725  -4.236
  140    H    GLY  17           H        GLY  17   4.866   6.401  -2.877
  141    HA2  GLY  17           2HA      GLY  17   5.454   4.003  -1.756
  142    HA3  GLY  17           3HA      GLY  17   6.401   5.127  -0.792
  Start of MODEL    2
    1    H21  PTL   1           H1       MET   1   1.971  -0.192   0.482
    2    H22  PTL   1           HA       MET   1   1.635   0.066  -1.219
    3    H31  PTL   1           2HB      MET   1   4.052   0.902  -1.434
    4    H32  PTL   1           3HB      MET   1   2.894   1.954  -0.630
    5    H41  PTL   1           2HG      MET   1   4.215   0.181   1.236
    6    H42  PTL   1           3HG      MET   1   5.362   1.163   0.326
    7    H51  PTL   1           H3       MET   1   4.161   3.184   0.981
    8    H52  PTL   1           H2       MET   1   4.709   2.259   2.399
    9    H53  PTL   1           H4       MET   1   3.002   2.192   1.897
   10    H    VAL   2           H        VAL   2   3.658  -0.689  -2.647
   11    HA   VAL   2           HA       VAL   2   3.855  -3.539  -2.163
   12    HB   VAL   2           HB       VAL   2   4.933  -1.899  -4.461
   13   HG11  VAL   2          1HG1      VAL   2   6.117  -3.791  -4.786
   14   HG12  VAL   2          2HG1      VAL   2   5.045  -4.762  -3.774
   15   HG13  VAL   2          3HG1      VAL   2   4.593  -4.391  -5.437
   16   HG21  VAL   2          3HG2      VAL   2   2.814  -1.738  -5.122
   17   HG22  VAL   2          1HG2      VAL   2   2.810  -3.490  -5.321
   18   HG23  VAL   2          2HG2      VAL   2   2.264  -2.775  -3.804
   19    H    ALA   3           H        ALA   3   5.754  -0.763  -1.610
   20    HA   ALA   3           HA       ALA   3   8.353  -1.777  -1.870
   21    HB1  ALA   3           3HB      ALA   3   8.062   0.566  -1.625
   22    HB2  ALA   3           1HB      ALA   3   7.231   0.368  -0.081
   23    HB3  ALA   3           2HB      ALA   3   8.954   0.010  -0.208
   24    H    ARG   4           H        ARG   4   6.044  -1.942   0.791
   25    HA   ARG   4           HA       ARG   4   7.671  -2.868   2.824
   26    HB2  ARG   4           2HB      ARG   4   4.826  -3.703   2.228
   27    HB3  ARG   4           3HB      ARG   4   5.649  -3.908   3.769
   28    HG2  ARG   4           2HG      ARG   4   5.534  -1.679   4.287
   29    HG3  ARG   4           3HG      ARG   4   5.457  -1.180   2.595
   30    HD2  ARG   4           2HD      ARG   4   3.292  -0.801   3.275
   31    HD3  ARG   4           3HD      ARG   4   3.169  -2.438   2.632
   32    HE   ARG   4           HE       ARG   4   2.682  -3.181   4.736
   33   HH11  ARG   4          1HH1      ARG   4   4.122  -0.019   4.962
   34   HH12  ARG   4          2HH1      ARG   4   3.835   0.133   6.664
   35   HH21  ARG   4          2HH2      ARG   4   2.801  -1.559   7.810
   36   HH22  ARG   4          1HH2      ARG   4   2.301  -2.993   6.977
   37    H    GLY   5           H        GLY   5   6.423  -4.564   0.033
   38    HA2  GLY   5           2HA      GLY   5   7.815  -6.998   0.968
   39    HA3  GLY   5           3HA      GLY   5   6.344  -7.043   0.007
   40    H    TRP   6           H        TRP   6   8.533  -4.579  -0.857
   41    HA   TRP   6           HA       TRP   6   9.528  -6.222  -3.092
   42    HB2  TRP   6           2HB      TRP   6   7.992  -4.711  -4.063
   43    HB3  TRP   6           3HB      TRP   6   8.546  -3.374  -3.060
   44    HD1  TRP   6           HD1      TRP   6   9.182  -1.775  -5.048
   45    HE1  TRP   6           HE1      TRP   6  11.049  -1.816  -6.820
   46    HE3  TRP   6           HE3      TRP   6  10.802  -6.581  -4.410
   47    HZ2  TRP   6           HZ2      TRP   6  12.955  -3.644  -7.816
   48    HZ3  TRP   6           HZ3      TRP   6  12.651  -7.398  -5.813
   49    HH2  TRP   6           HH2      TRP   6  13.704  -5.959  -7.480
   50    H    LYS   7           H        LYS   7  10.254  -2.964  -1.847
   51    HA   LYS   7           HA       LYS   7  13.102  -3.699  -1.843
   52    HB2  LYS   7           2HB      LYS   7  11.665  -1.085  -2.198
   53    HB3  LYS   7           3HB      LYS   7  13.354  -1.119  -1.711
   54    HG2  LYS   7           2HG      LYS   7  12.166  -2.213  -4.250
   55    HG3  LYS   7           3HG      LYS   7  13.254  -0.833  -4.077
   56    HD2  LYS   7           2HD      LYS   7  14.914  -2.496  -3.068
   57    HD3  LYS   7           3HD      LYS   7  13.859  -3.755  -3.715
   58    HE2  LYS   7           2HE      LYS   7  15.404  -3.479  -5.415
   59    HE3  LYS   7           3HE      LYS   7  14.077  -2.444  -5.941
   60    HZ1  LYS   7           3HZ      LYS   7  16.070  -1.228  -6.217
   61    HZ2  LYS   7           1HZ      LYS   7  16.618  -1.608  -4.662
   62    HZ3  LYS   7           2HZ      LYS   7  15.298  -0.568  -4.864
   63    H    ARG   8           H        ARG   8  11.613  -1.000  -0.148
   64    HA   ARG   8           HA       ARG   8  12.557  -2.165   2.388
   65    HB2  ARG   8           2HB      ARG   8  12.360   0.723   1.530
   66    HB3  ARG   8           3HB      ARG   8  12.701   0.217   3.179
   67    HG2  ARG   8           2HG      ARG   8  14.813   0.597   2.383
   68    HG3  ARG   8           3HG      ARG   8  14.637  -1.128   2.057
   69    HD2  ARG   8           2HD      ARG   8  14.852  -0.808  -0.135
   70    HD3  ARG   8           3HD      ARG   8  13.612   0.446  -0.131
   71    HE   ARG   8           HE       ARG   8  15.949   1.555   0.910
   72   HH11  ARG   8          1HH1      ARG   8  14.776   0.247  -2.095
   73   HH12  ARG   8          2HH1      ARG   8  15.809   1.232  -3.078
   74   HH21  ARG   8          2HH2      ARG   8  17.252   2.715  -2.097
   75   HH22  ARG   8          1HH2      ARG   8  17.314   2.857  -0.373
   76    H    LYS   9           H        LYS   9  10.866   0.709   2.772
   77    HA   LYS   9           HA       LYS   9   8.377  -0.738   3.403
   78    HB2  LYS   9           2HB      LYS   9   8.108   1.080   5.202
   79    HB3  LYS   9           3HB      LYS   9   9.258  -0.215   5.509
   80    HG2  LYS   9           2HG      LYS   9  11.031   1.361   4.588
   81    HG3  LYS   9           3HG      LYS   9   9.813   2.629   4.738
   82    HD2  LYS   9           2HD      LYS   9  10.296   0.875   7.088
   83    HD3  LYS   9           3HD      LYS   9  11.519   2.086   6.694
   84    HE2  LYS   9           2HE      LYS   9   8.592   2.730   6.984
   85    HE3  LYS   9           3HE      LYS   9   9.732   2.807   8.326
   86    HZ1  LYS   9           3HZ      LYS   9   9.357   4.632   6.132
   87    HZ2  LYS   9           1HZ      LYS   9  10.979   4.236   6.407
   88    HZ3  LYS   9           2HZ      LYS   9  10.047   4.897   7.654
   89    H    CYS  10           H        CYS  10   9.667   2.539   2.837
   90    HA   CYS  10           HA       CYS  10   7.089   3.423   1.844
   91    HB2  CYS  10           2HB      CYS  10   9.518   4.687   2.833
   92    HB3  CYS  10           3HB      CYS  10   8.924   5.458   1.368
   93    HG   CYS  10           HG       CYS  10   7.238   6.926   2.610
   94    HA   PRO  11           HA       PRO  11   9.625   4.068  -2.190
   95    HB2  PRO  11           2HB      PRO  11  12.233   3.315  -2.199
   96    HB3  PRO  11           3HB      PRO  11  11.700   4.926  -1.707
   97    HG2  PRO  11           2HG      PRO  11  12.423   2.570  -0.009
   98    HG3  PRO  11           3HG      PRO  11  12.850   4.278   0.206
   99    HD2  PRO  11           2HD      PRO  11  10.852   3.089   1.595
  100    HD3  PRO  11           3HD      PRO  11  10.806   4.802   1.132
  101    H    LEU  12           H        LEU  12   9.127   2.621  -3.708
  102    HA   LEU  12           HA       LEU  12   9.677  -0.221  -3.167
  103    HB2  LEU  12           2HB      LEU  12   7.848  -0.393  -5.077
  104    HB3  LEU  12           3HB      LEU  12   7.425  -0.242  -3.373
  105    HG   LEU  12           HG       LEU  12   7.639   2.210  -5.071
  106   HD11  LEU  12          1HD1      LEU  12   6.178   1.122  -6.465
  107   HD12  LEU  12          2HD1      LEU  12   5.061   1.833  -5.300
  108   HD13  LEU  12          3HD1      LEU  12   5.505   0.131  -5.169
  109   HD21  LEU  12          3HD2      LEU  12   5.607   2.661  -3.452
  110   HD22  LEU  12          1HD2      LEU  12   7.274   2.860  -2.912
  111   HD23  LEU  12          2HD2      LEU  12   6.383   1.393  -2.502
  112    H    PHE  13           H        PHE  13   8.656   1.010  -6.264
  113    HA   PHE  13           HA       PHE  13  11.149   0.019  -7.434
  114    HB2  PHE  13           2HB      PHE  13   8.569   0.808  -8.803
  115    HB3  PHE  13           3HB      PHE  13   9.949   0.019  -9.559
  116    HD1  PHE  13           HD1      PHE  13   7.319  -0.428  -6.990
  117    HD2  PHE  13           HD2      PHE  13  10.154  -2.308  -9.548
  118    HE1  PHE  13           HE1      PHE  13   6.358  -2.625  -6.436
  119    HE2  PHE  13           HE2      PHE  13   9.198  -4.508  -8.999
  120    HZ   PHE  13           HZ       PHE  13   7.296  -4.668  -7.442
  121    H    GLY  14           H        GLY  14   9.135   2.405  -8.998
  122    HA2  GLY  14           2HA      GLY  14  11.315   4.376  -8.699
  123    HA3  GLY  14           3HA      GLY  14  10.519   4.092 -10.240
  124    H    LYS  15           H        LYS  15   8.137   3.757  -8.056
  125    HA   LYS  15           HA       LYS  15   7.033   6.343  -8.652
  126    HB2  LYS  15           2HB      LYS  15   5.932   4.213  -6.814
  127    HB3  LYS  15           3HB      LYS  15   5.044   5.554  -7.525
  128    HG2  LYS  15           2HG      LYS  15   4.432   4.066  -9.071
  129    HG3  LYS  15           3HG      LYS  15   6.047   4.319  -9.738
  130    HD2  LYS  15           2HD      LYS  15   6.691   2.461  -7.981
  131    HD3  LYS  15           3HD      LYS  15   4.982   2.046  -8.131
  132    HE2  LYS  15           2HE      LYS  15   6.309   0.741  -9.688
  133    HE3  LYS  15           3HE      LYS  15   5.256   1.852 -10.562
  134    HZ1  LYS  15           3HZ      LYS  15   8.045   1.624 -10.709
  135    HZ2  LYS  15           1HZ      LYS  15   7.679   3.155 -10.089
  136    HZ3  LYS  15           2HZ      LYS  15   7.030   2.666 -11.572
  137    H    GLY  16           H        GLY  16   5.794   5.741  -5.721
  138    HA2  GLY  16           2HA      GLY  16   7.799   7.420  -4.344
  139    HA3  GLY  16           3HA      GLY  16   6.070   7.678  -4.170
  140    H    GLY  17           H        GLY  17   4.875   6.366  -2.813
  141    HA2  GLY  17           2HA      GLY  17   5.487   3.934  -1.731
  142    HA3  GLY  17           3HA      GLY  17   6.376   5.074  -0.731
  Start of MODEL    3
    1    H21  PTL   1           HA2      MET   1   1.392  -0.362  -0.519
    2    H22  PTL   1           HA3      MET   1   2.745   0.156   0.529
    3    H31  PTL   1           2HB      MET   1   0.341  -1.508   1.213
    4    H32  PTL   1           3HB      MET   1   1.812  -1.633   2.169
    5    H41  PTL   1           2HG      MET   1   0.817   1.095   1.677
    6    H42  PTL   1           3HG      MET   1  -0.183   0.073   2.708
    7    H51  PTL   1           2        MET   1   1.223   1.138   4.212
    8    H52  PTL   1           3        MET   1   2.013  -0.435   3.955
    9    H53  PTL   1           H1       MET   1   2.628   1.013   3.126
   10    H    VAL   2           H        VAL   2   3.086  -1.122  -1.983
   11    HA   VAL   2           HA       VAL   2   3.724  -3.898  -1.493
   12    HB   VAL   2           HB       VAL   2   2.932  -2.855  -3.725
   13   HG11  VAL   2          1HG1      VAL   2   5.863  -2.483  -4.211
   14   HG12  VAL   2          2HG1      VAL   2   4.492  -1.882  -5.146
   15   HG13  VAL   2          3HG1      VAL   2   4.880  -1.162  -3.583
   16   HG21  VAL   2          3HG2      VAL   2   5.325  -4.622  -4.040
   17   HG22  VAL   2          1HG2      VAL   2   3.891  -5.208  -3.199
   18   HG23  VAL   2          2HG2      VAL   2   3.775  -4.679  -4.878
   19    H    ALA   3           H        ALA   3   5.356  -0.844  -1.435
   20    HA   ALA   3           HA       ALA   3   7.995  -1.554  -1.860
   21    HB1  ALA   3           3HB      ALA   3   8.374   0.321  -0.033
   22    HB2  ALA   3           1HB      ALA   3   7.773   0.703  -1.647
   23    HB3  ALA   3           2HB      ALA   3   6.648   0.579  -0.295
   24    H    ARG   4           H        ARG   4   5.960  -2.138   0.915
   25    HA   ARG   4           HA       ARG   4   8.003  -2.761   2.770
   26    HB2  ARG   4           2HB      ARG   4   6.283  -3.592   4.171
   27    HB3  ARG   4           3HB      ARG   4   5.575  -2.248   3.285
   28    HG2  ARG   4           2HG      ARG   4   4.748  -4.067   1.649
   29    HG3  ARG   4           3HG      ARG   4   5.084  -5.179   2.977
   30    HD2  ARG   4           2HD      ARG   4   3.552  -2.750   3.660
   31    HD3  ARG   4           3HD      ARG   4   2.727  -3.927   2.638
   32    HE   ARG   4           HE       ARG   4   3.349  -4.195   5.419
   33   HH11  ARG   4          1HH1      ARG   4   2.824  -5.941   2.454
   34   HH12  ARG   4          2HH1      ARG   4   2.334  -7.401   3.248
   35   HH21  ARG   4          2HH2      ARG   4   2.265  -7.497   5.536
   36   HH22  ARG   4          1HH2      ARG   4   2.705  -6.111   6.476
   37    H    GLY   5           H        GLY   5   6.405  -4.584   0.258
   38    HA2  GLY   5           2HA      GLY   5   7.913  -6.985   1.089
   39    HA3  GLY   5           3HA      GLY   5   6.400  -7.030   0.196
   40    H    TRP   6           H        TRP   6   8.591  -4.583  -0.749
   41    HA   TRP   6           HA       TRP   6   9.444  -6.222  -3.046
   42    HB2  TRP   6           2HB      TRP   6   7.900  -4.659  -3.922
   43    HB3  TRP   6           3HB      TRP   6   8.544  -3.349  -2.937
   44    HD1  TRP   6           HD1      TRP   6   9.111  -1.757  -4.957
   45    HE1  TRP   6           HE1      TRP   6  10.889  -1.832  -6.815
   46    HE3  TRP   6           HE3      TRP   6  10.655  -6.599  -4.406
   47    HZ2  TRP   6           HZ2      TRP   6  12.706  -3.697  -7.904
   48    HZ3  TRP   6           HZ3      TRP   6  12.417  -7.452  -5.895
   49    HH2  TRP   6           HH2      TRP   6  13.421  -6.030  -7.608
   50    H    LYS   7           H        LYS   7  10.321  -2.976  -1.893
   51    HA   LYS   7           HA       LYS   7  13.141  -3.800  -1.981
   52    HB2  LYS   7           2HB      LYS   7  11.765  -1.148  -2.295
   53    HB3  LYS   7           3HB      LYS   7  13.472  -1.228  -1.878
   54    HG2  LYS   7           2HG      LYS   7  12.152  -2.313  -4.355
   55    HG3  LYS   7           3HG      LYS   7  13.271  -0.952  -4.243
   56    HD2  LYS   7           2HD      LYS   7  14.954  -2.619  -3.307
   57    HD3  LYS   7           3HD      LYS   7  13.843  -3.879  -3.850
   58    HE2  LYS   7           2HE      LYS   7  15.013  -3.759  -5.766
   59    HE3  LYS   7           3HE      LYS   7  14.012  -2.342  -6.077
   60    HZ1  LYS   7           3HZ      LYS   7  15.913  -1.164  -4.745
   61    HZ2  LYS   7           1HZ      LYS   7  16.077  -1.473  -6.400
   62    HZ3  LYS   7           2HZ      LYS   7  16.824  -2.488  -5.273
   63    H    ARG   8           H        ARG   8  11.807  -1.047  -0.244
   64    HA   ARG   8           HA       ARG   8  12.874  -2.197   2.249
   65    HB2  ARG   8           2HB      ARG   8  12.570   0.677   1.375
   66    HB3  ARG   8           3HB      ARG   8  12.982   0.202   3.018
   67    HG2  ARG   8           2HG      ARG   8  14.594  -0.419   0.550
   68    HG3  ARG   8           3HG      ARG   8  14.957   0.833   1.741
   69    HD2  ARG   8           2HD      ARG   8  14.801  -1.230   3.398
   70    HD3  ARG   8           3HD      ARG   8  15.223  -2.120   1.935
   71    HE   ARG   8           HE       ARG   8  16.947  -0.467   3.492
   72   HH11  ARG   8          1HH1      ARG   8  16.298  -1.573   0.256
   73   HH12  ARG   8          2HH1      ARG   8  17.931  -1.364  -0.283
   74   HH21  ARG   8          2HH2      ARG   8  19.524  -0.577   1.162
   75   HH22  ARG   8          1HH2      ARG   8  19.100  -0.187   2.795
   76    H    LYS   9           H        LYS   9  11.115   0.643   2.672
   77    HA   LYS   9           HA       LYS   9   8.718  -0.870   3.480
   78    HB2  LYS   9           2HB      LYS   9  10.035   1.465   4.874
   79    HB3  LYS   9           3HB      LYS   9   8.453   0.828   5.303
   80    HG2  LYS   9           2HG      LYS   9   9.676  -0.327   6.805
   81    HG3  LYS   9           3HG      LYS   9   9.860  -1.434   5.443
   82    HD2  LYS   9           2HD      LYS   9  11.935   0.053   4.887
   83    HD3  LYS   9           3HD      LYS   9  11.817   0.516   6.586
   84    HE2  LYS   9           2HE      LYS   9  11.713  -2.031   7.025
   85    HE3  LYS   9           3HE      LYS   9  12.363  -2.178   5.393
   86    HZ1  LYS   9           3HZ      LYS   9  14.021  -2.115   7.281
   87    HZ2  LYS   9           1HZ      LYS   9  13.646  -0.474   7.444
   88    HZ3  LYS   9           2HZ      LYS   9  14.307  -1.051   5.999
   89    H    CYS  10           H        CYS  10   9.628   2.565   3.167
   90    HA   CYS  10           HA       CYS  10   7.046   3.259   2.150
   91    HB2  CYS  10           2HB      CYS  10   9.470   4.662   2.991
   92    HB3  CYS  10           3HB      CYS  10   8.689   5.412   1.604
   93    HG   CYS  10           HG       CYS  10   8.030   6.271   4.444
   94    HA   PRO  11           HA       PRO  11   9.393   4.034  -1.984
   95    HB2  PRO  11           2HB      PRO  11  12.005   3.306  -2.116
   96    HB3  PRO  11           3HB      PRO  11  11.480   4.906  -1.579
   97    HG2  PRO  11           2HG      PRO  11  12.297   2.533   0.054
   98    HG3  PRO  11           3HG      PRO  11  12.717   4.242   0.275
   99    HD2  PRO  11           2HD      PRO  11  10.792   3.015   1.730
  100    HD3  PRO  11           3HD      PRO  11  10.709   4.733   1.294
  101    H    LEU  12           H        LEU  12   9.102   2.636  -3.631
  102    HA   LEU  12           HA       LEU  12   9.552  -0.224  -3.085
  103    HB2  LEU  12           2HB      LEU  12   7.772  -0.377  -5.028
  104    HB3  LEU  12           3HB      LEU  12   7.298  -0.193  -3.340
  105    HG   LEU  12           HG       LEU  12   7.614   2.237  -5.050
  106   HD11  LEU  12          1HD1      LEU  12   5.018   1.855  -5.351
  107   HD12  LEU  12          2HD1      LEU  12   5.501   0.162  -5.279
  108   HD13  LEU  12          3HD1      LEU  12   6.188   1.221  -6.509
  109   HD21  LEU  12          3HD2      LEU  12   6.164   1.445  -2.564
  110   HD22  LEU  12          1HD2      LEU  12   5.551   2.779  -3.543
  111   HD23  LEU  12          2HD2      LEU  12   7.182   2.852  -2.874
  112    H    PHE  13           H        PHE  13   8.612   1.008  -6.198
  113    HA   PHE  13           HA       PHE  13  11.126   0.016  -7.313
  114    HB2  PHE  13           2HB      PHE  13   8.589   0.862  -8.729
  115    HB3  PHE  13           3HB      PHE  13   9.979   0.079  -9.472
  116    HD1  PHE  13           HD1      PHE  13   7.324  -0.411  -6.930
  117    HD2  PHE  13           HD2      PHE  13  10.134  -2.244  -9.549
  118    HE1  PHE  13           HE1      PHE  13   6.336  -2.611  -6.444
  119    HE2  PHE  13           HE2      PHE  13   9.150  -4.447  -9.069
  120    HZ   PHE  13           HZ       PHE  13   7.248  -4.633  -7.516
  121    H    GLY  14           H        GLY  14   9.291   2.378  -9.052
  122    HA2  GLY  14           2HA      GLY  14  11.421   4.366  -8.558
  123    HA3  GLY  14           3HA      GLY  14  10.776   4.059 -10.164
  124    H    LYS  15           H        LYS  15   8.252   3.774  -8.070
  125    HA   LYS  15           HA       LYS  15   7.169   6.327  -8.866
  126    HB2  LYS  15           2HB      LYS  15   5.939   4.256  -7.043
  127    HB3  LYS  15           3HB      LYS  15   5.104   5.561  -7.877
  128    HG2  LYS  15           2HG      LYS  15   4.635   4.042  -9.432
  129    HG3  LYS  15           3HG      LYS  15   6.317   4.218  -9.935
  130    HD2  LYS  15           2HD      LYS  15   6.920   2.390  -8.363
  131    HD3  LYS  15           3HD      LYS  15   5.203   2.171  -8.018
  132    HE2  LYS  15           2HE      LYS  15   5.157   2.057 -10.704
  133    HE3  LYS  15           3HE      LYS  15   6.778   1.431 -10.406
  134    HZ1  LYS  15           3HZ      LYS  15   4.993   0.217  -8.613
  135    HZ2  LYS  15           1HZ      LYS  15   5.901  -0.505  -9.845
  136    HZ3  LYS  15           2HZ      LYS  15   4.350   0.083 -10.172
  137    H    GLY  16           H        GLY  16   5.728   5.792  -6.008
  138    HA2  GLY  16           2HA      GLY  16   7.605   7.553  -4.554
  139    HA3  GLY  16           3HA      GLY  16   5.861   7.763  -4.491
  140    H    GLY  17           H        GLY  17   4.592   5.991  -3.534
  141    HA2  GLY  17           2HA      GLY  17   4.627   3.935  -2.215
  142    HA3  GLY  17           3HA      GLY  17   6.164   4.468  -1.552
  Start of MODEL    4
    1    H21  PTL   1           HA2      MET   1   1.761   0.288  -0.079
    2    H22  PTL   1           HA3      MET   1   1.672   0.536  -1.847
    3    H31  PTL   1           2HB      MET   1   4.039   1.201  -0.088
    4    H32  PTL   1           3HB      MET   1   3.944   1.455  -1.826
    5    H41  PTL   1           2HG      MET   1   3.406   3.542  -1.169
    6    H42  PTL   1           3HG      MET   1   1.792   2.838  -1.098
    7    H51  PTL   1           2        MET   1   2.129   4.084   0.898
    8    H52  PTL   1           3        MET   1   2.199   2.357   1.321
    9    H53  PTL   1           H1       MET   1   3.701   3.300   1.182
   10    H    VAL   2           H        VAL   2   3.435  -0.508  -3.132
   11    HA   VAL   2           HA       VAL   2   3.595  -3.281  -2.441
   12    HB   VAL   2           HB       VAL   2   4.979  -1.833  -4.703
   13   HG11  VAL   2          1HG1      VAL   2   4.506  -4.327  -5.604
   14   HG12  VAL   2          2HG1      VAL   2   6.011  -3.837  -4.823
   15   HG13  VAL   2          3HG1      VAL   2   4.758  -4.658  -3.891
   16   HG21  VAL   2          3HG2      VAL   2   2.596  -1.452  -4.833
   17   HG22  VAL   2          1HG2      VAL   2   3.074  -2.611  -6.074
   18   HG23  VAL   2          2HG2      VAL   2   2.276  -3.171  -4.604
   19    H    ALA   3           H        ALA   3   5.502  -0.583  -1.732
   20    HA   ALA   3           HA       ALA   3   8.091  -1.690  -1.752
   21    HB1  ALA   3           3HB      ALA   3   6.894   0.566  -0.162
   22    HB2  ALA   3           1HB      ALA   3   8.603   0.137  -0.102
   23    HB3  ALA   3           2HB      ALA   3   7.881   0.668  -1.621
   24    H    ARG   4           H        ARG   4   5.416  -2.341   0.223
   25    HA   ARG   4           HA       ARG   4   6.548  -2.867   2.708
   26    HB2  ARG   4           2HB      ARG   4   4.122  -2.876   2.257
   27    HB3  ARG   4           3HB      ARG   4   4.304  -4.372   1.349
   28    HG2  ARG   4           2HG      ARG   4   3.450  -4.775   3.597
   29    HG3  ARG   4           3HG      ARG   4   5.027  -5.529   3.356
   30    HD2  ARG   4           2HD      ARG   4   5.906  -4.370   5.038
   31    HD3  ARG   4           3HD      ARG   4   5.338  -2.849   4.350
   32    HE   ARG   4           HE       ARG   4   3.251  -4.294   5.658
   33   HH11  ARG   4          1HH1      ARG   4   5.961  -2.172   6.182
   34   HH12  ARG   4          2HH1      ARG   4   5.337  -1.528   7.664
   35   HH21  ARG   4          2HH2      ARG   4   3.323  -2.258   8.476
   36   HH22  ARG   4          1HH2      ARG   4   2.419  -3.453   7.609
   37    H    GLY   5           H        GLY   5   6.081  -5.102  -0.032
   38    HA2  GLY   5           2HA      GLY   5   8.174  -6.812   1.165
   39    HA3  GLY   5           3HA      GLY   5   6.772  -7.468   0.333
   40    H    TRP   6           H        TRP   6   8.681  -4.682  -0.681
   41    HA   TRP   6           HA       TRP   6   9.562  -6.242  -3.021
   42    HB2  TRP   6           2HB      TRP   6   7.947  -4.694  -3.823
   43    HB3  TRP   6           3HB      TRP   6   8.610  -3.386  -2.849
   44    HD1  TRP   6           HD1      TRP   6   9.096  -1.776  -4.877
   45    HE1  TRP   6           HE1      TRP   6  10.819  -1.824  -6.789
   46    HE3  TRP   6           HE3      TRP   6  10.707  -6.605  -4.399
   47    HZ2  TRP   6           HZ2      TRP   6  12.623  -3.664  -7.941
   48    HZ3  TRP   6           HZ3      TRP   6  12.434  -7.430  -5.945
   49    HH2  TRP   6           HH2      TRP   6  13.369  -5.989  -7.680
   50    H    LYS   7           H        LYS   7  10.357  -2.984  -1.850
   51    HA   LYS   7           HA       LYS   7  13.196  -3.742  -1.926
   52    HB2  LYS   7           2HB      LYS   7  11.772  -1.113  -2.248
   53    HB3  LYS   7           3HB      LYS   7  13.489  -1.176  -1.870
   54    HG2  LYS   7           2HG      LYS   7  12.124  -2.296  -4.308
   55    HG3  LYS   7           3HG      LYS   7  13.222  -0.915  -4.233
   56    HD2  LYS   7           2HD      LYS   7  14.942  -2.567  -3.303
   57    HD3  LYS   7           3HD      LYS   7  13.845  -3.832  -3.863
   58    HE2  LYS   7           2HE      LYS   7  15.291  -3.580  -5.657
   59    HE3  LYS   7           3HE      LYS   7  13.924  -2.568  -6.119
   60    HZ1  LYS   7           3HZ      LYS   7  16.568  -1.721  -5.103
   61    HZ2  LYS   7           1HZ      LYS   7  15.232  -0.683  -5.069
   62    HZ3  LYS   7           2HZ      LYS   7  15.802  -1.279  -6.546
   63    H    ARG   8           H        ARG   8  11.803  -0.998  -0.226
   64    HA   ARG   8           HA       ARG   8  12.876  -2.102   2.284
   65    HB2  ARG   8           2HB      ARG   8  12.539   0.756   1.372
   66    HB3  ARG   8           3HB      ARG   8  12.944   0.309   3.025
   67    HG2  ARG   8           2HG      ARG   8  14.586  -0.346   0.586
   68    HG3  ARG   8           3HG      ARG   8  14.916   0.954   1.732
   69    HD2  ARG   8           2HD      ARG   8  14.632  -1.299   3.322
   70    HD3  ARG   8           3HD      ARG   8  15.518  -1.876   1.911
   71    HE   ARG   8           HE       ARG   8  16.810   0.412   2.610
   72   HH11  ARG   8          1HH1      ARG   8  15.940  -2.507   4.295
   73   HH12  ARG   8          2HH1      ARG   8  17.297  -2.446   5.369
   74   HH21  ARG   8          2HH2      ARG   8  18.809  -0.733   5.213
   75   HH22  ARG   8          1HH2      ARG   8  18.600   0.504   4.019
   76    H    LYS   9           H        LYS   9  11.073   0.719   2.661
   77    HA   LYS   9           HA       LYS   9   8.694  -0.819   3.475
   78    HB2  LYS   9           2HB      LYS   9  10.030   1.507   4.859
   79    HB3  LYS   9           3HB      LYS   9   8.404   0.963   5.252
   80    HG2  LYS   9           2HG      LYS   9   9.297  -0.462   6.689
   81    HG3  LYS   9           3HG      LYS   9   9.997  -1.333   5.323
   82    HD2  LYS   9           2HD      LYS   9  11.771   0.689   5.579
   83    HD3  LYS   9           3HD      LYS   9  11.261   0.497   7.258
   84    HE2  LYS   9           2HE      LYS   9  11.629  -2.098   6.395
   85    HE3  LYS   9           3HE      LYS   9  12.934  -1.216   5.603
   86    HZ1  LYS   9           3HZ      LYS   9  12.685  -1.967   8.324
   87    HZ2  LYS   9           1HZ      LYS   9  12.862  -0.288   8.199
   88    HZ3  LYS   9           2HZ      LYS   9  14.020  -1.314   7.516
   89    H    CYS  10           H        CYS  10   9.586   2.615   3.090
   90    HA   CYS  10           HA       CYS  10   6.990   3.262   2.054
   91    HB2  CYS  10           2HB      CYS  10   9.370   4.711   2.932
   92    HB3  CYS  10           3HB      CYS  10   8.614   5.437   1.519
   93    HG   CYS  10           HG       CYS  10   6.586   6.496   2.718
   94    HA   PRO  11           HA       PRO  11   9.385   4.054  -2.050
   95    HB2  PRO  11           2HB      PRO  11  12.014   3.377  -2.136
   96    HB3  PRO  11           3HB      PRO  11  11.448   4.969  -1.619
   97    HG2  PRO  11           2HG      PRO  11  12.287   2.624   0.043
   98    HG3  PRO  11           3HG      PRO  11  12.670   4.342   0.258
   99    HD2  PRO  11           2HD      PRO  11  10.748   3.087   1.693
  100    HD3  PRO  11           3HD      PRO  11  10.638   4.801   1.244
  101    H    LEU  12           H        LEU  12   9.040   2.625  -3.643
  102    HA   LEU  12           HA       LEU  12   9.604  -0.214  -3.098
  103    HB2  LEU  12           2HB      LEU  12   7.798  -0.403  -5.030
  104    HB3  LEU  12           3HB      LEU  12   7.357  -0.283  -3.329
  105    HG   LEU  12           HG       LEU  12   7.550   2.222  -4.932
  106   HD11  LEU  12          1HD1      LEU  12   6.202   1.212  -6.469
  107   HD12  LEU  12          2HD1      LEU  12   4.985   1.739  -5.306
  108   HD13  LEU  12          3HD1      LEU  12   5.541   0.064  -5.304
  109   HD21  LEU  12          3HD2      LEU  12   5.580   2.755  -3.448
  110   HD22  LEU  12          1HD2      LEU  12   7.119   2.509  -2.622
  111   HD23  LEU  12          2HD2      LEU  12   5.902   1.232  -2.616
  112    H    PHE  13           H        PHE  13   8.581   0.985  -6.200
  113    HA   PHE  13           HA       PHE  13  11.097   0.049  -7.355
  114    HB2  PHE  13           2HB      PHE  13   8.524   0.844  -8.734
  115    HB3  PHE  13           3HB      PHE  13   9.916   0.081  -9.494
  116    HD1  PHE  13           HD1      PHE  13   7.302  -0.442  -6.917
  117    HD2  PHE  13           HD2      PHE  13  10.112  -2.240  -9.561
  118    HE1  PHE  13           HE1      PHE  13   6.358  -2.657  -6.410
  119    HE2  PHE  13           HE2      PHE  13   9.171  -4.457  -9.059
  120    HZ   PHE  13           HZ       PHE  13   7.291  -4.668  -7.482
  121    H    GLY  14           H        GLY  14   9.424   2.207  -9.344
  122    HA2  GLY  14           2HA      GLY  14  11.343   4.358  -8.689
  123    HA3  GLY  14           3HA      GLY  14  10.920   3.930 -10.339
  124    H    LYS  15           H        LYS  15   8.068   3.510  -9.294
  125    HA   LYS  15           HA       LYS  15   6.981   5.917 -10.160
  126    HB2  LYS  15           2HB      LYS  15   4.945   5.056  -8.717
  127    HB3  LYS  15           3HB      LYS  15   5.428   4.225 -10.190
  128    HG2  LYS  15           2HG      LYS  15   6.782   3.278  -7.774
  129    HG3  LYS  15           3HG      LYS  15   5.033   3.035  -7.780
  130    HD2  LYS  15           2HD      LYS  15   6.770   2.256 -10.108
  131    HD3  LYS  15           3HD      LYS  15   6.471   1.166  -8.751
  132    HE2  LYS  15           2HE      LYS  15   3.957   1.812  -9.260
  133    HE3  LYS  15           3HE      LYS  15   4.615   2.141 -10.862
  134    HZ1  LYS  15           3HZ      LYS  15   4.534  -0.421  -9.397
  135    HZ2  LYS  15           1HZ      LYS  15   5.634  -0.176 -10.659
  136    HZ3  LYS  15           2HZ      LYS  15   3.972  -0.073 -10.953
  137    H    GLY  16           H        GLY  16   5.979   5.005  -6.949
  138    HA2  GLY  16           2HA      GLY  16   6.977   7.604  -5.954
  139    HA3  GLY  16           3HA      GLY  16   5.389   6.975  -5.540
  140    H    GLY  17           H        GLY  17   5.215   5.950  -3.659
  141    HA2  GLY  17           2HA      GLY  17   5.882   4.317  -2.064
  142    HA3  GLY  17           3HA      GLY  17   7.543   4.507  -2.603
  Start of MODEL    5
    1    H21  PTL   1           HA2      MET   1   1.489  -0.673   0.859
    2    H22  PTL   1           HA3      MET   1   1.380   0.027  -0.783
    3    H31  PTL   1           2HB      MET   1   3.736   0.861  -0.460
    4    H32  PTL   1           3HB      MET   1   2.525   1.625   0.561
    5    H41  PTL   1           2HG      MET   1   3.197   0.038   2.380
    6    H42  PTL   1           3HG      MET   1   4.536  -0.464   1.348
    7    H51  PTL   1           2        MET   1   5.143   2.022   1.255
    8    H52  PTL   1           3        MET   1   4.046   2.194   2.646
    9    H53  PTL   1           H1       MET   1   5.469   1.134   2.763
   10    H    VAL   2           H        VAL   2   3.573  -0.451  -2.050
   11    HA   VAL   2           HA       VAL   2   3.707  -3.346  -2.215
   12    HB   VAL   2           HB       VAL   2   4.953  -1.215  -3.957
   13   HG11  VAL   2          1HG1      VAL   2   4.936  -3.445  -5.475
   14   HG12  VAL   2          2HG1      VAL   2   6.325  -2.910  -4.528
   15   HG13  VAL   2          3HG1      VAL   2   5.241  -4.145  -3.886
   16   HG21  VAL   2          3HG2      VAL   2   2.404  -1.520  -3.891
   17   HG22  VAL   2          1HG2      VAL   2   3.200  -1.544  -5.464
   18   HG23  VAL   2          2HG2      VAL   2   2.704  -3.056  -4.703
   19    H    ALA   3           H        ALA   3   5.509  -0.802  -0.842
   20    HA   ALA   3           HA       ALA   3   8.138  -1.564  -1.037
   21    HB1  ALA   3           3HB      ALA   3   6.590   0.097   0.697
   22    HB2  ALA   3           1HB      ALA   3   7.761  -0.813   1.653
   23    HB3  ALA   3           2HB      ALA   3   8.308   0.191   0.310
   24    H    ARG   4           H        ARG   4   5.769  -2.723   1.357
   25    HA   ARG   4           HA       ARG   4   7.376  -4.414   2.820
   26    HB2  ARG   4           2HB      ARG   4   5.299  -5.735   3.257
   27    HB3  ARG   4           3HB      ARG   4   5.113  -4.004   3.505
   28    HG2  ARG   4           2HG      ARG   4   4.209  -3.972   1.097
   29    HG3  ARG   4           3HG      ARG   4   4.037  -5.716   1.301
   30    HD2  ARG   4           2HD      ARG   4   2.952  -3.878   3.387
   31    HD3  ARG   4           3HD      ARG   4   2.058  -4.105   1.884
   32    HE   ARG   4           HE       ARG   4   2.329  -5.981   4.034
   33   HH11  ARG   4          1HH1      ARG   4   1.784  -5.633   0.613
   34   HH12  ARG   4          2HH1      ARG   4   0.951  -7.145   0.460
   35   HH21  ARG   4          2HH2      ARG   4   0.638  -8.475   2.299
   36   HH22  ARG   4          1HH2      ARG   4   1.235  -7.974   3.845
   37    H    GLY   5           H        GLY   5   6.051  -4.876  -0.381
   38    HA2  GLY   5           2HA      GLY   5   7.075  -7.632  -0.437
   39    HA3  GLY   5           3HA      GLY   5   5.946  -6.937  -1.591
   40    H    TRP   6           H        TRP   6   7.981  -4.516  -1.339
   41    HA   TRP   6           HA       TRP   6   9.867  -5.597  -3.328
   42    HB2  TRP   6           2HB      TRP   6   8.368  -4.159  -4.505
   43    HB3  TRP   6           3HB      TRP   6   8.473  -2.920  -3.256
   44    HD1  TRP   6           HD1      TRP   6   9.469  -0.962  -4.640
   45    HE1  TRP   6           HE1      TRP   6  11.672  -0.599  -5.923
   46    HE3  TRP   6           HE3      TRP   6  11.262  -5.750  -4.548
   47    HZ2  TRP   6           HZ2      TRP   6  13.877  -2.138  -6.782
   48    HZ3  TRP   6           HZ3      TRP   6  13.424  -6.220  -5.623
   49    HH2  TRP   6           HH2      TRP   6  14.702  -4.450  -6.717
   50    H    LYS   7           H        LYS   7   9.672  -2.441  -1.723
   51    HA   LYS   7           HA       LYS   7  12.431  -2.833  -0.794
   52    HB2  LYS   7           2HB      LYS   7  10.805  -0.396  -1.450
   53    HB3  LYS   7           3HB      LYS   7  12.222  -0.268  -0.417
   54    HG2  LYS   7           2HG      LYS   7  12.133  -1.238  -3.264
   55    HG3  LYS   7           3HG      LYS   7  12.848   0.261  -2.664
   56    HD2  LYS   7           2HD      LYS   7  14.361  -1.212  -1.246
   57    HD3  LYS   7           3HD      LYS   7  13.789  -2.564  -2.227
   58    HE2  LYS   7           2HE      LYS   7  14.455  -0.877  -4.185
   59    HE3  LYS   7           3HE      LYS   7  15.569  -0.305  -2.943
   60    HZ1  LYS   7           3HZ      LYS   7  15.386  -3.026  -4.101
   61    HZ2  LYS   7           1HZ      LYS   7  16.257  -2.691  -2.688
   62    HZ3  LYS   7           2HZ      LYS   7  16.700  -1.961  -4.148
   63    H    ARG   8           H        ARG   8  12.738  -3.278   1.278
   64    HA   ARG   8           HA       ARG   8  10.603  -3.091   3.182
   65    HB2  ARG   8           2HB      ARG   8  12.155  -4.085   4.750
   66    HB3  ARG   8           3HB      ARG   8  12.268  -4.926   3.208
   67    HG2  ARG   8           2HG      ARG   8  14.186  -2.978   2.973
   68    HG3  ARG   8           3HG      ARG   8  14.285  -3.428   4.677
   69    HD2  ARG   8           2HD      ARG   8  14.590  -5.747   4.091
   70    HD3  ARG   8           3HD      ARG   8  14.337  -5.385   2.385
   71    HE   ARG   8           HE       ARG   8  16.463  -3.823   3.196
   72   HH11  ARG   8          1HH1      ARG   8  15.716  -7.219   3.017
   73   HH12  ARG   8          2HH1      ARG   8  17.362  -7.701   2.774
   74   HH21  ARG   8          2HH2      ARG   8  19.021  -6.123   2.695
   75   HH22  ARG   8          1HH2      ARG   8  18.634  -4.446   2.876
   76    H    LYS   9           H        LYS   9  12.667  -0.831   1.969
   77    HA   LYS   9           HA       LYS   9  13.306   0.586   4.388
   78    HB2  LYS   9           2HB      LYS   9  13.516   1.297   1.465
   79    HB3  LYS   9           3HB      LYS   9  13.963   2.414   2.748
   80    HG2  LYS   9           2HG      LYS   9  15.186  -0.297   2.275
   81    HG3  LYS   9           3HG      LYS   9  15.906   1.255   1.841
   82    HD2  LYS   9           2HD      LYS   9  15.592   1.813   4.359
   83    HD3  LYS   9           3HD      LYS   9  15.459   0.064   4.553
   84    HE2  LYS   9           2HE      LYS   9  17.644  -0.299   4.005
   85    HE3  LYS   9           3HE      LYS   9  17.729   1.111   2.951
   86    HZ1  LYS   9           3HZ      LYS   9  18.590   0.891   5.593
   87    HZ2  LYS   9           1HZ      LYS   9  17.287   1.971   5.586
   88    HZ3  LYS   9           2HZ      LYS   9  18.629   2.259   4.597
   89    H    CYS  10           H        CYS  10  12.194   2.677   1.968
   90    HA   CYS  10           HA       CYS  10   9.676   3.135   3.428
   91    HB2  CYS  10           2HB      CYS  10  11.891   4.959   2.878
   92    HB3  CYS  10           3HB      CYS  10  10.340   5.590   2.339
   93    HG   CYS  10           HG       CYS  10  10.756   6.685   4.822
   94    HA   PRO  11           HA       PRO  11   8.793   4.553  -1.073
   95    HB2  PRO  11           2HB      PRO  11  10.855   4.598  -2.839
   96    HB3  PRO  11           3HB      PRO  11  10.447   5.971  -1.804
   97    HG2  PRO  11           2HG      PRO  11  12.571   3.892  -1.444
   98    HG3  PRO  11           3HG      PRO  11  12.666   5.644  -1.189
   99    HD2  PRO  11           2HD      PRO  11  12.352   3.890   0.850
  100    HD3  PRO  11           3HD      PRO  11  11.659   5.524   0.881
  101    H    LEU  12           H        LEU  12   9.035   3.526  -3.430
  102    HA   LEU  12           HA       LEU  12   9.275   0.617  -3.034
  103    HB2  LEU  12           2HB      LEU  12   7.372   2.283  -4.630
  104    HB3  LEU  12           3HB      LEU  12   7.703   0.618  -5.107
  105    HG   LEU  12           HG       LEU  12   6.586  -0.263  -3.309
  106   HD11  LEU  12          1HD1      LEU  12   7.845   0.764  -1.550
  107   HD12  LEU  12          2HD1      LEU  12   6.129   1.001  -1.218
  108   HD13  LEU  12          3HD1      LEU  12   7.094   2.329  -1.861
  109   HD21  LEU  12          3HD2      LEU  12   4.883   0.765  -4.556
  110   HD22  LEU  12          1HD2      LEU  12   5.298   2.372  -3.958
  111   HD23  LEU  12          2HD2      LEU  12   4.545   1.197  -2.879
  112    H    PHE  13           H        PHE  13   8.685   1.785  -6.194
  113    HA   PHE  13           HA       PHE  13  11.399   1.001  -6.981
  114    HB2  PHE  13           2HB      PHE  13   8.883   1.289  -8.635
  115    HB3  PHE  13           3HB      PHE  13  10.451   0.788  -9.261
  116    HD1  PHE  13           HD1      PHE  13   7.630  -0.173  -7.107
  117    HD2  PHE  13           HD2      PHE  13  11.257  -1.429  -8.948
  118    HE1  PHE  13           HE1      PHE  13   7.093  -2.512  -6.563
  119    HE2  PHE  13           HE2      PHE  13  10.724  -3.770  -8.409
  120    HZ   PHE  13           HZ       PHE  13   8.640  -4.313  -7.216
  121    H    GLY  14           H        GLY  14   9.847   2.701  -9.407
  122    HA2  GLY  14           2HA      GLY  14  11.276   5.187  -8.686
  123    HA3  GLY  14           3HA      GLY  14  11.294   4.529 -10.316
  124    H    LYS  15           H        LYS  15   8.335   4.187  -8.649
  125    HA   LYS  15           HA       LYS  15   7.187   6.350 -10.278
  126    HB2  LYS  15           2HB      LYS  15   5.451   4.312  -8.980
  127    HB3  LYS  15           3HB      LYS  15   5.276   5.109 -10.539
  128    HG2  LYS  15           2HG      LYS  15   5.855   3.095 -11.336
  129    HG3  LYS  15           3HG      LYS  15   7.495   3.655 -10.999
  130    HD2  LYS  15           2HD      LYS  15   7.447   1.559  -9.998
  131    HD3  LYS  15           3HD      LYS  15   7.101   2.644  -8.649
  132    HE2  LYS  15           2HE      LYS  15   4.689   1.857 -10.044
  133    HE3  LYS  15           3HE      LYS  15   5.592   0.457  -9.466
  134    HZ1  LYS  15           3HZ      LYS  15   4.300   0.968  -7.659
  135    HZ2  LYS  15           1HZ      LYS  15   4.363   2.638  -7.925
  136    HZ3  LYS  15           2HZ      LYS  15   5.705   1.833  -7.286
  137    H    GLY  16           H        GLY  16   6.110   4.716  -7.301
  138    HA2  GLY  16           2HA      GLY  16   5.815   7.391  -6.078
  139    HA3  GLY  16           3HA      GLY  16   4.623   6.117  -5.868
  140    H    GLY  17           H        GLY  17   4.761   4.960  -4.063
  141    HA2  GLY  17           2HA      GLY  17   5.781   3.734  -2.361
  142    HA3  GLY  17           3HA      GLY  17   7.345   4.316  -2.911
  Start of MODEL    6
    1    H21  PTL   1           HA2      MET   1   2.230   0.952  -1.797
    2    H22  PTL   1           HA3      MET   1   3.671   1.363  -0.823
    3    H31  PTL   1           2HB      MET   1   1.076   1.168   0.112
    4    H32  PTL   1           3HB      MET   1   1.787  -0.372   0.578
    5    H41  PTL   1           2HG      MET   1   2.865   2.353   1.259
    6    H42  PTL   1           3HG      MET   1   2.001   1.272   2.349
    7    H51  PTL   1           2        MET   1   3.937   0.376   2.931
    8    H52  PTL   1           3        MET   1   4.122  -0.219   1.265
    9    H53  PTL   1           H1       MET   1   4.787   1.368   1.724
   10    H    VAL   2           H        VAL   2   3.595  -0.342  -3.161
   11    HA   VAL   2           HA       VAL   2   3.604  -3.073  -2.554
   12    HB   VAL   2           HB       VAL   2   5.213  -1.599  -4.645
   13   HG11  VAL   2          1HG1      VAL   2   4.851  -4.496  -4.051
   14   HG12  VAL   2          2HG1      VAL   2   4.981  -3.978  -5.732
   15   HG13  VAL   2          3HG1      VAL   2   6.285  -3.627  -4.597
   16   HG21  VAL   2          3HG2      VAL   2   3.024  -3.136  -5.660
   17   HG22  VAL   2          1HG2      VAL   2   2.442  -2.040  -4.406
   18   HG23  VAL   2          2HG2      VAL   2   3.322  -1.403  -5.796
   19    H    ALA   3           H        ALA   3   5.807  -0.615  -1.689
   20    HA   ALA   3           HA       ALA   3   8.260  -1.857  -1.580
   21    HB1  ALA   3           3HB      ALA   3   8.775   0.094  -0.660
   22    HB2  ALA   3           1HB      ALA   3   7.063   0.447  -0.427
   23    HB3  ALA   3           2HB      ALA   3   7.970  -0.394   0.832
   24    H    ARG   4           H        ARG   4   5.454  -2.408   0.409
   25    HA   ARG   4           HA       ARG   4   6.438  -3.568   2.672
   26    HB2  ARG   4           2HB      ARG   4   4.051  -4.235   0.980
   27    HB3  ARG   4           3HB      ARG   4   4.414  -5.181   2.416
   28    HG2  ARG   4           2HG      ARG   4   3.835  -3.514   3.833
   29    HG3  ARG   4           3HG      ARG   4   4.367  -2.243   2.730
   30    HD2  ARG   4           2HD      ARG   4   2.198  -1.903   2.321
   31    HD3  ARG   4           3HD      ARG   4   2.269  -3.391   1.379
   32    HE   ARG   4           HE       ARG   4   1.748  -3.789   4.184
   33   HH11  ARG   4          1HH1      ARG   4   0.355  -3.202   1.049
   34   HH12  ARG   4          2HH1      ARG   4  -1.193  -3.857   1.470
   35   HH21  ARG   4          2HH2      ARG   4  -1.557  -4.682   3.575
   36   HH22  ARG   4          1HH2      ARG   4  -0.285  -4.654   4.751
   37    H    GLY   5           H        GLY   5   6.179  -5.047  -0.532
   38    HA2  GLY   5           2HA      GLY   5   7.814  -7.293   0.482
   39    HA3  GLY   5           3HA      GLY   5   6.571  -7.492  -0.743
   40    H    TRP   6           H        TRP   6   8.300  -4.595  -1.059
   41    HA   TRP   6           HA       TRP   6  10.024  -5.808  -3.118
   42    HB2  TRP   6           2HB      TRP   6   8.349  -4.584  -4.283
   43    HB3  TRP   6           3HB      TRP   6   8.476  -3.220  -3.177
   44    HD1  TRP   6           HD1      TRP   6   9.196  -1.357  -4.840
   45    HE1  TRP   6           HE1      TRP   6  11.245  -0.990  -6.353
   46    HE3  TRP   6           HE3      TRP   6  11.340  -5.982  -4.441
   47    HZ2  TRP   6           HZ2      TRP   6  13.475  -2.465  -7.259
   48    HZ3  TRP   6           HZ3      TRP   6  13.430  -6.422  -5.664
   49    HH2  TRP   6           HH2      TRP   6  14.474  -4.698  -7.043
   50    H    LYS   7           H        LYS   7   9.652  -2.979  -0.992
   51    HA   LYS   7           HA       LYS   7  12.587  -2.903  -0.744
   52    HB2  LYS   7           2HB      LYS   7  10.638  -0.600  -0.866
   53    HB3  LYS   7           3HB      LYS   7  12.308  -0.425  -0.347
   54    HG2  LYS   7           2HG      LYS   7  11.330  -1.289  -3.057
   55    HG3  LYS   7           3HG      LYS   7  12.142   0.222  -2.642
   56    HD2  LYS   7           2HD      LYS   7  13.324  -2.551  -2.516
   57    HD3  LYS   7           3HD      LYS   7  13.708  -1.297  -3.697
   58    HE2  LYS   7           2HE      LYS   7  14.218   0.061  -1.454
   59    HE3  LYS   7           3HE      LYS   7  14.535  -1.569  -0.864
   60    HZ1  LYS   7           3HZ      LYS   7  15.724  -0.747  -3.415
   61    HZ2  LYS   7           1HZ      LYS   7  16.311  -1.825  -2.251
   62    HZ3  LYS   7           2HZ      LYS   7  16.408  -0.159  -1.984
   63    H    ARG   8           H        ARG   8  13.294  -3.265   1.247
   64    HA   ARG   8           HA       ARG   8  11.504  -3.530   3.448
   65    HB2  ARG   8           2HB      ARG   8  13.585  -3.932   4.764
   66    HB3  ARG   8           3HB      ARG   8  13.434  -4.957   3.344
   67    HG2  ARG   8           2HG      ARG   8  14.838  -2.645   2.547
   68    HG3  ARG   8           3HG      ARG   8  15.548  -3.194   4.066
   69    HD2  ARG   8           2HD      ARG   8  15.350  -5.549   2.843
   70    HD3  ARG   8           3HD      ARG   8  15.451  -4.522   1.414
   71    HE   ARG   8           HE       ARG   8  17.652  -4.094   1.907
   72   HH11  ARG   8          1HH1      ARG   8  16.118  -5.605   4.642
   73   HH12  ARG   8          2HH1      ARG   8  17.600  -5.850   5.504
   74   HH21  ARG   8          2HH2      ARG   8  19.586  -5.169   4.589
   75   HH22  ARG   8          1HH2      ARG   8  19.611  -4.411   3.032
   76    H    LYS   9           H        LYS   9  12.851  -0.848   2.032
   77    HA   LYS   9           HA       LYS   9  13.243   0.672   4.476
   78    HB2  LYS   9           2HB      LYS   9  13.445   1.434   1.559
   79    HB3  LYS   9           3HB      LYS   9  13.739   2.550   2.887
   80    HG2  LYS   9           2HG      LYS   9  15.735   1.607   3.427
   81    HG3  LYS   9           3HG      LYS   9  15.252   0.001   2.877
   82    HD2  LYS   9           2HD      LYS   9  15.491   0.680   0.567
   83    HD3  LYS   9           3HD      LYS   9  15.854   2.335   1.062
   84    HE2  LYS   9           2HE      LYS   9  17.733   1.028   2.459
   85    HE3  LYS   9           3HE      LYS   9  17.555  -0.085   1.104
   86    HZ1  LYS   9           3HZ      LYS   9  18.524   2.682   1.117
   87    HZ2  LYS   9           1HZ      LYS   9  17.745   2.107  -0.270
   88    HZ3  LYS   9           2HZ      LYS   9  19.135   1.333   0.302
   89    H    CYS  10           H        CYS  10  11.988   2.615   2.051
   90    HA   CYS  10           HA       CYS  10   9.312   2.584   3.283
   91    HB2  CYS  10           2HB      CYS  10  11.231   4.766   2.988
   92    HB3  CYS  10           3HB      CYS  10   9.651   5.159   2.324
   93    HG   CYS  10           HG       CYS  10   9.035   3.791   5.174
   94    HA   PRO  11           HA       PRO  11   8.591   4.028  -1.241
   95    HB2  PRO  11           2HB      PRO  11  10.759   4.476  -2.812
   96    HB3  PRO  11           3HB      PRO  11  10.045   5.722  -1.780
   97    HG2  PRO  11           2HG      PRO  11  12.443   3.998  -1.288
   98    HG3  PRO  11           3HG      PRO  11  12.228   5.732  -0.977
   99    HD2  PRO  11           2HD      PRO  11  12.035   3.867   0.976
  100    HD3  PRO  11           3HD      PRO  11  11.083   5.365   0.989
  101    H    LEU  12           H        LEU  12   8.258   2.764  -3.073
  102    HA   LEU  12           HA       LEU  12   9.365   0.082  -2.921
  103    HB2  LEU  12           2HB      LEU  12   7.716  -0.101  -4.992
  104    HB3  LEU  12           3HB      LEU  12   7.153  -0.172  -3.322
  105    HG   LEU  12           HG       LEU  12   7.209   2.480  -4.668
  106   HD11  LEU  12          1HD1      LEU  12   5.964   1.776  -6.375
  107   HD12  LEU  12          2HD1      LEU  12   4.676   1.539  -5.195
  108   HD13  LEU  12          3HD1      LEU  12   5.714   0.188  -5.649
  109   HD21  LEU  12          3HD2      LEU  12   5.220   1.174  -2.816
  110   HD22  LEU  12          1HD2      LEU  12   5.290   2.877  -3.275
  111   HD23  LEU  12          2HD2      LEU  12   6.573   2.175  -2.289
  112    H    PHE  13           H        PHE  13   8.429   1.424  -5.988
  113    HA   PHE  13           HA       PHE  13  11.130   0.907  -6.994
  114    HB2  PHE  13           2HB      PHE  13   8.602   1.395  -8.579
  115    HB3  PHE  13           3HB      PHE  13  10.138   0.791  -9.195
  116    HD1  PHE  13           HD1      PHE  13   7.294  -0.027  -6.975
  117    HD2  PHE  13           HD2      PHE  13  10.636  -1.499  -9.161
  118    HE1  PHE  13           HE1      PHE  13   6.541  -2.333  -6.566
  119    HE2  PHE  13           HE2      PHE  13   9.888  -3.807  -8.755
  120    HZ   PHE  13           HZ       PHE  13   7.838  -4.227  -7.457
  121    H    GLY  14           H        GLY  14   9.555   2.778  -9.199
  122    HA2  GLY  14           2HA      GLY  14  10.800   5.251  -8.162
  123    HA3  GLY  14           3HA      GLY  14  10.886   4.782  -9.854
  124    H    LYS  15           H        LYS  15   7.905   3.893  -8.741
  125    HA   LYS  15           HA       LYS  15   6.626   6.065 -10.144
  126    HB2  LYS  15           2HB      LYS  15   5.170   3.941  -8.597
  127    HB3  LYS  15           3HB      LYS  15   4.660   4.792 -10.050
  128    HG2  LYS  15           2HG      LYS  15   5.282   2.966 -11.151
  129    HG3  LYS  15           3HG      LYS  15   6.941   3.502 -10.870
  130    HD2  LYS  15           2HD      LYS  15   7.107   1.412  -9.988
  131    HD3  LYS  15           3HD      LYS  15   6.521   2.254  -8.552
  132    HE2  LYS  15           2HE      LYS  15   5.253   0.233  -8.841
  133    HE3  LYS  15           3HE      LYS  15   4.210   1.613  -9.181
  134    HZ1  LYS  15           3HZ      LYS  15   4.168  -0.375 -10.773
  135    HZ2  LYS  15           1HZ      LYS  15   5.632   0.233 -11.365
  136    HZ3  LYS  15           2HZ      LYS  15   4.231   1.179 -11.440
  137    H    GLY  16           H        GLY  16   5.843   4.633  -6.971
  138    HA2  GLY  16           2HA      GLY  16   5.406   7.384  -5.978
  139    HA3  GLY  16           3HA      GLY  16   4.371   6.032  -5.537
  140    H    GLY  17           H        GLY  17   4.783   5.066  -3.661
  141    HA2  GLY  17           2HA      GLY  17   5.960   4.247  -1.853
  142    HA3  GLY  17           3HA      GLY  17   7.448   4.624  -2.708
  Start of MODEL    7
    1    H21  PTL   1           HA2      MET   1   0.646  -0.407  -1.094
    2    H22  PTL   1           HA3      MET   1   0.974  -0.190  -2.823
    3    H31  PTL   1           2HB      MET   1   3.085   0.999  -2.234
    4    H32  PTL   1           3HB      MET   1   1.632   1.829  -1.691
    5    H41  PTL   1           2HG      MET   1   2.415   0.149   0.416
    6    H42  PTL   1           3HG      MET   1   3.881   0.927  -0.176
    7    H51  PTL   1           H3       MET   1   1.345   2.328   0.663
    8    H52  PTL   1           H2       MET   1   2.827   3.115   0.067
    9    H53  PTL   1           H1       MET   1   2.850   2.224   1.608
   10    H    VAL   2           H        VAL   2   3.102  -0.989  -3.616
   11    HA   VAL   2           HA       VAL   2   3.523  -3.678  -2.677
   12    HB   VAL   2           HB       VAL   2   5.091  -2.223  -4.805
   13   HG11  VAL   2          1HG1      VAL   2   6.265  -4.125  -4.732
   14   HG12  VAL   2          2HG1      VAL   2   5.039  -4.950  -3.766
   15   HG13  VAL   2          3HG1      VAL   2   4.869  -4.860  -5.520
   16   HG21  VAL   2          3HG2      VAL   2   2.497  -3.743  -5.032
   17   HG22  VAL   2          1HG2      VAL   2   2.772  -2.040  -5.395
   18   HG23  VAL   2          2HG2      VAL   2   3.504  -3.285  -6.405
   19    H    ALA   3           H        ALA   3   4.716  -0.726  -1.742
   20    HA   ALA   3           HA       ALA   3   7.458  -1.170  -1.394
   21    HB1  ALA   3           3HB      ALA   3   5.763   0.907  -0.906
   22    HB2  ALA   3           1HB      ALA   3   6.184   0.393   0.728
   23    HB3  ALA   3           2HB      ALA   3   7.454   0.842  -0.411
   24    H    ARG   4           H        ARG   4   4.783  -2.598   0.154
   25    HA   ARG   4           HA       ARG   4   5.610  -3.082   2.731
   26    HB2  ARG   4           2HB      ARG   4   3.975  -4.644   0.777
   27    HB3  ARG   4           3HB      ARG   4   4.426  -5.399   2.300
   28    HG2  ARG   4           2HG      ARG   4   3.009  -2.754   2.093
   29    HG3  ARG   4           3HG      ARG   4   2.192  -4.303   2.304
   30    HD2  ARG   4           2HD      ARG   4   4.027  -4.425   4.288
   31    HD3  ARG   4           3HD      ARG   4   3.727  -2.688   4.228
   32    HE   ARG   4           HE       ARG   4   1.916  -4.735   5.132
   33   HH11  ARG   4          1HH1      ARG   4   2.202  -1.499   3.879
   34   HH12  ARG   4          2HH1      ARG   4   0.688  -0.971   4.535
   35   HH21  ARG   4          2HH2      ARG   4  -0.609  -2.424   5.742
   36   HH22  ARG   4          1HH2      ARG   4  -0.080  -4.052   6.000
   37    H    GLY   5           H        GLY   5   5.905  -5.638   0.273
   38    HA2  GLY   5           2HA      GLY   5   8.553  -6.280   1.423
   39    HA3  GLY   5           3HA      GLY   5   7.398  -7.515   0.942
   40    H    TRP   6           H        TRP   6   8.889  -4.617  -0.512
   41    HA   TRP   6           HA       TRP   6   9.428  -6.246  -2.909
   42    HB2  TRP   6           2HB      TRP   6   7.766  -4.659  -3.529
   43    HB3  TRP   6           3HB      TRP   6   8.595  -3.355  -2.682
   44    HD1  TRP   6           HD1      TRP   6   9.125  -1.739  -4.633
   45    HE1  TRP   6           HE1      TRP   6  10.478  -1.915  -6.814
   46    HE3  TRP   6           HE3      TRP   6  10.000  -6.775  -4.641
   47    HZ2  TRP   6           HZ2      TRP   6  11.747  -3.923  -8.339
   48    HZ3  TRP   6           HZ3      TRP   6  11.291  -7.745  -6.497
   49    HH2  TRP   6           HH2      TRP   6  12.145  -6.347  -8.307
   50    H    LYS   7           H        LYS   7  10.460  -3.061  -1.680
   51    HA   LYS   7           HA       LYS   7  13.246  -3.900  -2.141
   52    HB2  LYS   7           2HB      LYS   7  11.879  -1.243  -2.452
   53    HB3  LYS   7           3HB      LYS   7  13.619  -1.335  -2.216
   54    HG2  LYS   7           2HG      LYS   7  12.017  -2.491  -4.483
   55    HG3  LYS   7           3HG      LYS   7  13.200  -1.182  -4.551
   56    HD2  LYS   7           2HD      LYS   7  14.894  -2.888  -3.708
   57    HD3  LYS   7           3HD      LYS   7  13.679  -4.114  -4.078
   58    HE2  LYS   7           2HE      LYS   7  13.673  -3.500  -6.392
   59    HE3  LYS   7           3HE      LYS   7  14.695  -2.099  -6.075
   60    HZ1  LYS   7           3HZ      LYS   7  16.371  -3.442  -6.610
   61    HZ2  LYS   7           1HZ      LYS   7  15.431  -4.843  -6.476
   62    HZ3  LYS   7           2HZ      LYS   7  16.147  -4.170  -5.099
   63    H    ARG   8           H        ARG   8  12.102  -1.048  -0.422
   64    HA   ARG   8           HA       ARG   8  13.417  -2.077   2.004
   65    HB2  ARG   8           2HB      ARG   8  13.035   0.754   1.024
   66    HB3  ARG   8           3HB      ARG   8  13.621   0.353   2.633
   67    HG2  ARG   8           2HG      ARG   8  15.684   0.093   1.879
   68    HG3  ARG   8           3HG      ARG   8  15.144  -1.056   0.654
   69    HD2  ARG   8           2HD      ARG   8  15.889   0.535  -0.764
   70    HD3  ARG   8           3HD      ARG   8  14.299   1.236  -0.463
   71    HE   ARG   8           HE       ARG   8  16.060   2.198   1.481
   72   HH11  ARG   8          1HH1      ARG   8  15.540   2.413  -1.954
   73   HH12  ARG   8          2HH1      ARG   8  16.223   3.998  -2.091
   74   HH21  ARG   8          2HH2      ARG   8  17.032   5.063  -0.230
   75   HH22  ARG   8          1HH2      ARG   8  16.962   4.286   1.315
   76    H    LYS   9           H        LYS   9  11.732   0.797   2.468
   77    HA   LYS   9           HA       LYS   9   9.424  -0.650   3.597
   78    HB2  LYS   9           2HB      LYS   9   9.500   1.585   5.112
   79    HB3  LYS   9           3HB      LYS   9  10.282   0.076   5.563
   80    HG2  LYS   9           2HG      LYS   9  12.385   0.862   5.080
   81    HG3  LYS   9           3HG      LYS   9  11.789   2.063   3.932
   82    HD2  LYS   9           2HD      LYS   9  12.594   3.155   5.945
   83    HD3  LYS   9           3HD      LYS   9  10.846   3.355   5.803
   84    HE2  LYS   9           2HE      LYS   9  10.461   2.235   7.700
   85    HE3  LYS   9           3HE      LYS   9  11.604   0.961   7.279
   86    HZ1  LYS   9           3HZ      LYS   9  12.962   1.802   8.792
   87    HZ2  LYS   9           1HZ      LYS   9  11.936   3.117   9.075
   88    HZ3  LYS   9           2HZ      LYS   9  13.111   3.208   7.861
   89    H    CYS  10           H        CYS  10  10.099   2.816   3.295
   90    HA   CYS  10           HA       CYS  10   7.486   3.403   2.382
   91    HB2  CYS  10           2HB      CYS  10   9.907   4.877   3.032
   92    HB3  CYS  10           3HB      CYS  10   9.083   5.561   1.636
   93    HG   CYS  10           HG       CYS  10   7.497   6.960   3.075
   94    HA   PRO  11           HA       PRO  11   9.449   4.121  -1.957
   95    HB2  PRO  11           2HB      PRO  11  12.063   3.471  -2.293
   96    HB3  PRO  11           3HB      PRO  11  11.533   5.068  -1.755
   97    HG2  PRO  11           2HG      PRO  11  12.564   2.770  -0.137
   98    HG3  PRO  11           3HG      PRO  11  12.945   4.497   0.002
   99    HD2  PRO  11           2HD      PRO  11  11.192   3.255   1.650
  100    HD3  PRO  11           3HD      PRO  11  11.016   4.957   1.176
  101    H    LEU  12           H        LEU  12   9.080   2.669  -3.542
  102    HA   LEU  12           HA       LEU  12   9.629  -0.163  -2.943
  103    HB2  LEU  12           2HB      LEU  12   7.756  -0.398  -4.792
  104    HB3  LEU  12           3HB      LEU  12   7.367  -0.183  -3.086
  105    HG   LEU  12           HG       LEU  12   7.535   2.193  -4.898
  106   HD11  LEU  12          1HD1      LEU  12   6.038   0.971  -6.171
  107   HD12  LEU  12          2HD1      LEU  12   4.978   1.852  -5.073
  108   HD13  LEU  12          3HD1      LEU  12   5.350   0.155  -4.767
  109   HD21  LEU  12          3HD2      LEU  12   5.490   1.931  -2.800
  110   HD22  LEU  12          1HD2      LEU  12   6.534   3.293  -3.208
  111   HD23  LEU  12          2HD2      LEU  12   7.160   1.964  -2.231
  112    H    PHE  13           H        PHE  13   8.529   1.014  -6.036
  113    HA   PHE  13           HA       PHE  13  10.927  -0.075  -7.280
  114    HB2  PHE  13           2HB      PHE  13   8.350   0.947  -8.490
  115    HB3  PHE  13           3HB      PHE  13   9.673   0.225  -9.400
  116    HD1  PHE  13           HD1      PHE  13   7.283  -0.487  -6.644
  117    HD2  PHE  13           HD2      PHE  13   9.727  -2.064  -9.751
  118    HE1  PHE  13           HE1      PHE  13   6.314  -2.716  -6.270
  119    HE2  PHE  13           HE2      PHE  13   8.761  -4.297  -9.382
  120    HZ   PHE  13           HZ       PHE  13   7.051  -4.626  -7.640
  121    H    GLY  14           H        GLY  14   9.186   2.481  -8.845
  122    HA2  GLY  14           2HA      GLY  14  11.505   4.268  -8.444
  123    HA3  GLY  14           3HA      GLY  14  10.724   4.077 -10.006
  124    H    LYS  15           H        LYS  15   8.103   3.914  -8.371
  125    HA   LYS  15           HA       LYS  15   7.346   6.613  -8.761
  126    HB2  LYS  15           2HB      LYS  15   5.252   5.888  -7.512
  127    HB3  LYS  15           3HB      LYS  15   5.638   4.995  -8.978
  128    HG2  LYS  15           2HG      LYS  15   6.786   3.837  -6.555
  129    HG3  LYS  15           3HG      LYS  15   5.022   3.886  -6.566
  130    HD2  LYS  15           2HD      LYS  15   6.123   3.013  -9.110
  131    HD3  LYS  15           3HD      LYS  15   6.620   1.975  -7.771
  132    HE2  LYS  15           2HE      LYS  15   4.548   1.157  -7.479
  133    HE3  LYS  15           3HE      LYS  15   3.788   2.726  -7.735
  134    HZ1  LYS  15           3HZ      LYS  15   4.814   0.945  -9.880
  135    HZ2  LYS  15           1HZ      LYS  15   4.052   2.438 -10.112
  136    HZ3  LYS  15           2HZ      LYS  15   3.186   1.140  -9.461
  137    H    GLY  16           H        GLY  16   5.864   5.906  -5.930
  138    HA2  GLY  16           2HA      GLY  16   7.852   7.426  -4.356
  139    HA3  GLY  16           3HA      GLY  16   6.123   7.725  -4.247
  140    H    GLY  17           H        GLY  17   4.868   6.464  -2.938
  141    HA2  GLY  17           2HA      GLY  17   4.945   4.017  -2.000
  142    HA3  GLY  17           3HA      GLY  17   6.343   4.666  -1.156
  Start of MODEL    8
    1    H21  PTL   1           H1       MET   1   1.957  -1.590   1.571
    2    H22  PTL   1           HA       MET   1   1.111  -1.407   0.045
    3    H31  PTL   1           2HB      MET   1   3.639   0.088   0.760
    4    H32  PTL   1           3HB      MET   1   2.694   0.287  -0.709
    5    H41  PTL   1           2HG      MET   1   1.240   1.656   0.274
    6    H42  PTL   1           3HG      MET   1   1.130   0.650   1.716
    7    H51  PTL   1           H3       MET   1   3.216   1.601   2.550
    8    H52  PTL   1           H2       MET   1   1.995   2.861   2.246
    9    H53  PTL   1           H4       MET   1   3.328   2.617   1.093
   10    H    VAL   2           H        VAL   2   2.880  -1.377  -1.892
   11    HA   VAL   2           HA       VAL   2   3.746  -4.047  -2.122
   12    HB   VAL   2           HB       VAL   2   4.473  -1.619  -3.765
   13   HG11  VAL   2          1HG1      VAL   2   5.341  -4.439  -3.929
   14   HG12  VAL   2          2HG1      VAL   2   4.878  -3.666  -5.446
   15   HG13  VAL   2          3HG1      VAL   2   6.158  -2.967  -4.453
   16   HG21  VAL   2          3HG2      VAL   2   2.099  -2.184  -3.800
   17   HG22  VAL   2          1HG2      VAL   2   2.850  -2.527  -5.359
   18   HG23  VAL   2          2HG2      VAL   2   2.491  -3.845  -4.244
   19    H    ALA   3           H        ALA   3   5.256  -1.237  -0.823
   20    HA   ALA   3           HA       ALA   3   7.956  -1.782  -1.166
   21    HB1  ALA   3           3HB      ALA   3   8.371  -0.324   0.665
   22    HB2  ALA   3           1HB      ALA   3   6.948   0.291  -0.176
   23    HB3  ALA   3           2HB      ALA   3   6.764  -0.604   1.333
   24    H    ARG   4           H        ARG   4   5.701  -3.010   1.266
   25    HA   ARG   4           HA       ARG   4   7.600  -4.358   2.853
   26    HB2  ARG   4           2HB      ARG   4   5.405  -3.923   3.732
   27    HB3  ARG   4           3HB      ARG   4   4.649  -4.837   2.432
   28    HG2  ARG   4           2HG      ARG   4   6.588  -6.273   4.147
   29    HG3  ARG   4           3HG      ARG   4   5.030  -5.843   4.856
   30    HD2  ARG   4           2HD      ARG   4   4.545  -6.881   2.264
   31    HD3  ARG   4           3HD      ARG   4   5.657  -7.979   3.081
   32    HE   ARG   4           HE       ARG   4   2.891  -7.555   3.691
   33   HH11  ARG   4          1HH1      ARG   4   5.974  -8.489   5.009
   34   HH12  ARG   4          2HH1      ARG   4   5.289  -9.420   6.298
   35   HH21  ARG   4          2HH2      ARG   4   3.014  -9.584   6.512
   36   HH22  ARG   4          1HH2      ARG   4   1.976  -8.778   5.385
   37    H    GLY   5           H        GLY   5   6.436  -5.007  -0.267
   38    HA2  GLY   5           2HA      GLY   5   7.418  -7.789  -0.084
   39    HA3  GLY   5           3HA      GLY   5   6.113  -7.298  -1.153
   40    H    TRP   6           H        TRP   6   8.317  -4.844  -1.136
   41    HA   TRP   6           HA       TRP   6   9.735  -5.953  -3.470
   42    HB2  TRP   6           2HB      TRP   6   8.213  -4.310  -4.293
   43    HB3  TRP   6           3HB      TRP   6   8.644  -3.176  -3.015
   44    HD1  TRP   6           HD1      TRP   6   9.444  -1.251  -4.623
   45    HE1  TRP   6           HE1      TRP   6  11.482  -0.979  -6.170
   46    HE3  TRP   6           HE3      TRP   6  11.084  -6.094  -4.664
   47    HZ2  TRP   6           HZ2      TRP   6  13.516  -2.603  -7.264
   48    HZ3  TRP   6           HZ3      TRP   6  13.083  -6.651  -5.986
   49    HH2  TRP   6           HH2      TRP   6  14.273  -4.939  -7.259
   50    H    LYS   7           H        LYS   7  10.110  -2.935  -1.638
   51    HA   LYS   7           HA       LYS   7  12.912  -3.698  -1.137
   52    HB2  LYS   7           2HB      LYS   7  11.637  -1.005  -1.596
   53    HB3  LYS   7           3HB      LYS   7  13.245  -1.174  -0.906
   54    HG2  LYS   7           2HG      LYS   7  12.338  -2.076  -3.630
   55    HG3  LYS   7           3HG      LYS   7  13.440  -0.751  -3.254
   56    HD2  LYS   7           2HD      LYS   7  14.955  -2.459  -2.190
   57    HD3  LYS   7           3HD      LYS   7  13.904  -3.704  -2.871
   58    HE2  LYS   7           2HE      LYS   7  15.110  -3.591  -4.737
   59    HE3  LYS   7           3HE      LYS   7  14.461  -1.971  -4.988
   60    HZ1  LYS   7           3HZ      LYS   7  16.884  -2.518  -3.370
   61    HZ2  LYS   7           1HZ      LYS   7  16.320  -1.016  -3.908
   62    HZ3  LYS   7           2HZ      LYS   7  16.934  -2.134  -5.017
   63    H    ARG   8           H        ARG   8  11.391  -0.934   0.331
   64    HA   ARG   8           HA       ARG   8  11.412  -2.331   2.927
   65    HB2  ARG   8           2HB      ARG   8  12.301   0.468   2.241
   66    HB3  ARG   8           3HB      ARG   8  11.941  -0.030   3.889
   67    HG2  ARG   8           2HG      ARG   8  13.831  -1.249   4.082
   68    HG3  ARG   8           3HG      ARG   8  13.817  -1.741   2.387
   69    HD2  ARG   8           2HD      ARG   8  15.234  -0.116   1.837
   70    HD3  ARG   8           3HD      ARG   8  14.222   1.099   2.616
   71    HE   ARG   8           HE       ARG   8  15.623  -0.300   4.597
   72   HH11  ARG   8          1HH1      ARG   8  16.217   1.925   1.985
   73   HH12  ARG   8          2HH1      ARG   8  17.616   2.626   2.727
   74   HH21  ARG   8          2HH2      ARG   8  18.327   1.879   4.773
   75   HH22  ARG   8          1HH2      ARG   8  17.465   0.615   5.584
   76    H    LYS   9           H        LYS   9  10.513   0.950   2.937
   77    HA   LYS   9           HA       LYS   9   7.655   0.239   2.912
   78    HB2  LYS   9           2HB      LYS   9   9.112   2.036   4.855
   79    HB3  LYS   9           3HB      LYS   9   7.360   1.968   4.717
   80    HG2  LYS   9           2HG      LYS   9   7.281   0.214   6.059
   81    HG3  LYS   9           3HG      LYS   9   8.387  -0.682   5.015
   82    HD2  LYS   9           2HD      LYS   9   9.505  -0.617   7.057
   83    HD3  LYS   9           3HD      LYS   9  10.238   0.708   6.151
   84    HE2  LYS   9           2HE      LYS   9   9.221   2.321   7.428
   85    HE3  LYS   9           3HE      LYS   9   7.864   1.281   7.855
   86    HZ1  LYS   9           3HZ      LYS   9  10.164   1.800   9.345
   87    HZ2  LYS   9           1HZ      LYS   9  10.219   0.168   8.898
   88    HZ3  LYS   9           2HZ      LYS   9   8.879   0.771   9.737
   89    H    CYS  10           H        CYS  10   9.697   3.162   3.096
   90    HA   CYS  10           HA       CYS  10   7.859   4.715   1.568
   91    HB2  CYS  10           2HB      CYS  10  10.436   5.136   2.913
   92    HB3  CYS  10           3HB      CYS  10  10.224   6.104   1.459
   93    HG   CYS  10           HG       CYS  10   9.461   7.220   4.156
   94    HA   PRO  11           HA       PRO  11  11.157   4.335  -1.935
   95    HB2  PRO  11           2HB      PRO  11  13.175   2.555  -1.567
   96    HB3  PRO  11           3HB      PRO  11  13.276   4.243  -1.052
   97    HG2  PRO  11           2HG      PRO  11  12.640   1.803   0.563
   98    HG3  PRO  11           3HG      PRO  11  13.686   3.175   0.973
   99    HD2  PRO  11           2HD      PRO  11  11.160   2.937   1.918
  100    HD3  PRO  11           3HD      PRO  11  11.910   4.511   1.583
  101    H    LEU  12           H        LEU  12  10.227   3.267  -3.554
  102    HA   LEU  12           HA       LEU  12   9.757   0.373  -3.251
  103    HB2  LEU  12           2HB      LEU  12   7.715   1.882  -3.210
  104    HB3  LEU  12           3HB      LEU  12   8.062   2.228  -4.903
  105    HG   LEU  12           HG       LEU  12   7.884  -0.279  -5.295
  106   HD11  LEU  12          1HD1      LEU  12   7.443  -1.669  -3.622
  107   HD12  LEU  12          2HD1      LEU  12   6.093  -0.676  -3.071
  108   HD13  LEU  12          3HD1      LEU  12   7.729  -0.325  -2.515
  109   HD21  LEU  12          3HD2      LEU  12   5.228   0.568  -4.373
  110   HD22  LEU  12          1HD2      LEU  12   5.770   0.060  -5.973
  111   HD23  LEU  12          2HD2      LEU  12   6.050   1.715  -5.433
  112    H    PHE  13           H        PHE  13   8.662   1.292  -6.197
  113    HA   PHE  13           HA       PHE  13  11.086   0.325  -7.503
  114    HB2  PHE  13           2HB      PHE  13   8.252   0.698  -8.479
  115    HB3  PHE  13           3HB      PHE  13   9.579   0.214  -9.532
  116    HD1  PHE  13           HD1      PHE  13   7.182  -0.848  -7.061
  117    HD2  PHE  13           HD2      PHE  13  10.741  -1.949  -9.119
  118    HE1  PHE  13           HE1      PHE  13   6.818  -3.197  -6.426
  119    HE2  PHE  13           HE2      PHE  13  10.383  -4.301  -8.489
  120    HZ   PHE  13           HZ       PHE  13   8.418  -4.927  -7.141
  121    H    GLY  14           H        GLY  14   8.765   2.435  -9.062
  122    HA2  GLY  14           2HA      GLY  14  10.883   4.482  -9.312
  123    HA3  GLY  14           3HA      GLY  14   9.863   4.013 -10.664
  124    H    LYS  15           H        LYS  15   7.967   3.916  -7.972
  125    HA   LYS  15           HA       LYS  15   6.758   6.480  -8.641
  126    HB2  LYS  15           2HB      LYS  15   5.734   4.442  -6.667
  127    HB3  LYS  15           3HB      LYS  15   4.827   5.724  -7.462
  128    HG2  LYS  15           2HG      LYS  15   4.156   3.973  -8.731
  129    HG3  LYS  15           3HG      LYS  15   5.607   4.418  -9.632
  130    HD2  LYS  15           2HD      LYS  15   6.792   2.601  -8.885
  131    HD3  LYS  15           3HD      LYS  15   5.868   2.479  -7.385
  132    HE2  LYS  15           2HE      LYS  15   5.061   0.661  -8.520
  133    HE3  LYS  15           3HE      LYS  15   3.902   1.890  -9.025
  134    HZ1  LYS  15           3HZ      LYS  15   5.949   0.526 -10.571
  135    HZ2  LYS  15           1HZ      LYS  15   5.753   2.173 -10.904
  136    HZ3  LYS  15           2HZ      LYS  15   4.439   1.118 -11.054
  137    H    GLY  16           H        GLY  16   5.717   5.931  -5.636
  138    HA2  GLY  16           2HA      GLY  16   7.855   7.566  -4.413
  139    HA3  GLY  16           3HA      GLY  16   6.148   7.850  -4.108
  140    H    GLY  17           H        GLY  17   5.454   5.041  -3.922
  141    HA2  GLY  17           2HA      GLY  17   5.199   3.483  -2.252
  142    HA3  GLY  17           3HA      GLY  17   6.948   3.572  -2.112
  Start of MODEL    9
    1    H21  PTL   1           H1       MET   1   2.201  -0.343   1.140
    2    H22  PTL   1           HA       MET   1   1.608   0.035  -0.467
    3    H31  PTL   1           2HB      MET   1   4.423   0.625   0.466
    4    H32  PTL   1           3HB      MET   1   3.724   1.069  -1.085
    5    H41  PTL   1           2HG      MET   1   2.743   2.887  -0.253
    6    H42  PTL   1           3HG      MET   1   2.186   2.039   1.188
    7    H51  PTL   1           H3       MET   1   4.426   2.287   2.211
    8    H52  PTL   1           H2       MET   1   3.733   3.869   1.783
    9    H53  PTL   1           H4       MET   1   4.990   3.142   0.755
   10    H    VAL   2           H        VAL   2   3.647  -0.573  -2.131
   11    HA   VAL   2           HA       VAL   2   3.677  -3.474  -1.995
   12    HB   VAL   2           HB       VAL   2   4.704  -1.633  -4.160
   13   HG11  VAL   2          1HG1      VAL   2   5.797  -3.545  -4.701
   14   HG12  VAL   2          2HG1      VAL   2   4.658  -4.574  -3.831
   15   HG13  VAL   2          3HG1      VAL   2   4.237  -3.939  -5.423
   16   HG21  VAL   2          3HG2      VAL   2   2.604  -1.398  -4.846
   17   HG22  VAL   2          1HG2      VAL   2   2.399  -3.150  -4.902
   18   HG23  VAL   2          2HG2      VAL   2   2.057  -2.268  -3.413
   19    H    ALA   3           H        ALA   3   5.730  -0.905  -1.177
   20    HA   ALA   3           HA       ALA   3   8.252  -2.086  -1.713
   21    HB1  ALA   3           3HB      ALA   3   8.570  -0.379   0.479
   22    HB2  ALA   3           1HB      ALA   3   8.830   0.001  -1.224
   23    HB3  ALA   3           2HB      ALA   3   7.263   0.317  -0.479
   24    H    ARG   4           H        ARG   4   5.947  -2.412   0.875
   25    HA   ARG   4           HA       ARG   4   7.491  -3.343   2.957
   26    HB2  ARG   4           2HB      ARG   4   4.703  -3.939   2.049
   27    HB3  ARG   4           3HB      ARG   4   5.391  -4.867   3.376
   28    HG2  ARG   4           2HG      ARG   4   4.889  -3.240   4.784
   29    HG3  ARG   4           3HG      ARG   4   5.904  -2.122   3.870
   30    HD2  ARG   4           2HD      ARG   4   4.140  -1.233   2.732
   31    HD3  ARG   4           3HD      ARG   4   3.214  -2.733   2.781
   32    HE   ARG   4           HE       ARG   4   3.089  -0.581   4.647
   33   HH11  ARG   4          1HH1      ARG   4   2.793  -4.035   4.334
   34   HH12  ARG   4          2HH1      ARG   4   1.738  -4.199   5.698
   35   HH21  ARG   4          2HH2      ARG   4   1.116  -2.349   6.898
   36   HH22  ARG   4          1HH2      ARG   4   1.701  -0.784   6.445
   37    H    GLY   5           H        GLY   5   6.585  -4.970  -0.003
   38    HA2  GLY   5           2HA      GLY   5   8.116  -7.331   0.903
   39    HA3  GLY   5           3HA      GLY   5   6.713  -7.446  -0.151
   40    H    TRP   6           H        TRP   6   7.959  -4.797  -1.327
   41    HA   TRP   6           HA       TRP   6   9.423  -6.213  -3.407
   42    HB2  TRP   6           2HB      TRP   6   7.783  -4.691  -4.232
   43    HB3  TRP   6           3HB      TRP   6   8.360  -3.396  -3.186
   44    HD1  TRP   6           HD1      TRP   6   8.960  -1.685  -5.077
   45    HE1  TRP   6           HE1      TRP   6  10.751  -1.635  -6.925
   46    HE3  TRP   6           HE3      TRP   6  10.536  -6.541  -4.814
   47    HZ2  TRP   6           HZ2      TRP   6  12.588  -3.417  -8.115
   48    HZ3  TRP   6           HZ3      TRP   6  12.313  -7.289  -6.343
   49    HH2  TRP   6           HH2      TRP   6  13.317  -5.758  -7.958
   50    H    LYS   7           H        LYS   7   9.932  -3.208  -1.545
   51    HA   LYS   7           HA       LYS   7  12.825  -3.768  -1.637
   52    HB2  LYS   7           2HB      LYS   7  11.348  -1.150  -1.862
   53    HB3  LYS   7           3HB      LYS   7  13.053  -1.226  -1.436
   54    HG2  LYS   7           2HG      LYS   7  11.762  -2.137  -3.994
   55    HG3  LYS   7           3HG      LYS   7  12.901  -0.807  -3.770
   56    HD2  LYS   7           2HD      LYS   7  14.566  -2.533  -2.972
   57    HD3  LYS   7           3HD      LYS   7  13.434  -3.763  -3.540
   58    HE2  LYS   7           2HE      LYS   7  13.517  -2.372  -5.758
   59    HE3  LYS   7           3HE      LYS   7  15.045  -1.791  -5.099
   60    HZ1  LYS   7           3HZ      LYS   7  14.811  -4.004  -6.560
   61    HZ2  LYS   7           1HZ      LYS   7  14.656  -4.664  -5.010
   62    HZ3  LYS   7           2HZ      LYS   7  16.033  -3.768  -5.415
   63    H    ARG   8           H        ARG   8  11.360  -1.114   0.095
   64    HA   ARG   8           HA       ARG   8  11.971  -2.481   2.634
   65    HB2  ARG   8           2HB      ARG   8  12.469   0.366   1.792
   66    HB3  ARG   8           3HB      ARG   8  12.373  -0.087   3.488
   67    HG2  ARG   8           2HG      ARG   8  14.306  -1.377   3.381
   68    HG3  ARG   8           3HG      ARG   8  14.236  -1.503   1.623
   69    HD2  ARG   8           2HD      ARG   8  14.936   0.730   1.336
   70    HD3  ARG   8           3HD      ARG   8  14.640   1.122   3.029
   71    HE   ARG   8           HE       ARG   8  16.711   0.297   3.546
   72   HH11  ARG   8          1HH1      ARG   8  15.813  -0.786   0.362
   73   HH12  ARG   8          2HH1      ARG   8  17.368  -1.464   0.011
   74   HH21  ARG   8          2HH2      ARG   8  19.046  -1.353   1.567
   75   HH22  ARG   8          1HH2      ARG   8  18.764  -0.591   3.096
   76    H    LYS   9           H        LYS   9  10.708   0.705   2.706
   77    HA   LYS   9           HA       LYS   9   8.029  -0.345   3.345
   78    HB2  LYS   9           2HB      LYS   9   9.592   1.844   4.715
   79    HB3  LYS   9           3HB      LYS   9   7.869   1.594   4.963
   80    HG2  LYS   9           2HG      LYS   9   8.180  -0.222   6.258
   81    HG3  LYS   9           3HG      LYS   9   9.579  -0.777   5.334
   82    HD2  LYS   9           2HD      LYS   9  10.822   1.202   6.375
   83    HD3  LYS   9           3HD      LYS   9   9.465   1.304   7.500
   84    HE2  LYS   9           2HE      LYS   9   9.976  -0.697   8.507
   85    HE3  LYS   9           3HE      LYS   9  10.792  -1.331   7.079
   86    HZ1  LYS   9           3HZ      LYS   9  12.398  -0.849   8.774
   87    HZ2  LYS   9           1HZ      LYS   9  11.835   0.738   8.935
   88    HZ3  LYS   9           2HZ      LYS   9  12.604   0.254   7.509
   89    H    CYS  10           H        CYS  10   9.425   2.909   2.974
   90    HA   CYS  10           HA       CYS  10   7.133   3.815   1.512
   91    HB2  CYS  10           2HB      CYS  10   9.432   5.001   2.797
   92    HB3  CYS  10           3HB      CYS  10   9.201   5.692   1.196
   93    HG   CYS  10           HG       CYS  10   7.948   6.992   3.613
   94    HA   PRO  11           HA       PRO  11  10.207   4.097  -2.187
   95    HB2  PRO  11           2HB      PRO  11  12.705   3.091  -1.840
   96    HB3  PRO  11           3HB      PRO  11  12.283   4.766  -1.465
   97    HG2  PRO  11           2HG      PRO  11  12.543   2.420   0.376
   98    HG3  PRO  11           3HG      PRO  11  13.112   4.084   0.599
   99    HD2  PRO  11           2HD      PRO  11  10.846   3.154   1.750
  100    HD3  PRO  11           3HD      PRO  11  11.032   4.843   1.238
  101    H    LEU  12           H        LEU  12   9.508   2.632  -3.599
  102    HA   LEU  12           HA       LEU  12  10.080  -0.211  -3.081
  103    HB2  LEU  12           2HB      LEU  12   7.885  -0.012  -4.836
  104    HB3  LEU  12           3HB      LEU  12   7.914  -0.641  -3.190
  105    HG   LEU  12           HG       LEU  12   7.580   1.812  -2.476
  106   HD11  LEU  12          1HD1      LEU  12   8.061   2.706  -4.757
  107   HD12  LEU  12          2HD1      LEU  12   6.546   3.270  -4.054
  108   HD13  LEU  12          3HD1      LEU  12   6.530   2.013  -5.290
  109   HD21  LEU  12          3HD2      LEU  12   5.591   0.967  -1.979
  110   HD22  LEU  12          1HD2      LEU  12   5.784  -0.270  -3.222
  111   HD23  LEU  12          2HD2      LEU  12   5.055   1.283  -3.631
  112    H    PHE  13           H        PHE  13   8.635   1.307  -5.920
  113    HA   PHE  13           HA       PHE  13  10.812   0.193  -7.538
  114    HB2  PHE  13           2HB      PHE  13   8.169   1.279  -8.518
  115    HB3  PHE  13           3HB      PHE  13   9.315   0.285  -9.411
  116    HD1  PHE  13           HD1      PHE  13   6.932   0.274  -6.586
  117    HD2  PHE  13           HD2      PHE  13   9.234  -2.059  -9.300
  118    HE1  PHE  13           HE1      PHE  13   5.737  -1.748  -5.854
  119    HE2  PHE  13           HE2      PHE  13   8.044  -4.086  -8.573
  120    HZ   PHE  13           HZ       PHE  13   6.292  -3.932  -6.849
  121    H    GLY  14           H        GLY  14   9.117   2.454  -9.287
  122    HA2  GLY  14           2HA      GLY  14  11.216   4.483  -8.819
  123    HA3  GLY  14           3HA      GLY  14  10.521   4.144 -10.398
  124    H    LYS  15           H        LYS  15   8.345   4.118  -7.751
  125    HA   LYS  15           HA       LYS  15   7.190   6.639  -8.704
  126    HB2  LYS  15           2HB      LYS  15   5.931   4.578  -6.890
  127    HB3  LYS  15           3HB      LYS  15   5.123   5.921  -7.690
  128    HG2  LYS  15           2HG      LYS  15   4.546   4.345  -9.177
  129    HG3  LYS  15           3HG      LYS  15   6.160   4.648  -9.826
  130    HD2  LYS  15           2HD      LYS  15   6.875   2.609  -9.254
  131    HD3  LYS  15           3HD      LYS  15   6.179   2.734  -7.636
  132    HE2  LYS  15           2HE      LYS  15   4.959   0.994  -8.514
  133    HE3  LYS  15           3HE      LYS  15   3.922   2.365  -8.900
  134    HZ1  LYS  15           3HZ      LYS  15   5.866   1.830 -10.937
  135    HZ2  LYS  15           1HZ      LYS  15   4.191   2.031 -11.070
  136    HZ3  LYS  15           2HZ      LYS  15   4.832   0.518 -10.669
  137    H    GLY  16           H        GLY  16   5.812   6.065  -5.812
  138    HA2  GLY  16           2HA      GLY  16   7.759   7.771  -4.385
  139    HA3  GLY  16           3HA      GLY  16   6.021   7.988  -4.250
  140    H    GLY  17           H        GLY  17   4.894   5.774  -3.632
  141    HA2  GLY  17           2HA      GLY  17   5.750   3.695  -2.285
  142    HA3  GLY  17           3HA      GLY  17   6.210   4.953  -1.146
  Start of MODEL   10
    1    H21  PTL   1           H1       MET   1   1.469  -0.911   0.320
    2    H22  PTL   1           HA       MET   1   2.815  -0.646   1.411
    3    H31  PTL   1           2HB      MET   1   0.444  -2.083   1.953
    4    H32  PTL   1           3HB      MET   1   1.745  -3.264   1.906
    5    H41  PTL   1           2HG      MET   1   1.641  -0.791   3.618
    6    H42  PTL   1           3HG      MET   1   1.405  -2.453   4.157
    7    H51  PTL   1           H3       MET   1   3.699  -2.992   3.526
    8    H52  PTL   1           H2       MET   1   3.638  -1.657   4.701
    9    H53  PTL   1           H4       MET   1   3.936  -1.314   2.980
   10    H    VAL   2           H        VAL   2   2.731  -1.240  -1.524
   11    HA   VAL   2           HA       VAL   2   3.653  -3.814  -2.089
   12    HB   VAL   2           HB       VAL   2   4.290  -1.208  -3.476
   13   HG11  VAL   2          1HG1      VAL   2   5.939  -2.472  -4.388
   14   HG12  VAL   2          2HG1      VAL   2   5.122  -3.995  -4.031
   15   HG13  VAL   2          3HG1      VAL   2   4.609  -3.020  -5.408
   16   HG21  VAL   2          3HG2      VAL   2   2.622  -2.186  -5.141
   17   HG22  VAL   2          1HG2      VAL   2   2.180  -3.311  -3.857
   18   HG23  VAL   2          2HG2      VAL   2   1.974  -1.576  -3.619
   19    H    ALA   3           H        ALA   3   5.216  -1.184  -0.522
   20    HA   ALA   3           HA       ALA   3   7.905  -1.730  -1.085
   21    HB1  ALA   3           3HB      ALA   3   8.444  -0.348   0.750
   22    HB2  ALA   3           1HB      ALA   3   6.944   0.300   0.084
   23    HB3  ALA   3           2HB      ALA   3   6.907  -0.680   1.549
   24    H    ARG   4           H        ARG   4   5.770  -2.981   1.453
   25    HA   ARG   4           HA       ARG   4   7.692  -4.463   2.856
   26    HB2  ARG   4           2HB      ARG   4   5.569  -4.058   3.876
   27    HB3  ARG   4           3HB      ARG   4   4.714  -4.828   2.548
   28    HG2  ARG   4           2HG      ARG   4   6.663  -6.504   3.996
   29    HG3  ARG   4           3HG      ARG   4   5.209  -6.036   4.880
   30    HD2  ARG   4           2HD      ARG   4   4.343  -6.798   2.327
   31    HD3  ARG   4           3HD      ARG   4   5.538  -8.002   2.805
   32    HE   ARG   4           HE       ARG   4   4.074  -8.779   4.384
   33   HH11  ARG   4          1HH1      ARG   4   3.018  -5.648   3.288
   34   HH12  ARG   4          2HH1      ARG   4   1.505  -5.720   4.128
   35   HH21  ARG   4          2HH2      ARG   4   0.976  -7.561   5.385
   36   HH22  ARG   4          1HH2      ARG   4   2.086  -8.885   5.496
   37    H    GLY   5           H        GLY   5   6.296  -4.970  -0.217
   38    HA2  GLY   5           2HA      GLY   5   7.260  -7.763  -0.218
   39    HA3  GLY   5           3HA      GLY   5   5.922  -7.194  -1.204
   40    H    TRP   6           H        TRP   6   8.197  -4.799  -1.155
   41    HA   TRP   6           HA       TRP   6   9.464  -5.812  -3.617
   42    HB2  TRP   6           2HB      TRP   6   7.970  -4.065  -4.259
   43    HB3  TRP   6           3HB      TRP   6   8.506  -3.032  -2.938
   44    HD1  TRP   6           HD1      TRP   6   9.386  -1.028  -4.364
   45    HE1  TRP   6           HE1      TRP   6  11.325  -0.738  -6.031
   46    HE3  TRP   6           HE3      TRP   6  10.631  -5.943  -5.023
   47    HZ2  TRP   6           HZ2      TRP   6  13.141  -2.377  -7.441
   48    HZ3  TRP   6           HZ3      TRP   6  12.480  -6.496  -6.549
   49    HH2  TRP   6           HH2      TRP   6  13.708  -4.749  -7.732
   50    H    LYS   7           H        LYS   7  10.038  -2.943  -1.601
   51    HA   LYS   7           HA       LYS   7  12.822  -3.852  -1.268
   52    HB2  LYS   7           2HB      LYS   7  11.673  -1.086  -1.599
   53    HB3  LYS   7           3HB      LYS   7  13.289  -1.354  -0.958
   54    HG2  LYS   7           2HG      LYS   7  12.269  -2.115  -3.684
   55    HG3  LYS   7           3HG      LYS   7  13.455  -0.867  -3.293
   56    HD2  LYS   7           2HD      LYS   7  14.889  -2.702  -2.324
   57    HD3  LYS   7           3HD      LYS   7  13.755  -3.854  -3.034
   58    HE2  LYS   7           2HE      LYS   7  15.027  -3.745  -4.866
   59    HE3  LYS   7           3HE      LYS   7  14.317  -2.154  -5.126
   60    HZ1  LYS   7           3HZ      LYS   7  16.195  -1.109  -4.480
   61    HZ2  LYS   7           1HZ      LYS   7  16.922  -2.554  -4.976
   62    HZ3  LYS   7           2HZ      LYS   7  16.610  -2.283  -3.336
   63    H    ARG   8           H        ARG   8  11.453  -1.080   0.345
   64    HA   ARG   8           HA       ARG   8  11.546  -2.558   2.894
   65    HB2  ARG   8           2HB      ARG   8  12.435   0.260   2.281
   66    HB3  ARG   8           3HB      ARG   8  12.182  -0.330   3.918
   67    HG2  ARG   8           2HG      ARG   8  14.085  -1.529   3.925
   68    HG3  ARG   8           3HG      ARG   8  13.928  -1.988   2.229
   69    HD2  ARG   8           2HD      ARG   8  14.383   0.665   1.986
   70    HD3  ARG   8           3HD      ARG   8  15.292   0.316   3.456
   71    HE   ARG   8           HE       ARG   8  15.963  -0.468   0.786
   72   HH11  ARG   8          1HH1      ARG   8  16.276  -1.312   4.149
   73   HH12  ARG   8          2HH1      ARG   8  17.739  -2.212   3.922
   74   HH21  ARG   8          2HH2      ARG   8  18.656  -2.402   1.831
   75   HH22  ARG   8          1HH2      ARG   8  17.889  -1.650   0.474
   76    H    LYS   9           H        LYS   9  10.727   0.712   3.139
   77    HA   LYS   9           HA       LYS   9   7.850   0.075   3.154
   78    HB2  LYS   9           2HB      LYS   9   9.485   1.594   5.174
   79    HB3  LYS   9           3HB      LYS   9   7.748   1.833   5.036
   80    HG2  LYS   9           2HG      LYS   9   7.568   0.173   6.505
   81    HG3  LYS   9           3HG      LYS   9   7.969  -0.898   5.161
   82    HD2  LYS   9           2HD      LYS   9  10.318  -0.814   5.756
   83    HD3  LYS   9           3HD      LYS   9   9.976   0.347   7.041
   84    HE2  LYS   9           2HE      LYS   9   8.327  -2.010   7.295
   85    HE3  LYS   9           3HE      LYS   9  10.037  -2.436   7.245
   86    HZ1  LYS   9           3HZ      LYS   9   9.294  -0.201   8.960
   87    HZ2  LYS   9           1HZ      LYS   9  10.443  -1.420   9.204
   88    HZ3  LYS   9           2HZ      LYS   9   8.802  -1.738   9.470
   89    H    CYS  10           H        CYS  10   9.927   2.960   3.475
   90    HA   CYS  10           HA       CYS  10   8.091   4.627   2.083
   91    HB2  CYS  10           2HB      CYS  10  10.649   4.924   3.439
   92    HB3  CYS  10           3HB      CYS  10  10.560   5.905   1.982
   93    HG   CYS  10           HG       CYS  10   8.766   7.636   2.801
   94    HA   PRO  11           HA       PRO  11  11.262   4.392  -1.548
   95    HB2  PRO  11           2HB      PRO  11  13.262   2.568  -1.349
   96    HB3  PRO  11           3HB      PRO  11  13.407   4.223  -0.744
   97    HG2  PRO  11           2HG      PRO  11  12.787   1.706   0.753
   98    HG3  PRO  11           3HG      PRO  11  13.868   3.037   1.203
   99    HD2  PRO  11           2HD      PRO  11  11.372   2.780   2.219
  100    HD3  PRO  11           3HD      PRO  11  12.134   4.362   1.946
  101    H    LEU  12           H        LEU  12  10.290   3.423  -3.205
  102    HA   LEU  12           HA       LEU  12   9.756   0.530  -3.032
  103    HB2  LEU  12           2HB      LEU  12   7.754   2.082  -2.888
  104    HB3  LEU  12           3HB      LEU  12   8.085   2.503  -4.567
  105    HG   LEU  12           HG       LEU  12   7.866  -0.015  -5.031
  106   HD11  LEU  12          1HD1      LEU  12   7.615  -0.096  -2.263
  107   HD12  LEU  12          2HD1      LEU  12   7.296  -1.407  -3.398
  108   HD13  LEU  12          3HD1      LEU  12   5.982  -0.355  -2.873
  109   HD21  LEU  12          3HD2      LEU  12   5.656   0.282  -5.605
  110   HD22  LEU  12          1HD2      LEU  12   6.198   1.952  -5.436
  111   HD23  LEU  12          2HD2      LEU  12   5.284   1.187  -4.137
  112    H    PHE  13           H        PHE  13   8.646   1.635  -5.914
  113    HA   PHE  13           HA       PHE  13  10.996   0.625  -7.311
  114    HB2  PHE  13           2HB      PHE  13   8.179   1.236  -8.208
  115    HB3  PHE  13           3HB      PHE  13   9.456   0.772  -9.326
  116    HD1  PHE  13           HD1      PHE  13   7.112  -0.360  -6.812
  117    HD2  PHE  13           HD2      PHE  13  10.450  -1.479  -9.203
  118    HE1  PHE  13           HE1      PHE  13   6.633  -2.732  -6.363
  119    HE2  PHE  13           HE2      PHE  13   9.977  -3.852  -8.758
  120    HZ   PHE  13           HZ       PHE  13   8.066  -4.481  -7.338
  121    H    GLY  14           H        GLY  14   9.156   2.638  -9.273
  122    HA2  GLY  14           2HA      GLY  14  11.065   4.865  -8.915
  123    HA3  GLY  14           3HA      GLY  14  10.645   4.250 -10.507
  124    H    LYS  15           H        LYS  15   8.116   4.310  -8.198
  125    HA   LYS  15           HA       LYS  15   7.009   6.718  -9.488
  126    HB2  LYS  15           2HB      LYS  15   4.948   5.191  -8.252
  127    HB3  LYS  15           3HB      LYS  15   5.178   5.537  -9.961
  128    HG2  LYS  15           2HG      LYS  15   5.152   3.245  -9.955
  129    HG3  LYS  15           3HG      LYS  15   6.883   3.571  -9.847
  130    HD2  LYS  15           2HD      LYS  15   6.324   1.856  -8.259
  131    HD3  LYS  15           3HD      LYS  15   6.710   3.335  -7.376
  132    HE2  LYS  15           2HE      LYS  15   4.761   3.114  -6.327
  133    HE3  LYS  15           3HE      LYS  15   3.970   3.480  -7.859
  134    HZ1  LYS  15           3HZ      LYS  15   4.805   0.738  -7.616
  135    HZ2  LYS  15           1HZ      LYS  15   3.314   1.377  -8.100
  136    HZ3  LYS  15           2HZ      LYS  15   3.662   1.194  -6.455
  137    H    GLY  16           H        GLY  16   5.909   4.932  -6.633
  138    HA2  GLY  16           2HA      GLY  16   6.372   7.382  -5.045
  139    HA3  GLY  16           3HA      GLY  16   4.919   6.407  -4.879
  140    H    GLY  17           H        GLY  17   4.893   5.021  -3.242
  141    HA2  GLY  17           2HA      GLY  17   6.058   3.078  -2.230
  142    HA3  GLY  17           3HA      GLY  17   7.494   4.091  -2.189
  Start of MODEL   11
    1    H21  PTL   1           H1       PTL   1   1.854  -2.339   1.617
    2    H22  PTL   1           HA       PTL   1   1.115  -1.806   0.119
    3    H31  PTL   1           2HB      PTL   1   3.531  -0.507   1.393
    4    H32  PTL   1           3HB      PTL   1   2.753   0.011  -0.098
    5    H41  PTL   1           2HG      PTL   1   0.757   0.615   1.088
    6    H42  PTL   1           3HG      PTL   1   1.399  -0.053   2.587
    7    H51  PTL   1           H3       PTL   1   3.169   1.625   2.586
    8    H52  PTL   1           H2       PTL   1   1.554   2.374   2.565
    9    H53  PTL   1           H4       PTL   1   2.521   2.299   1.072
   10    H    VAL   2           H        VAL   2   2.652  -1.581  -1.788
   11    HA   VAL   2           HA       VAL   2   3.810  -4.073  -2.350
   12    HB   VAL   2           HB       VAL   2   4.219  -1.420  -3.734
   13   HG11  VAL   2          1HG1      VAL   2   5.983  -2.580  -4.595
   14   HG12  VAL   2          2HG1      VAL   2   5.232  -4.152  -4.315
   15   HG13  VAL   2          3HG1      VAL   2   4.711  -3.153  -5.672
   16   HG21  VAL   2          3HG2      VAL   2   2.303  -1.781  -4.841
   17   HG22  VAL   2          1HG2      VAL   2   2.631  -3.503  -5.034
   18   HG23  VAL   2          2HG2      VAL   2   1.930  -2.902  -3.532
   19    H    ALA   3           H        ALA   3   5.064  -1.324  -0.730
   20    HA   ALA   3           HA       ALA   3   7.809  -1.596  -1.270
   21    HB1  ALA   3           3HB      ALA   3   6.698   0.363  -0.170
   22    HB2  ALA   3           1HB      ALA   3   6.613  -0.597   1.306
   23    HB3  ALA   3           2HB      ALA   3   8.182  -0.185   0.612
   24    H    ARG   4           H        ARG   4   5.920  -2.770   1.521
   25    HA   ARG   4           HA       ARG   4   7.961  -4.149   2.803
   26    HB2  ARG   4           2HB      ARG   4   5.791  -3.721   3.843
   27    HB3  ARG   4           3HB      ARG   4   5.014  -4.814   2.706
   28    HG2  ARG   4           2HG      ARG   4   5.410  -5.766   4.977
   29    HG3  ARG   4           3HG      ARG   4   6.102  -6.704   3.651
   30    HD2  ARG   4           2HD      ARG   4   8.198  -6.392   4.378
   31    HD3  ARG   4           3HD      ARG   4   7.918  -4.685   4.723
   32    HE   ARG   4           HE       ARG   4   7.533  -5.230   6.910
   33   HH11  ARG   4          1HH1      ARG   4   7.333  -8.113   4.969
   34   HH12  ARG   4          2HH1      ARG   4   7.216  -9.178   6.331
   35   HH21  ARG   4          2HH2      ARG   4   7.242  -8.329   8.458
   36   HH22  ARG   4          1HH2      ARG   4   7.380  -6.622   8.710
   37    H    GLY   5           H        GLY   5   6.239  -4.932  -0.080
   38    HA2  GLY   5           2HA      GLY   5   7.284  -7.687  -0.017
   39    HA3  GLY   5           3HA      GLY   5   5.967  -7.126  -1.038
   40    H    TRP   6           H        TRP   6   8.244  -4.757  -1.095
   41    HA   TRP   6           HA       TRP   6   9.565  -5.915  -3.462
   42    HB2  TRP   6           2HB      TRP   6   8.067  -4.235  -4.252
   43    HB3  TRP   6           3HB      TRP   6   8.560  -3.107  -2.992
   44    HD1  TRP   6           HD1      TRP   6   9.456  -1.190  -4.519
   45    HE1  TRP   6           HE1      TRP   6  11.424  -0.986  -6.165
   46    HE3  TRP   6           HE3      TRP   6  10.755  -6.123  -4.845
   47    HZ2  TRP   6           HZ2      TRP   6  13.282  -2.691  -7.433
   48    HZ3  TRP   6           HZ3      TRP   6  12.640  -6.753  -6.297
   49    HH2  TRP   6           HH2      TRP   6  13.875  -5.071  -7.564
   50    H    LYS   7           H        LYS   7  10.068  -2.906  -1.643
   51    HA   LYS   7           HA       LYS   7  12.851  -3.761  -1.182
   52    HB2  LYS   7           2HB      LYS   7  11.692  -1.040  -1.758
   53    HB3  LYS   7           3HB      LYS   7  13.291  -1.240  -1.052
   54    HG2  LYS   7           2HG      LYS   7  12.354  -2.220  -3.738
   55    HG3  LYS   7           3HG      LYS   7  13.524  -0.939  -3.411
   56    HD2  LYS   7           2HD      LYS   7  14.932  -2.690  -2.257
   57    HD3  LYS   7           3HD      LYS   7  13.827  -3.896  -2.919
   58    HE2  LYS   7           2HE      LYS   7  14.416  -2.428  -5.132
   59    HE3  LYS   7           3HE      LYS   7  15.931  -2.326  -4.236
   60    HZ1  LYS   7           3HZ      LYS   7  16.349  -4.507  -4.518
   61    HZ2  LYS   7           1HZ      LYS   7  15.335  -4.331  -5.861
   62    HZ3  LYS   7           2HZ      LYS   7  14.722  -4.964  -4.418
   63    H    ARG   8           H        ARG   8  11.370  -0.899   0.175
   64    HA   ARG   8           HA       ARG   8  11.470  -2.159   2.837
   65    HB2  ARG   8           2HB      ARG   8  12.206   0.659   2.035
   66    HB3  ARG   8           3HB      ARG   8  12.010   0.141   3.703
   67    HG2  ARG   8           2HG      ARG   8  14.239  -0.149   3.546
   68    HG3  ARG   8           3HG      ARG   8  13.750  -1.713   2.891
   69    HD2  ARG   8           2HD      ARG   8  15.024  -1.177   1.133
   70    HD3  ARG   8           3HD      ARG   8  13.698  -0.109   0.675
   71    HE   ARG   8           HE       ARG   8  15.415   1.236   2.453
   72   HH11  ARG   8          1HH1      ARG   8  15.306   0.048  -0.817
   73   HH12  ARG   8          2HH1      ARG   8  16.409   1.239  -1.425
   74   HH21  ARG   8          2HH2      ARG   8  17.297   2.809  -0.011
   75   HH22  ARG   8          1HH2      ARG   8  16.868   2.809   1.666
   76    H    LYS   9           H        LYS   9  10.504   1.058   2.884
   77    HA   LYS   9           HA       LYS   9   7.656   0.306   2.839
   78    HB2  LYS   9           2HB      LYS   9   7.646   2.349   4.596
   79    HB3  LYS   9           3HB      LYS   9   7.781   0.662   5.074
   80    HG2  LYS   9           2HG      LYS   9   9.989   0.845   5.616
   81    HG3  LYS   9           3HG      LYS   9  10.278   2.153   4.467
   82    HD2  LYS   9           2HD      LYS   9  10.417   3.106   6.637
   83    HD3  LYS   9           3HD      LYS   9   8.873   3.622   5.957
   84    HE2  LYS   9           2HE      LYS   9   8.662   1.110   7.397
   85    HE3  LYS   9           3HE      LYS   9   9.274   2.413   8.416
   86    HZ1  LYS   9           3HZ      LYS   9   6.683   2.205   7.032
   87    HZ2  LYS   9           1HZ      LYS   9   7.317   3.729   7.406
   88    HZ3  LYS   9           2HZ      LYS   9   7.005   2.616   8.641
   89    H    CYS  10           H        CYS  10   9.692   3.234   2.998
   90    HA   CYS  10           HA       CYS  10   7.812   4.797   1.527
   91    HB2  CYS  10           2HB      CYS  10  10.401   5.216   2.834
   92    HB3  CYS  10           3HB      CYS  10  10.195   6.172   1.371
   93    HG   CYS  10           HG       CYS  10   7.418   6.629   2.809
   94    HA   PRO  11           HA       PRO  11  11.018   4.455  -2.061
   95    HB2  PRO  11           2HB      PRO  11  13.075   2.711  -1.748
   96    HB3  PRO  11           3HB      PRO  11  13.160   4.400  -1.233
   97    HG2  PRO  11           2HG      PRO  11  12.608   1.950   0.396
   98    HG3  PRO  11           3HG      PRO  11  13.642   3.340   0.779
   99    HD2  PRO  11           2HD      PRO  11  11.146   3.059   1.789
  100    HD3  PRO  11           3HD      PRO  11  11.860   4.644   1.435
  101    H    LEU  12           H        LEU  12  10.180   3.345  -3.706
  102    HA   LEU  12           HA       LEU  12   9.669   0.465  -3.346
  103    HB2  LEU  12           2HB      LEU  12   7.656   2.038  -3.417
  104    HB3  LEU  12           3HB      LEU  12   8.045   2.262  -5.122
  105    HG   LEU  12           HG       LEU  12   7.870  -0.318  -5.255
  106   HD11  LEU  12          1HD1      LEU  12   5.823  -0.360  -3.231
  107   HD12  LEU  12          2HD1      LEU  12   7.395   0.015  -2.526
  108   HD13  LEU  12          3HD1      LEU  12   7.184  -1.455  -3.477
  109   HD21  LEU  12          3HD2      LEU  12   5.232   0.967  -4.740
  110   HD22  LEU  12          1HD2      LEU  12   5.737  -0.089  -6.060
  111   HD23  LEU  12          2HD2      LEU  12   6.253   1.597  -6.034
  112    H    PHE  13           H        PHE  13   8.662   1.275  -6.340
  113    HA   PHE  13           HA       PHE  13  11.100   0.244  -7.555
  114    HB2  PHE  13           2HB      PHE  13   8.303   0.677  -8.601
  115    HB3  PHE  13           3HB      PHE  13   9.638   0.181  -9.636
  116    HD1  PHE  13           HD1      PHE  13   7.293  -0.839  -7.054
  117    HD2  PHE  13           HD2      PHE  13  10.660  -2.024  -9.373
  118    HE1  PHE  13           HE1      PHE  13   6.886  -3.187  -6.440
  119    HE2  PHE  13           HE2      PHE  13  10.258  -4.373  -8.763
  120    HZ   PHE  13           HZ       PHE  13   8.369  -4.958  -7.295
  121    H    GLY  14           H        GLY  14   8.874   2.452  -9.144
  122    HA2  GLY  14           2HA      GLY  14  11.107   4.366  -9.444
  123    HA3  GLY  14           3HA      GLY  14  10.013   3.971 -10.762
  124    H    LYS  15           H        LYS  15   8.247   4.008  -7.962
  125    HA   LYS  15           HA       LYS  15   7.416   6.792  -8.440
  126    HB2  LYS  15           2HB      LYS  15   5.233   6.042  -7.401
  127    HB3  LYS  15           3HB      LYS  15   5.606   5.355  -8.976
  128    HG2  LYS  15           2HG      LYS  15   6.401   3.850  -6.535
  129    HG3  LYS  15           3HG      LYS  15   4.704   3.861  -7.021
  130    HD2  LYS  15           2HD      LYS  15   6.616   3.343  -9.194
  131    HD3  LYS  15           3HD      LYS  15   6.561   2.103  -7.939
  132    HE2  LYS  15           2HE      LYS  15   3.985   2.292  -8.242
  133    HE3  LYS  15           3HE      LYS  15   4.399   3.032  -9.788
  134    HZ1  LYS  15           3HZ      LYS  15   5.162   0.318  -8.858
  135    HZ2  LYS  15           1HZ      LYS  15   5.729   1.030 -10.285
  136    HZ3  LYS  15           2HZ      LYS  15   4.080   0.699 -10.101
  137    H    GLY  16           H        GLY  16   5.807   5.695  -5.805
  138    HA2  GLY  16           2HA      GLY  16   7.787   6.908  -3.979
  139    HA3  GLY  16           3HA      GLY  16   6.045   7.025  -3.770
  140    H    GLY  17           H        GLY  17   5.148   5.681  -2.354
  141    HA2  GLY  17           2HA      GLY  17   6.457   3.091  -1.852
  142    HA3  GLY  17           3HA      GLY  17   6.082   4.152  -0.503
  Start of MODEL   12
    1    H21  PTL   1           H1       MET   1   1.919  -2.104   1.904
    2    H22  PTL   1           HA       MET   1   1.018  -1.678   0.462
    3    H31  PTL   1           2HB      MET   1   2.571   0.137  -0.050
    4    H32  PTL   1           3HB      MET   1   1.885   0.337   1.556
    5    H41  PTL   1           2HG      MET   1   4.256  -1.148   1.864
    6    H42  PTL   1           3HG      MET   1   4.619   0.184   0.770
    7    H51  PTL   1           H3       MET   1   3.717   1.771   2.391
    8    H52  PTL   1           H2       MET   1   5.039   0.803   3.086
    9    H53  PTL   1           H4       MET   1   3.349   0.424   3.494
   10    H    VAL   2           H        VAL   2   2.810  -1.237  -1.461
   11    HA   VAL   2           HA       VAL   2   3.684  -3.846  -2.160
   12    HB   VAL   2           HB       VAL   2   4.272  -1.179  -3.450
   13   HG11  VAL   2          1HG1      VAL   2   4.605  -2.927  -5.445
   14   HG12  VAL   2          2HG1      VAL   2   5.933  -2.388  -4.413
   15   HG13  VAL   2          3HG1      VAL   2   5.141  -3.932  -4.099
   16   HG21  VAL   2          3HG2      VAL   2   2.602  -2.868  -5.008
   17   HG22  VAL   2          1HG2      VAL   2   1.942  -2.800  -3.374
   18   HG23  VAL   2          2HG2      VAL   2   2.215  -1.310  -4.278
   19    H    ALA   3           H        ALA   3   5.162  -1.227  -0.493
   20    HA   ALA   3           HA       ALA   3   7.872  -1.716  -1.058
   21    HB1  ALA   3           3HB      ALA   3   6.799  -0.665   1.551
   22    HB2  ALA   3           1HB      ALA   3   8.373  -0.352   0.818
   23    HB3  ALA   3           2HB      ALA   3   6.911   0.309   0.085
   24    H    ARG   4           H        ARG   4   5.729  -3.007   1.452
   25    HA   ARG   4           HA       ARG   4   7.674  -4.466   2.862
   26    HB2  ARG   4           2HB      ARG   4   4.696  -4.863   2.571
   27    HB3  ARG   4           3HB      ARG   4   5.693  -5.827   3.651
   28    HG2  ARG   4           2HG      ARG   4   5.518  -4.281   5.219
   29    HG3  ARG   4           3HG      ARG   4   6.248  -3.086   4.145
   30    HD2  ARG   4           2HD      ARG   4   4.253  -2.180   3.581
   31    HD3  ARG   4           3HD      ARG   4   3.412  -3.728   3.639
   32    HE   ARG   4           HE       ARG   4   3.539  -1.795   5.706
   33   HH11  ARG   4          1HH1      ARG   4   3.536  -5.232   5.152
   34   HH12  ARG   4          2HH1      ARG   4   2.848  -5.612   6.696
   35   HH21  ARG   4          2HH2      ARG   4   2.334  -3.933   8.168
   36   HH22  ARG   4          1HH2      ARG   4   2.634  -2.282   7.742
   37    H    GLY   5           H        GLY   5   6.312  -4.965  -0.215
   38    HA2  GLY   5           2HA      GLY   5   7.263  -7.763  -0.212
   39    HA3  GLY   5           3HA      GLY   5   5.920  -7.197  -1.194
   40    H    TRP   6           H        TRP   6   8.207  -4.804  -1.142
   41    HA   TRP   6           HA       TRP   6   9.463  -5.814  -3.610
   42    HB2  TRP   6           2HB      TRP   6   7.967  -4.066  -4.246
   43    HB3  TRP   6           3HB      TRP   6   8.510  -3.032  -2.928
   44    HD1  TRP   6           HD1      TRP   6   9.406  -1.029  -4.334
   45    HE1  TRP   6           HE1      TRP   6  11.330  -0.743  -6.020
   46    HE3  TRP   6           HE3      TRP   6  10.596  -5.948  -5.052
   47    HZ2  TRP   6           HZ2      TRP   6  13.115  -2.385  -7.462
   48    HZ3  TRP   6           HZ3      TRP   6  12.423  -6.506  -6.602
   49    HH2  TRP   6           HH2      TRP   6  13.656  -4.760  -7.781
   50    H    LYS   7           H        LYS   7  10.043  -2.945  -1.596
   51    HA   LYS   7           HA       LYS   7  12.825  -3.858  -1.261
   52    HB2  LYS   7           2HB      LYS   7  11.686  -1.091  -1.614
   53    HB3  LYS   7           3HB      LYS   7  13.300  -1.359  -0.967
   54    HG2  LYS   7           2HG      LYS   7  12.281  -2.136  -3.689
   55    HG3  LYS   7           3HG      LYS   7  13.472  -0.892  -3.305
   56    HD2  LYS   7           2HD      LYS   7  14.896  -2.726  -2.319
   57    HD3  LYS   7           3HD      LYS   7  13.760  -3.877  -3.025
   58    HE2  LYS   7           2HE      LYS   7  14.869  -3.750  -4.944
   59    HE3  LYS   7           3HE      LYS   7  14.438  -2.045  -5.058
   60    HZ1  LYS   7           3HZ      LYS   7  16.765  -2.130  -5.177
   61    HZ2  LYS   7           1HZ      LYS   7  16.889  -3.231  -3.899
   62    HZ3  LYS   7           2HZ      LYS   7  16.434  -1.631  -3.594
   63    H    ARG   8           H        ARG   8  11.460  -1.070   0.332
   64    HA   ARG   8           HA       ARG   8  11.551  -2.529   2.891
   65    HB2  ARG   8           2HB      ARG   8  12.428   0.292   2.268
   66    HB3  ARG   8           3HB      ARG   8  12.198  -0.307   3.905
   67    HG2  ARG   8           2HG      ARG   8  14.146  -1.398   1.884
   68    HG3  ARG   8           3HG      ARG   8  14.540  -0.369   3.263
   69    HD2  ARG   8           2HD      ARG   8  13.399  -3.158   3.349
   70    HD3  ARG   8           3HD      ARG   8  15.029  -2.669   3.806
   71    HE   ARG   8           HE       ARG   8  13.375  -1.180   5.399
   72   HH11  ARG   8          1HH1      ARG   8  13.851  -4.576   4.796
   73   HH12  ARG   8          2HH1      ARG   8  13.380  -5.059   6.391
   74   HH21  ARG   8          2HH2      ARG   8  12.754  -3.480   7.930
   75   HH22  ARG   8          1HH2      ARG   8  12.752  -1.803   7.502
   76    H    LYS   9           H        LYS   9  10.734   0.738   3.126
   77    HA   LYS   9           HA       LYS   9   7.856   0.103   3.137
   78    HB2  LYS   9           2HB      LYS   9   7.987   2.074   4.974
   79    HB3  LYS   9           3HB      LYS   9   8.057   0.364   5.379
   80    HG2  LYS   9           2HG      LYS   9  10.600   1.772   4.762
   81    HG3  LYS   9           3HG      LYS   9   9.818   2.078   6.315
   82    HD2  LYS   9           2HD      LYS   9  10.078  -0.751   5.474
   83    HD3  LYS   9           3HD      LYS   9  11.562   0.086   5.933
   84    HE2  LYS   9           2HE      LYS   9  11.020   0.065   8.101
   85    HE3  LYS   9           3HE      LYS   9   9.366   0.584   7.777
   86    HZ1  LYS   9           3HZ      LYS   9   8.788  -1.467   8.363
   87    HZ2  LYS   9           1HZ      LYS   9  10.379  -2.041   8.298
   88    HZ3  LYS   9           2HZ      LYS   9   9.439  -1.992   6.893
   89    H    CYS  10           H        CYS  10   9.931   2.991   3.451
   90    HA   CYS  10           HA       CYS  10   8.098   4.651   2.049
   91    HB2  CYS  10           2HB      CYS  10  10.644   4.955   3.419
   92    HB3  CYS  10           3HB      CYS  10  10.579   5.918   1.948
   93    HG   CYS  10           HG       CYS  10   7.851   6.787   2.977
   94    HA   PRO  11           HA       PRO  11  11.271   4.404  -1.578
   95    HB2  PRO  11           2HB      PRO  11  13.275   2.584  -1.370
   96    HB3  PRO  11           3HB      PRO  11  13.417   4.242  -0.772
   97    HG2  PRO  11           2HG      PRO  11  12.800   1.730   0.737
   98    HG3  PRO  11           3HG      PRO  11  13.879   3.066   1.180
   99    HD2  PRO  11           2HD      PRO  11  11.382   2.810   2.196
  100    HD3  PRO  11           3HD      PRO  11  12.141   4.390   1.916
  101    H    LEU  12           H        LEU  12  10.292   3.427  -3.227
  102    HA   LEU  12           HA       LEU  12   9.770   0.533  -3.044
  103    HB2  LEU  12           2HB      LEU  12   7.765   2.086  -2.902
  104    HB3  LEU  12           3HB      LEU  12   8.089   2.489  -4.588
  105    HG   LEU  12           HG       LEU  12   7.879  -0.041  -5.015
  106   HD11  LEU  12          1HD1      LEU  12   7.609  -0.071  -2.246
  107   HD12  LEU  12          2HD1      LEU  12   7.304  -1.403  -3.359
  108   HD13  LEU  12          3HD1      LEU  12   5.981  -0.347  -2.866
  109   HD21  LEU  12          3HD2      LEU  12   5.292   1.172  -4.156
  110   HD22  LEU  12          1HD2      LEU  12   5.676   0.251  -5.611
  111   HD23  LEU  12          2HD2      LEU  12   6.215   1.924  -5.458
  112    H    PHE  13           H        PHE  13   8.650   1.618  -5.927
  113    HA   PHE  13           HA       PHE  13  10.999   0.610  -7.325
  114    HB2  PHE  13           2HB      PHE  13   8.177   1.212  -8.211
  115    HB3  PHE  13           3HB      PHE  13   9.452   0.761  -9.339
  116    HD1  PHE  13           HD1      PHE  13   7.145  -0.398  -6.795
  117    HD2  PHE  13           HD2      PHE  13  10.446  -1.485  -9.252
  118    HE1  PHE  13           HE1      PHE  13   6.686  -2.775  -6.354
  119    HE2  PHE  13           HE2      PHE  13   9.991  -3.863  -8.816
  120    HZ   PHE  13           HZ       PHE  13   8.109  -4.511  -7.366
  121    H    GLY  14           H        GLY  14   9.149   2.622  -9.281
  122    HA2  GLY  14           2HA      GLY  14  11.060   4.849  -8.937
  123    HA3  GLY  14           3HA      GLY  14  10.637   4.230 -10.526
  124    H    LYS  15           H        LYS  15   8.169   4.371  -8.118
  125    HA   LYS  15           HA       LYS  15   7.047   6.759  -9.431
  126    HB2  LYS  15           2HB      LYS  15   4.974   5.227  -8.223
  127    HB3  LYS  15           3HB      LYS  15   5.215   5.590  -9.927
  128    HG2  LYS  15           2HG      LYS  15   5.172   3.296  -9.938
  129    HG3  LYS  15           3HG      LYS  15   6.904   3.616  -9.832
  130    HD2  LYS  15           2HD      LYS  15   6.345   1.890  -8.257
  131    HD3  LYS  15           3HD      LYS  15   6.740   3.359  -7.363
  132    HE2  LYS  15           2HE      LYS  15   4.787   3.180  -6.320
  133    HE3  LYS  15           3HE      LYS  15   3.987   3.485  -7.861
  134    HZ1  LYS  15           3HZ      LYS  15   3.845   1.188  -6.355
  135    HZ2  LYS  15           1HZ      LYS  15   4.829   0.780  -7.669
  136    HZ3  LYS  15           2HZ      LYS  15   3.278   1.399  -7.935
  137    H    GLY  16           H        GLY  16   5.921   4.946  -6.605
  138    HA2  GLY  16           2HA      GLY  16   6.399   7.369  -4.981
  139    HA3  GLY  16           3HA      GLY  16   4.934   6.410  -4.839
  140    H    GLY  17           H        GLY  17   4.881   5.008  -3.215
  141    HA2  GLY  17           2HA      GLY  17   5.993   3.042  -2.207
  142    HA3  GLY  17           3HA      GLY  17   7.461   4.007  -2.177
  Start of MODEL   13
    1    H21  PTL   1           HA2      MET   1   1.353  -0.636  -0.481
    2    H22  PTL   1           HA3      MET   1   2.736   0.017   0.445
    3    H31  PTL   1           2HB      MET   1   0.754  -2.094   1.283
    4    H32  PTL   1           3HB      MET   1   2.279  -1.847   2.124
    5    H41  PTL   1           2HG      MET   1   0.675   0.576   1.724
    6    H42  PTL   1           3HG      MET   1  -0.048  -0.640   2.771
    7    H51  PTL   1           2        MET   1   1.261   0.978   4.042
    8    H52  PTL   1           3        MET   1   1.949  -0.658   4.159
    9    H53  PTL   1           H1       MET   1   2.703   0.550   3.092
   10    H    VAL   2           H        VAL   2   2.673  -1.298  -2.212
   11    HA   VAL   2           HA       VAL   2   3.613  -3.912  -2.170
   12    HB   VAL   2           HB       VAL   2   4.209  -1.653  -4.073
   13   HG11  VAL   2          1HG1      VAL   2   5.276  -4.424  -3.992
   14   HG12  VAL   2          2HG1      VAL   2   4.829  -3.752  -5.563
   15   HG13  VAL   2          3HG1      VAL   2   6.031  -2.936  -4.562
   16   HG21  VAL   2          3HG2      VAL   2   1.915  -2.354  -4.107
   17   HG22  VAL   2          1HG2      VAL   2   2.706  -2.976  -5.556
   18   HG23  VAL   2          2HG2      VAL   2   2.386  -4.052  -4.195
   19    H    ALA   3           H        ALA   3   5.171  -0.999  -1.202
   20    HA   ALA   3           HA       ALA   3   7.852  -1.525  -1.569
   21    HB1  ALA   3           3HB      ALA   3   7.995  -0.291   0.781
   22    HB2  ALA   3           1HB      ALA   3   7.559   0.555  -0.704
   23    HB3  ALA   3           2HB      ALA   3   6.300   0.035   0.417
   24    H    ARG   4           H        ARG   4   5.867  -2.435   1.251
   25    HA   ARG   4           HA       ARG   4   7.823  -3.779   2.690
   26    HB2  ARG   4           2HB      ARG   4   4.862  -4.372   2.527
   27    HB3  ARG   4           3HB      ARG   4   5.947  -4.996   3.763
   28    HG2  ARG   4           2HG      ARG   4   5.904  -3.092   4.929
   29    HG3  ARG   4           3HG      ARG   4   6.028  -2.090   3.481
   30    HD2  ARG   4           2HD      ARG   4   3.818  -1.759   3.397
   31    HD3  ARG   4           3HD      ARG   4   3.468  -3.460   3.704
   32    HE   ARG   4           HE       ARG   4   4.339  -1.985   6.023
   33   HH11  ARG   4          1HH1      ARG   4   1.623  -2.968   4.079
   34   HH12  ARG   4          2HH1      ARG   4   0.472  -2.781   5.360
   35   HH21  ARG   4          2HH2      ARG   4   1.161  -2.079   7.429
   36   HH22  ARG   4          1HH2      ARG   4   2.833  -1.735   7.718
   37    H    GLY   5           H        GLY   5   6.196  -4.702  -0.204
   38    HA2  GLY   5           2HA      GLY   5   7.183  -7.466   0.072
   39    HA3  GLY   5           3HA      GLY   5   5.892  -6.960  -1.008
   40    H    TRP   6           H        TRP   6   8.209  -4.630  -1.173
   41    HA   TRP   6           HA       TRP   6   9.554  -5.958  -3.435
   42    HB2  TRP   6           2HB      TRP   6   8.099  -4.323  -4.374
   43    HB3  TRP   6           3HB      TRP   6   8.564  -3.120  -3.174
   44    HD1  TRP   6           HD1      TRP   6   9.419  -1.337  -4.915
   45    HE1  TRP   6           HE1      TRP   6  11.470  -1.233  -6.467
   46    HE3  TRP   6           HE3      TRP   6  10.924  -6.212  -4.601
   47    HZ2  TRP   6           HZ2      TRP   6  13.462  -2.986  -7.431
   48    HZ3  TRP   6           HZ3      TRP   6  12.911  -6.919  -5.869
   49    HH2  TRP   6           HH2      TRP   6  14.152  -5.337  -7.254
   50    H    LYS   7           H        LYS   7  10.074  -2.826  -1.850
   51    HA   LYS   7           HA       LYS   7  12.861  -3.637  -1.362
   52    HB2  LYS   7           2HB      LYS   7  11.598  -0.952  -1.875
   53    HB3  LYS   7           3HB      LYS   7  13.205  -1.097  -1.176
   54    HG2  LYS   7           2HG      LYS   7  12.305  -2.081  -3.873
   55    HG3  LYS   7           3HG      LYS   7  13.408  -0.746  -3.534
   56    HD2  LYS   7           2HD      LYS   7  14.800  -2.569  -2.301
   57    HD3  LYS   7           3HD      LYS   7  13.859  -3.694  -3.283
   58    HE2  LYS   7           2HE      LYS   7  14.571  -2.385  -5.298
   59    HE3  LYS   7           3HE      LYS   7  15.653  -1.473  -4.248
   60    HZ1  LYS   7           3HZ      LYS   7  16.698  -3.377  -5.441
   61    HZ2  LYS   7           1HZ      LYS   7  15.748  -4.424  -4.512
   62    HZ3  LYS   7           2HZ      LYS   7  16.883  -3.421  -3.760
   63    H    ARG   8           H        ARG   8  11.279  -0.867   0.081
   64    HA   ARG   8           HA       ARG   8  11.511  -2.166   2.716
   65    HB2  ARG   8           2HB      ARG   8  12.037   0.711   1.960
   66    HB3  ARG   8           3HB      ARG   8  11.939   0.134   3.619
   67    HG2  ARG   8           2HG      ARG   8  13.926  -0.816   1.565
   68    HG3  ARG   8           3HG      ARG   8  14.250   0.363   2.837
   69    HD2  ARG   8           2HD      ARG   8  13.450  -1.471   4.451
   70    HD3  ARG   8           3HD      ARG   8  13.668  -2.569   3.089
   71    HE   ARG   8           HE       ARG   8  16.017  -1.121   3.329
   72   HH11  ARG   8          1HH1      ARG   8  14.164  -3.359   5.247
   73   HH12  ARG   8          2HH1      ARG   8  15.545  -3.993   6.078
   74   HH21  ARG   8          2HH2      ARG   8  17.638  -3.189   5.606
   75   HH22  ARG   8          1HH2      ARG   8  17.843  -1.947   4.416
   76    H    LYS   9           H        LYS   9  10.352   0.971   2.884
   77    HA   LYS   9           HA       LYS   9   7.551   0.063   2.835
   78    HB2  LYS   9           2HB      LYS   9   7.188   1.688   4.750
   79    HB3  LYS   9           3HB      LYS   9   8.079   0.222   5.139
   80    HG2  LYS   9           2HG      LYS   9  10.186   1.618   4.751
   81    HG3  LYS   9           3HG      LYS   9   9.113   3.018   4.837
   82    HD2  LYS   9           2HD      LYS   9   9.218   0.902   6.976
   83    HD3  LYS   9           3HD      LYS   9  10.243   2.338   6.999
   84    HE2  LYS   9           2HE      LYS   9   8.586   3.499   7.915
   85    HE3  LYS   9           3HE      LYS   9   7.586   3.185   6.498
   86    HZ1  LYS   9           3HZ      LYS   9   7.567   0.874   8.039
   87    HZ2  LYS   9           1HZ      LYS   9   6.289   1.951   7.775
   88    HZ3  LYS   9           2HZ      LYS   9   7.310   2.161   9.107
   89    H    CYS  10           H        CYS  10   9.631   2.954   2.874
   90    HA   CYS  10           HA       CYS  10   7.590   4.560   1.618
   91    HB2  CYS  10           2HB      CYS  10  10.151   5.014   2.927
   92    HB3  CYS  10           3HB      CYS  10   9.976   5.977   1.465
   93    HG   CYS  10           HG       CYS  10   8.594   6.402   4.437
   94    HA   PRO  11           HA       PRO  11  10.696   4.495  -2.068
   95    HB2  PRO  11           2HB      PRO  11  12.852   2.856  -1.873
   96    HB3  PRO  11           3HB      PRO  11  12.862   4.528  -1.302
   97    HG2  PRO  11           2HG      PRO  11  12.491   1.998   0.253
   98    HG3  PRO  11           3HG      PRO  11  13.460   3.426   0.657
   99    HD2  PRO  11           2HD      PRO  11  11.013   2.976   1.726
  100    HD3  PRO  11           3HD      PRO  11  11.630   4.610   1.409
  101    H    LEU  12           H        LEU  12  10.073   3.355  -3.803
  102    HA   LEU  12           HA       LEU  12   9.560   0.473  -3.464
  103    HB2  LEU  12           2HB      LEU  12   7.535   1.995  -3.659
  104    HB3  LEU  12           3HB      LEU  12   8.040   2.283  -5.323
  105    HG   LEU  12           HG       LEU  12   7.897  -0.262  -5.605
  106   HD11  LEU  12          1HD1      LEU  12   7.266  -1.521  -3.894
  107   HD12  LEU  12          2HD1      LEU  12   5.812  -0.550  -3.666
  108   HD13  LEU  12          3HD1      LEU  12   7.314  -0.093  -2.862
  109   HD21  LEU  12          3HD2      LEU  12   5.739  -0.068  -6.396
  110   HD22  LEU  12          1HD2      LEU  12   6.249   1.619  -6.329
  111   HD23  LEU  12          2HD2      LEU  12   5.225   0.957  -5.055
  112    H    PHE  13           H        PHE  13   8.747   1.289  -6.523
  113    HA   PHE  13           HA       PHE  13  11.239   0.227  -7.579
  114    HB2  PHE  13           2HB      PHE  13   8.545   0.767  -8.830
  115    HB3  PHE  13           3HB      PHE  13   9.938   0.214  -9.755
  116    HD1  PHE  13           HD1      PHE  13   7.298  -0.715  -7.463
  117    HD2  PHE  13           HD2      PHE  13  10.896  -2.021  -9.326
  118    HE1  PHE  13           HE1      PHE  13   6.746  -3.043  -6.890
  119    HE2  PHE  13           HE2      PHE  13  10.348  -4.351  -8.756
  120    HZ   PHE  13           HZ       PHE  13   8.271  -4.865  -7.538
  121    H    GLY  14           H        GLY  14   9.179   2.542  -9.249
  122    HA2  GLY  14           2HA      GLY  14  11.494   4.375  -9.394
  123    HA3  GLY  14           3HA      GLY  14  10.453   4.051 -10.772
  124    H    LYS  15           H        LYS  15   8.517   4.084  -8.105
  125    HA   LYS  15           HA       LYS  15   7.818   6.907  -8.555
  126    HB2  LYS  15           2HB      LYS  15   5.573   6.205  -7.598
  127    HB3  LYS  15           3HB      LYS  15   5.981   5.549  -9.177
  128    HG2  LYS  15           2HG      LYS  15   6.659   3.950  -6.766
  129    HG3  LYS  15           3HG      LYS  15   4.972   4.040  -7.277
  130    HD2  LYS  15           2HD      LYS  15   6.950   3.492  -9.401
  131    HD3  LYS  15           3HD      LYS  15   6.716   2.213  -8.209
  132    HE2  LYS  15           2HE      LYS  15   4.682   1.699  -8.997
  133    HE3  LYS  15           3HE      LYS  15   4.221   3.392  -9.166
  134    HZ1  LYS  15           3HZ      LYS  15   5.706   3.386 -11.199
  135    HZ2  LYS  15           1HZ      LYS  15   4.248   2.537 -11.326
  136    HZ3  LYS  15           2HZ      LYS  15   5.698   1.699 -11.089
  137    H    GLY  16           H        GLY  16   6.077   5.813  -5.995
  138    HA2  GLY  16           2HA      GLY  16   8.042   6.895  -4.071
  139    HA3  GLY  16           3HA      GLY  16   6.309   7.167  -3.952
  140    H    GLY  17           H        GLY  17   5.127   5.808  -2.745
  141    HA2  GLY  17           2HA      GLY  17   4.729   3.410  -2.186
  142    HA3  GLY  17           3HA      GLY  17   6.451   3.324  -1.844
  Start of MODEL   14
    1    H21  PTL   1           H1       MET   1   1.978  -0.548   1.041
    2    H22  PTL   1           HA       MET   1   1.462  -0.196  -0.597
    3    H31  PTL   1           2HB      MET   1   3.687   0.824  -1.071
    4    H32  PTL   1           3HB      MET   1   2.769   1.673   0.164
    5    H41  PTL   1           2HG      MET   1   4.682  -0.404   1.059
    6    H42  PTL   1           3HG      MET   1   5.337   1.111   0.441
    7    H51  PTL   1           H3       MET   1   4.008   2.356   2.065
    8    H52  PTL   1           H2       MET   1   5.083   1.180   2.860
    9    H53  PTL   1           H4       MET   1   3.347   0.826   2.688
   10    H    VAL   2           H        VAL   2   3.519  -0.749  -2.193
   11    HA   VAL   2           HA       VAL   2   3.719  -3.638  -1.993
   12    HB   VAL   2           HB       VAL   2   4.678  -1.781  -4.176
   13   HG11  VAL   2          1HG1      VAL   2   4.849  -4.696  -3.768
   14   HG12  VAL   2          2HG1      VAL   2   4.346  -4.167  -5.373
   15   HG13  VAL   2          3HG1      VAL   2   5.882  -3.617  -4.704
   16   HG21  VAL   2          3HG2      VAL   2   2.502  -3.415  -4.980
   17   HG22  VAL   2          1HG2      VAL   2   2.059  -2.627  -3.466
   18   HG23  VAL   2          2HG2      VAL   2   2.565  -1.657  -4.850
   19    H    ALA   3           H        ALA   3   5.642  -0.902  -1.299
   20    HA   ALA   3           HA       ALA   3   8.223  -1.936  -1.741
   21    HB1  ALA   3           3HB      ALA   3   8.568  -0.233   0.360
   22    HB2  ALA   3           1HB      ALA   3   8.499   0.249  -1.336
   23    HB3  ALA   3           2HB      ALA   3   7.052   0.346  -0.332
   24    H    ARG   4           H        ARG   4   5.928  -2.369   0.853
   25    HA   ARG   4           HA       ARG   4   7.581  -3.262   2.895
   26    HB2  ARG   4           2HB      ARG   4   5.656  -4.258   3.865
   27    HB3  ARG   4           3HB      ARG   4   5.091  -2.834   3.003
   28    HG2  ARG   4           2HG      ARG   4   4.572  -4.421   1.074
   29    HG3  ARG   4           3HG      ARG   4   4.784  -5.718   2.252
   30    HD2  ARG   4           2HD      ARG   4   3.051  -4.722   3.660
   31    HD3  ARG   4           3HD      ARG   4   2.847  -3.418   2.492
   32    HE   ARG   4           HE       ARG   4   1.605  -4.830   1.183
   33   HH11  ARG   4          1HH1      ARG   4   3.320  -6.692   3.573
   34   HH12  ARG   4          2HH1      ARG   4   2.497  -8.169   3.201
   35   HH21  ARG   4          2HH2      ARG   4   0.902  -8.214   1.558
   36   HH22  ARG   4          1HH2      ARG   4   0.515  -6.770   0.685
   37    H    GLY   5           H        GLY   5   6.467  -4.912   0.013
   38    HA2  GLY   5           2HA      GLY   5   8.046  -7.272   0.842
   39    HA3  GLY   5           3HA      GLY   5   6.568  -7.394  -0.102
   40    H    TRP   6           H        TRP   6   8.278  -4.696  -1.065
   41    HA   TRP   6           HA       TRP   6   9.411  -6.179  -3.340
   42    HB2  TRP   6           2HB      TRP   6   7.723  -4.657  -4.092
   43    HB3  TRP   6           3HB      TRP   6   8.387  -3.346  -3.122
   44    HD1  TRP   6           HD1      TRP   6   8.982  -1.669  -5.021
   45    HE1  TRP   6           HE1      TRP   6  10.618  -1.714  -7.008
   46    HE3  TRP   6           HE3      TRP   6  10.279  -6.613  -4.896
   47    HZ2  TRP   6           HZ2      TRP   6  12.242  -3.595  -8.346
   48    HZ3  TRP   6           HZ3      TRP   6  11.879  -7.456  -6.564
   49    HH2  TRP   6           HH2      TRP   6  12.839  -5.976  -8.253
   50    H    LYS   7           H        LYS   7  10.004  -3.154  -1.538
   51    HA   LYS   7           HA       LYS   7  12.891  -3.711  -1.760
   52    HB2  LYS   7           2HB      LYS   7  11.339  -1.310  -2.394
   53    HB3  LYS   7           3HB      LYS   7  12.714  -0.994  -1.343
   54    HG2  LYS   7           2HG      LYS   7  13.098  -0.792  -3.840
   55    HG3  LYS   7           3HG      LYS   7  14.252  -1.771  -2.930
   56    HD2  LYS   7           2HD      LYS   7  13.205  -3.798  -3.667
   57    HD3  LYS   7           3HD      LYS   7  11.878  -2.900  -4.409
   58    HE2  LYS   7           2HE      LYS   7  13.717  -3.778  -5.950
   59    HE3  LYS   7           3HE      LYS   7  13.243  -2.090  -6.131
   60    HZ1  LYS   7           3HZ      LYS   7  15.217  -1.353  -5.347
   61    HZ2  LYS   7           1HZ      LYS   7  15.758  -2.841  -5.943
   62    HZ3  LYS   7           2HZ      LYS   7  15.434  -2.657  -4.292
   63    H    ARG   8           H        ARG   8  11.362  -1.107   0.034
   64    HA   ARG   8           HA       ARG   8  12.184  -2.419   2.542
   65    HB2  ARG   8           2HB      ARG   8  12.454   0.469   1.716
   66    HB3  ARG   8           3HB      ARG   8  12.564  -0.051   3.393
   67    HG2  ARG   8           2HG      ARG   8  14.661  -0.745   3.142
   68    HG3  ARG   8           3HG      ARG   8  14.282  -1.603   1.647
   69    HD2  ARG   8           2HD      ARG   8  14.166   0.898   0.729
   70    HD3  ARG   8           3HD      ARG   8  15.290   1.154   2.063
   71    HE   ARG   8           HE       ARG   8  16.020  -1.080   0.440
   72   HH11  ARG   8          1HH1      ARG   8  16.144   2.392   0.670
   73   HH12  ARG   8          2HH1      ARG   8  17.561   2.536  -0.316
   74   HH21  ARG   8          2HH2      ARG   8  18.551   0.663  -1.186
   75   HH22  ARG   8          1HH2      ARG   8  17.886  -0.902  -0.859
   76    H    LYS   9           H        LYS   9  10.800   0.696   2.734
   77    HA   LYS   9           HA       LYS   9   8.190  -0.469   3.458
   78    HB2  LYS   9           2HB      LYS   9   9.700   1.779   4.798
   79    HB3  LYS   9           3HB      LYS   9   8.017   1.394   5.138
   80    HG2  LYS   9           2HG      LYS   9   8.674  -0.083   6.644
   81    HG3  LYS   9           3HG      LYS   9   9.485  -1.006   5.377
   82    HD2  LYS   9           2HD      LYS   9  11.335  -0.582   6.589
   83    HD3  LYS   9           3HD      LYS   9  11.276   0.987   5.781
   84    HE2  LYS   9           2HE      LYS   9   9.904   1.824   7.699
   85    HE3  LYS   9           3HE      LYS   9  10.209   0.292   8.514
   86    HZ1  LYS   9           3HZ      LYS   9  12.620   1.485   7.568
   87    HZ2  LYS   9           1HZ      LYS   9  12.214   0.975   9.129
   88    HZ3  LYS   9           2HZ      LYS   9  11.787   2.526   8.609
   89    H    CYS  10           H        CYS  10   9.478   2.829   3.054
   90    HA   CYS  10           HA       CYS  10   7.080   3.696   1.746
   91    HB2  CYS  10           2HB      CYS  10   9.505   4.924   2.813
   92    HB3  CYS  10           3HB      CYS  10   8.975   5.669   1.308
   93    HG   CYS  10           HG       CYS  10   6.915   6.937   2.242
   94    HA   PRO  11           HA       PRO  11   9.903   4.092  -2.135
   95    HB2  PRO  11           2HB      PRO  11  12.452   3.174  -1.953
   96    HB3  PRO  11           3HB      PRO  11  11.996   4.830  -1.539
   97    HG2  PRO  11           2HG      PRO  11  12.454   2.485   0.265
   98    HG3  PRO  11           3HG      PRO  11  12.977   4.168   0.462
   99    HD2  PRO  11           2HD      PRO  11  10.822   3.152   1.748
  100    HD3  PRO  11           3HD      PRO  11  10.916   4.849   1.237
  101    H    LEU  12           H        LEU  12   9.346   2.627  -3.611
  102    HA   LEU  12           HA       LEU  12   9.896  -0.214  -3.057
  103    HB2  LEU  12           2HB      LEU  12   7.775  -0.018  -4.903
  104    HB3  LEU  12           3HB      LEU  12   7.736  -0.641  -3.254
  105    HG   LEU  12           HG       LEU  12   7.382   1.819  -2.567
  106   HD11  LEU  12          1HD1      LEU  12   6.419   3.271  -4.187
  107   HD12  LEU  12          2HD1      LEU  12   6.424   2.005  -5.414
  108   HD13  LEU  12          3HD1      LEU  12   7.948   2.687  -4.845
  109   HD21  LEU  12          3HD2      LEU  12   4.913   1.220  -3.864
  110   HD22  LEU  12          1HD2      LEU  12   5.342   1.051  -2.162
  111   HD23  LEU  12          2HD2      LEU  12   5.635  -0.281  -3.281
  112    H    PHE  13           H        PHE  13   8.560   1.264  -5.967
  113    HA   PHE  13           HA       PHE  13  10.799   0.142  -7.488
  114    HB2  PHE  13           2HB      PHE  13   8.201   1.239  -8.571
  115    HB3  PHE  13           3HB      PHE  13   9.379   0.245  -9.423
  116    HD1  PHE  13           HD1      PHE  13   6.924   0.224  -6.652
  117    HD2  PHE  13           HD2      PHE  13   9.257  -2.091  -9.357
  118    HE1  PHE  13           HE1      PHE  13   5.701  -1.800  -5.970
  119    HE2  PHE  13           HE2      PHE  13   8.038  -4.118  -8.680
  120    HZ   PHE  13           HZ       PHE  13   6.257  -3.974  -6.985
  121    H    GLY  14           H        GLY  14   9.173   2.421  -9.293
  122    HA2  GLY  14           2HA      GLY  14  11.284   4.423  -8.770
  123    HA3  GLY  14           3HA      GLY  14  10.622   4.096 -10.366
  124    H    LYS  15           H        LYS  15   8.412   4.112  -7.735
  125    HA   LYS  15           HA       LYS  15   7.294   6.636  -8.727
  126    HB2  LYS  15           2HB      LYS  15   5.983   4.608  -6.912
  127    HB3  LYS  15           3HB      LYS  15   5.204   5.947  -7.744
  128    HG2  LYS  15           2HG      LYS  15   4.636   4.354  -9.217
  129    HG3  LYS  15           3HG      LYS  15   6.259   4.639  -9.847
  130    HD2  LYS  15           2HD      LYS  15   7.038   2.830  -8.243
  131    HD3  LYS  15           3HD      LYS  15   5.332   2.445  -8.007
  132    HE2  LYS  15           2HE      LYS  15   5.618   2.578 -10.758
  133    HE3  LYS  15           3HE      LYS  15   7.102   1.796 -10.216
  134    HZ1  LYS  15           3HZ      LYS  15   5.555   0.085 -10.567
  135    HZ2  LYS  15           1HZ      LYS  15   4.313   0.912  -9.771
  136    HZ3  LYS  15           2HZ      LYS  15   5.610   0.284  -8.888
  137    H    GLY  16           H        GLY  16   5.869   6.099  -5.852
  138    HA2  GLY  16           2HA      GLY  16   7.816   7.790  -4.408
  139    HA3  GLY  16           3HA      GLY  16   6.079   8.029  -4.298
  140    H    GLY  17           H        GLY  17   4.962   5.743  -3.752
  141    HA2  GLY  17           2HA      GLY  17   5.792   3.701  -2.351
  142    HA3  GLY  17           3HA      GLY  17   6.194   4.972  -1.205
  Start of MODEL   15
    1    H21  PTL   1           HA2      MET   1   1.294  -1.677   0.169
    2    H22  PTL   1           HA3      MET   1   2.663  -1.073   1.148
    3    H31  PTL   1           2HB      MET   1   0.666  -2.284   2.321
    4    H32  PTL   1           3HB      MET   1   1.442  -3.748   1.734
    5    H41  PTL   1           2HG      MET   1   2.260  -3.483   3.894
    6    H42  PTL   1           3HG      MET   1   3.553  -2.879   2.860
    7    H51  PTL   1           2        MET   1   1.680  -0.792   3.593
    8    H52  PTL   1           3        MET   1   2.414  -1.573   5.013
    9    H53  PTL   1           H1       MET   1   3.451  -0.851   3.762
   10    H    VAL   2           H        VAL   2   2.611  -1.899  -1.683
   11    HA   VAL   2           HA       VAL   2   3.795  -4.414  -2.060
   12    HB   VAL   2           HB       VAL   2   4.044  -1.899  -3.712
   13   HG11  VAL   2          1HG1      VAL   2   4.544  -3.776  -5.500
   14   HG12  VAL   2          2HG1      VAL   2   5.832  -3.069  -4.523
   15   HG13  VAL   2          3HG1      VAL   2   5.149  -4.635  -4.084
   16   HG21  VAL   2          3HG2      VAL   2   1.791  -2.559  -3.710
   17   HG22  VAL   2          1HG2      VAL   2   2.457  -3.241  -5.195
   18   HG23  VAL   2          2HG2      VAL   2   2.204  -4.273  -3.787
   19    H    ALA   3           H        ALA   3   5.077  -1.460  -0.843
   20    HA   ALA   3           HA       ALA   3   7.801  -1.809  -1.474
   21    HB1  ALA   3           3HB      ALA   3   7.889  -0.421   0.855
   22    HB2  ALA   3           1HB      ALA   3   7.576   0.297  -0.726
   23    HB3  ALA   3           2HB      ALA   3   6.230  -0.116   0.338
   24    H    ARG   4           H        ARG   4   5.942  -2.683   1.432
   25    HA   ARG   4           HA       ARG   4   8.038  -3.770   2.914
   26    HB2  ARG   4           2HB      ARG   4   5.951  -3.358   3.993
   27    HB3  ARG   4           3HB      ARG   4   5.090  -4.404   2.872
   28    HG2  ARG   4           2HG      ARG   4   7.246  -5.638   4.480
   29    HG3  ARG   4           3HG      ARG   4   5.768  -5.170   5.324
   30    HD2  ARG   4           2HD      ARG   4   5.019  -6.452   2.911
   31    HD3  ARG   4           3HD      ARG   4   6.247  -7.451   3.688
   32    HE   ARG   4           HE       ARG   4   4.502  -6.817   5.692
   33   HH11  ARG   4          1HH1      ARG   4   4.231  -8.324   2.566
   34   HH12  ARG   4          2HH1      ARG   4   2.888  -9.322   3.019
   35   HH21  ARG   4          2HH2      ARG   4   2.038  -9.207   5.142
   36   HH22  ARG   4          1HH2      ARG   4   2.735  -8.125   6.300
   37    H    GLY   5           H        GLY   5   6.507  -4.944   0.090
   38    HA2  GLY   5           2HA      GLY   5   7.739  -7.599   0.507
   39    HA3  GLY   5           3HA      GLY   5   6.289  -7.337  -0.450
   40    H    TRP   6           H        TRP   6   8.421  -4.819  -0.948
   41    HA   TRP   6           HA       TRP   6   9.540  -6.138  -3.336
   42    HB2  TRP   6           2HB      TRP   6   7.850  -4.547  -4.021
   43    HB3  TRP   6           3HB      TRP   6   8.573  -3.291  -3.019
   44    HD1  TRP   6           HD1      TRP   6   9.224  -1.602  -4.894
   45    HE1  TRP   6           HE1      TRP   6  10.863  -1.669  -6.877
   46    HE3  TRP   6           HE3      TRP   6  10.343  -6.590  -4.853
   47    HZ2  TRP   6           HZ2      TRP   6  12.424  -3.583  -8.243
   48    HZ3  TRP   6           HZ3      TRP   6  11.919  -7.459  -6.532
   49    HH2  TRP   6           HH2      TRP   6  12.935  -5.985  -8.191
   50    H    LYS   7           H        LYS   7  10.114  -2.956  -1.876
   51    HA   LYS   7           HA       LYS   7  12.971  -3.643  -1.719
   52    HB2  LYS   7           2HB      LYS   7  11.509  -1.228  -2.526
   53    HB3  LYS   7           3HB      LYS   7  12.853  -0.917  -1.434
   54    HG2  LYS   7           2HG      LYS   7  13.416  -0.780  -3.859
   55    HG3  LYS   7           3HG      LYS   7  14.409  -1.908  -2.933
   56    HD2  LYS   7           2HD      LYS   7  12.043  -3.190  -4.011
   57    HD3  LYS   7           3HD      LYS   7  13.021  -2.448  -5.281
   58    HE2  LYS   7           2HE      LYS   7  14.254  -4.173  -3.157
   59    HE3  LYS   7           3HE      LYS   7  13.536  -4.874  -4.606
   60    HZ1  LYS   7           3HZ      LYS   7  15.603  -2.758  -4.733
   61    HZ2  LYS   7           1HZ      LYS   7  15.084  -3.789  -5.971
   62    HZ3  LYS   7           2HZ      LYS   7  15.997  -4.403  -4.687
   63    H    ARG   8           H        ARG   8  11.308  -0.972  -0.135
   64    HA   ARG   8           HA       ARG   8  12.026  -2.153   2.468
   65    HB2  ARG   8           2HB      ARG   8  12.096   0.755   1.640
   66    HB3  ARG   8           3HB      ARG   8  12.348   0.177   3.282
   67    HG2  ARG   8           2HG      ARG   8  14.429  -0.625   2.834
   68    HG3  ARG   8           3HG      ARG   8  14.054  -0.963   1.144
   69    HD2  ARG   8           2HD      ARG   8  14.867   1.005   0.500
   70    HD3  ARG   8           3HD      ARG   8  13.881   1.861   1.684
   71    HE   ARG   8           HE       ARG   8  15.939   0.807   3.136
   72   HH11  ARG   8          1HH1      ARG   8  15.696   2.881   0.351
   73   HH12  ARG   8          2HH1      ARG   8  17.163   3.735   0.697
   74   HH21  ARG   8          2HH2      ARG   8  18.401   3.189   2.546
   75   HH22  ARG   8          1HH2      ARG   8  17.872   1.923   3.602
   76    H    LYS   9           H        LYS   9  10.586   0.819   2.836
   77    HA   LYS   9           HA       LYS   9   7.900  -0.364   3.092
   78    HB2  LYS   9           2HB      LYS   9   7.619   1.206   5.072
   79    HB3  LYS   9           3HB      LYS   9   8.672  -0.180   5.319
   80    HG2  LYS   9           2HG      LYS   9  10.593   1.394   4.729
   81    HG3  LYS   9           3HG      LYS   9   9.425   2.697   4.952
   82    HD2  LYS   9           2HD      LYS   9   9.929   0.590   7.040
   83    HD3  LYS   9           3HD      LYS   9  10.846   2.096   6.966
   84    HE2  LYS   9           2HE      LYS   9   8.901   3.399   7.345
   85    HE3  LYS   9           3HE      LYS   9   7.840   2.015   7.088
   86    HZ1  LYS   9           3HZ      LYS   9   8.835   1.004   9.098
   87    HZ2  LYS   9           1HZ      LYS   9   8.001   2.441   9.417
   88    HZ3  LYS   9           2HZ      LYS   9   9.691   2.438   9.370
   89    H    CYS  10           H        CYS  10   9.667   2.727   2.964
   90    HA   CYS  10           HA       CYS  10   7.336   4.114   1.970
   91    HB2  CYS  10           2HB      CYS  10   9.870   4.839   3.135
   92    HB3  CYS  10           3HB      CYS  10   9.613   5.743   1.648
   93    HG   CYS  10           HG       CYS  10   6.821   5.826   3.326
   94    HA   PRO  11           HA       PRO  11  10.058   4.493  -1.989
   95    HB2  PRO  11           2HB      PRO  11  12.408   3.135  -2.044
   96    HB3  PRO  11           3HB      PRO  11  12.267   4.785  -1.429
   97    HG2  PRO  11           2HG      PRO  11  12.361   2.202   0.081
   98    HG3  PRO  11           3HG      PRO  11  13.181   3.734   0.434
   99    HD2  PRO  11           2HD      PRO  11  10.923   2.962   1.713
  100    HD3  PRO  11           3HD      PRO  11  11.300   4.665   1.387
  101    H    LEU  12           H        LEU  12   9.599   3.291  -3.760
  102    HA   LEU  12           HA       LEU  12   9.321   0.379  -3.394
  103    HB2  LEU  12           2HB      LEU  12   7.187   1.763  -3.603
  104    HB3  LEU  12           3HB      LEU  12   7.661   2.026  -5.280
  105    HG   LEU  12           HG       LEU  12   7.674  -0.505  -5.517
  106   HD11  LEU  12          1HD1      LEU  12   5.732  -0.906  -3.431
  107   HD12  LEU  12          2HD1      LEU  12   7.277  -0.386  -2.759
  108   HD13  LEU  12          3HD1      LEU  12   7.201  -1.814  -3.790
  109   HD21  LEU  12          3HD2      LEU  12   5.494  -0.482  -6.230
  110   HD22  LEU  12          1HD2      LEU  12   5.814   1.248  -6.118
  111   HD23  LEU  12          2HD2      LEU  12   4.929   0.430  -4.831
  112    H    PHE  13           H        PHE  13   8.430   1.048  -6.451
  113    HA   PHE  13           HA       PHE  13  10.889   0.046  -7.548
  114    HB2  PHE  13           2HB      PHE  13   8.237   0.830  -8.742
  115    HB3  PHE  13           3HB      PHE  13   9.607   0.379  -9.751
  116    HD1  PHE  13           HD1      PHE  13   7.109  -0.804  -7.362
  117    HD2  PHE  13           HD2      PHE  13  10.403  -1.899  -9.827
  118    HE1  PHE  13           HE1      PHE  13   6.524  -3.178  -7.086
  119    HE2  PHE  13           HE2      PHE  13   9.821  -4.274  -9.556
  120    HZ   PHE  13           HZ       PHE  13   7.879  -4.916  -8.185
  121    H    GLY  14           H        GLY  14   9.166   2.489  -9.324
  122    HA2  GLY  14           2HA      GLY  14  11.509   4.274  -9.066
  123    HA3  GLY  14           3HA      GLY  14  10.716   3.976 -10.606
  124    H    LYS  15           H        LYS  15   8.548   4.118  -8.009
  125    HA   LYS  15           HA       LYS  15   7.788   6.852  -8.785
  126    HB2  LYS  15           2HB      LYS  15   5.551   6.157  -7.726
  127    HB3  LYS  15           3HB      LYS  15   5.974   5.456  -9.282
  128    HG2  LYS  15           2HG      LYS  15   6.725   3.977  -6.815
  129    HG3  LYS  15           3HG      LYS  15   5.033   3.984  -7.318
  130    HD2  LYS  15           2HD      LYS  15   7.055   3.416  -9.408
  131    HD3  LYS  15           3HD      LYS  15   6.801   2.171  -8.183
  132    HE2  LYS  15           2HE      LYS  15   4.730   1.674  -8.933
  133    HE3  LYS  15           3HE      LYS  15   4.356   3.351  -9.329
  134    HZ1  LYS  15           3HZ      LYS  15   4.672   2.799 -11.439
  135    HZ2  LYS  15           1HZ      LYS  15   5.268   1.269 -11.031
  136    HZ3  LYS  15           2HZ      LYS  15   6.317   2.595 -11.103
  137    H    GLY  16           H        GLY  16   6.125   5.779  -6.084
  138    HA2  GLY  16           2HA      GLY  16   7.960   7.253  -4.294
  139    HA3  GLY  16           3HA      GLY  16   6.211   7.406  -4.205
  140    H    GLY  17           H        GLY  17   5.175   5.021  -4.117
  141    HA2  GLY  17           2HA      GLY  17   5.107   2.947  -3.037
  142    HA3  GLY  17           3HA      GLY  17   6.706   3.262  -2.379
  Start of MODEL   16
    1    H21  PTL   1           HA2      MET   1   1.332  -1.753   1.432
    2    H22  PTL   1           HA3      MET   1   0.563  -1.569  -0.172
    3    H31  PTL   1           2HB      MET   1   2.449  -0.009  -0.771
    4    H32  PTL   1           3HB      MET   1   1.343   0.590   0.459
    5    H41  PTL   1           2HG      MET   1   2.989  -0.199   2.180
    6    H42  PTL   1           3HG      MET   1   4.109  -0.511   0.857
    7    H51  PTL   1           2        MET   1   4.393   1.721   0.382
    8    H52  PTL   1           3        MET   1   2.836   2.176   1.115
    9    H53  PTL   1           H1       MET   1   4.213   1.741   2.153
   10    H    VAL   2           H        VAL   2   2.372  -1.682  -1.998
   11    HA   VAL   2           HA       VAL   2   3.319  -4.365  -1.960
   12    HB   VAL   2           HB       VAL   2   2.620  -2.830  -3.979
   13   HG11  VAL   2          1HG1      VAL   2   4.429  -1.821  -5.160
   14   HG12  VAL   2          2HG1      VAL   2   4.472  -1.209  -3.505
   15   HG13  VAL   2          3HG1      VAL   2   5.609  -2.458  -4.014
   16   HG21  VAL   2          3HG2      VAL   2   3.247  -4.559  -5.279
   17   HG22  VAL   2          1HG2      VAL   2   4.927  -4.483  -4.746
   18   HG23  VAL   2          2HG2      VAL   2   3.720  -5.294  -3.747
   19    H    ALA   3           H        ALA   3   4.657  -1.386  -0.952
   20    HA   ALA   3           HA       ALA   3   7.361  -1.636  -1.394
   21    HB1  ALA   3           3HB      ALA   3   7.665  -0.020   0.206
   22    HB2  ALA   3           1HB      ALA   3   5.950   0.191  -0.149
   23    HB3  ALA   3           2HB      ALA   3   6.450  -0.705   1.286
   24    H    ARG   4           H        ARG   4   5.578  -2.852   1.448
   25    HA   ARG   4           HA       ARG   4   7.704  -4.112   2.715
   26    HB2  ARG   4           2HB      ARG   4   6.110  -5.232   4.035
   27    HB3  ARG   4           3HB      ARG   4   5.329  -3.725   3.575
   28    HG2  ARG   4           2HG      ARG   4   4.291  -5.073   1.658
   29    HG3  ARG   4           3HG      ARG   4   4.797  -6.495   2.572
   30    HD2  ARG   4           2HD      ARG   4   3.602  -5.306   4.555
   31    HD3  ARG   4           3HD      ARG   4   2.791  -4.395   3.283
   32    HE   ARG   4           HE       ARG   4   1.522  -6.239   2.852
   33   HH11  ARG   4          1HH1      ARG   4   4.385  -7.236   4.561
   34   HH12  ARG   4          2HH1      ARG   4   3.876  -8.885   4.716
   35   HH21  ARG   4          2HH2      ARG   4   1.860  -9.550   3.855
   36   HH22  ARG   4          1HH2      ARG   4   0.841  -8.406   3.050
   37    H    GLY   5           H        GLY   5   5.956  -5.032  -0.117
   38    HA2  GLY   5           2HA      GLY   5   7.123  -7.733  -0.031
   39    HA3  GLY   5           3HA      GLY   5   5.782  -7.237  -1.053
   40    H    TRP   6           H        TRP   6   7.995  -4.795  -1.131
   41    HA   TRP   6           HA       TRP   6   9.289  -5.911  -3.533
   42    HB2  TRP   6           2HB      TRP   6   7.757  -4.185  -4.205
   43    HB3  TRP   6           3HB      TRP   6   8.367  -3.088  -2.970
   44    HD1  TRP   6           HD1      TRP   6   9.272  -1.186  -4.499
   45    HE1  TRP   6           HE1      TRP   6  11.130  -1.040  -6.274
   46    HE3  TRP   6           HE3      TRP   6  10.289  -6.169  -5.023
   47    HZ2  TRP   6           HZ2      TRP   6  12.806  -2.803  -7.706
   48    HZ3  TRP   6           HZ3      TRP   6  12.033  -6.855  -6.617
   49    HH2  TRP   6           HH2      TRP   6  13.263  -5.206  -7.930
   50    H    LYS   7           H        LYS   7   9.886  -2.909  -1.748
   51    HA   LYS   7           HA       LYS   7  12.633  -3.853  -1.247
   52    HB2  LYS   7           2HB      LYS   7  11.614  -1.100  -1.942
   53    HB3  LYS   7           3HB      LYS   7  13.217  -1.376  -1.273
   54    HG2  LYS   7           2HG      LYS   7  12.136  -2.406  -3.886
   55    HG3  LYS   7           3HG      LYS   7  13.390  -1.186  -3.651
   56    HD2  LYS   7           2HD      LYS   7  14.726  -2.969  -2.459
   57    HD3  LYS   7           3HD      LYS   7  13.533  -4.132  -3.042
   58    HE2  LYS   7           2HE      LYS   7  14.376  -4.119  -5.117
   59    HE3  LYS   7           3HE      LYS   7  14.549  -2.364  -5.130
   60    HZ1  LYS   7           3HZ      LYS   7  16.426  -4.284  -3.859
   61    HZ2  LYS   7           1HZ      LYS   7  16.589  -2.600  -3.846
   62    HZ3  LYS   7           2HZ      LYS   7  16.692  -3.448  -5.306
   63    H    ARG   8           H        ARG   8  11.321  -0.846  -0.057
   64    HA   ARG   8           HA       ARG   8  11.309  -1.968   2.667
   65    HB2  ARG   8           2HB      ARG   8  12.215   0.771   1.765
   66    HB3  ARG   8           3HB      ARG   8  12.039   0.285   3.446
   67    HG2  ARG   8           2HG      ARG   8  13.827  -1.221   3.318
   68    HG3  ARG   8           3HG      ARG   8  13.821  -1.207   1.553
   69    HD2  ARG   8           2HD      ARG   8  15.392   0.363   1.627
   70    HD3  ARG   8           3HD      ARG   8  14.194   1.455   2.322
   71    HE   ARG   8           HE       ARG   8  15.321  -0.173   4.338
   72   HH11  ARG   8          1HH1      ARG   8  16.062   2.534   2.278
   73   HH12  ARG   8          2HH1      ARG   8  17.207   3.225   3.380
   74   HH21  ARG   8          2HH2      ARG   8  17.642   2.196   5.380
   75   HH22  ARG   8          1HH2      ARG   8  16.827   0.727   5.796
   76    H    LYS   9           H        LYS   9  10.584   1.280   2.661
   77    HA   LYS   9           HA       LYS   9   7.687   0.753   2.545
   78    HB2  LYS   9           2HB      LYS   9   9.186   2.531   4.476
   79    HB3  LYS   9           3HB      LYS   9   7.434   2.462   4.343
   80    HG2  LYS   9           2HG      LYS   9   7.382   0.765   5.755
   81    HG3  LYS   9           3HG      LYS   9   8.399  -0.188   4.671
   82    HD2  LYS   9           2HD      LYS   9  10.395   0.690   5.691
   83    HD3  LYS   9           3HD      LYS   9   9.448   1.806   6.677
   84    HE2  LYS   9           2HE      LYS   9   8.882   0.209   8.166
   85    HE3  LYS   9           3HE      LYS   9   8.715  -1.033   6.927
   86    HZ1  LYS   9           3HZ      LYS   9  11.408  -0.410   7.052
   87    HZ2  LYS   9           1HZ      LYS   9  10.657  -1.827   7.589
   88    HZ3  LYS   9           2HZ      LYS   9  10.892  -0.538   8.659
   89    H    CYS  10           H        CYS  10  10.215   3.227   2.268
   90    HA   CYS  10           HA       CYS  10   8.387   4.930   0.749
   91    HB2  CYS  10           2HB      CYS  10  10.710   5.382   2.436
   92    HB3  CYS  10           3HB      CYS  10  10.859   6.211   0.891
   93    HG   CYS  10           HG       CYS  10   8.569   7.718   1.156
   94    HA   PRO  11           HA       PRO  11  12.003   4.488  -2.392
   95    HB2  PRO  11           2HB      PRO  11  14.096   2.898  -1.717
   96    HB3  PRO  11           3HB      PRO  11  14.028   4.617  -1.313
   97    HG2  PRO  11           2HG      PRO  11  13.412   2.243   0.403
   98    HG3  PRO  11           3HG      PRO  11  14.314   3.714   0.810
   99    HD2  PRO  11           2HD      PRO  11  11.731   3.342   1.533
  100    HD3  PRO  11           3HD      PRO  11  12.397   4.945   1.158
  101    H    LEU  12           H        LEU  12  10.064   3.201  -3.058
  102    HA   LEU  12           HA       LEU  12  10.352   0.316  -2.974
  103    HB2  LEU  12           2HB      LEU  12   8.265   2.208  -3.978
  104    HB3  LEU  12           3HB      LEU  12   8.247   0.521  -4.486
  105    HG   LEU  12           HG       LEU  12   8.244  -0.021  -1.970
  106   HD11  LEU  12          1HD1      LEU  12   8.711   1.953  -0.878
  107   HD12  LEU  12          2HD1      LEU  12   6.952   1.890  -0.769
  108   HD13  LEU  12          3HD1      LEU  12   7.724   2.920  -1.974
  109   HD21  LEU  12          3HD2      LEU  12   6.071   0.876  -3.736
  110   HD22  LEU  12          1HD2      LEU  12   5.673   0.824  -2.019
  111   HD23  LEU  12          2HD2      LEU  12   6.257  -0.628  -2.832
  112    H    PHE  13           H        PHE  13   9.013   1.648  -5.842
  113    HA   PHE  13           HA       PHE  13  11.163   0.433  -7.401
  114    HB2  PHE  13           2HB      PHE  13   8.401   1.392  -8.170
  115    HB3  PHE  13           3HB      PHE  13   9.572   0.755  -9.322
  116    HD1  PHE  13           HD1      PHE  13   7.272  -0.052  -6.611
  117    HD2  PHE  13           HD2      PHE  13  10.150  -1.600  -9.339
  118    HE1  PHE  13           HE1      PHE  13   6.489  -2.336  -6.135
  119    HE2  PHE  13           HE2      PHE  13   9.371  -3.886  -8.867
  120    HZ   PHE  13           HZ       PHE  13   7.538  -4.257  -7.265
  121    H    GLY  14           H        GLY  14   9.287   2.856  -8.941
  122    HA2  GLY  14           2HA      GLY  14  11.592   4.704  -8.838
  123    HA3  GLY  14           3HA      GLY  14  10.698   4.388 -10.318
  124    H    LYS  15           H        LYS  15   8.559   4.395  -7.777
  125    HA   LYS  15           HA       LYS  15   7.823   7.190  -8.334
  126    HB2  LYS  15           2HB      LYS  15   5.545   6.473  -7.511
  127    HB3  LYS  15           3HB      LYS  15   6.069   5.739  -9.021
  128    HG2  LYS  15           2HG      LYS  15   6.624   4.286  -6.492
  129    HG3  LYS  15           3HG      LYS  15   4.967   4.318  -7.097
  130    HD2  LYS  15           2HD      LYS  15   7.093   3.684  -9.058
  131    HD3  LYS  15           3HD      LYS  15   6.756   2.463  -7.828
  132    HE2  LYS  15           2HE      LYS  15   4.300   2.759  -8.466
  133    HE3  LYS  15           3HE      LYS  15   4.894   3.617  -9.886
  134    HZ1  LYS  15           3HZ      LYS  15   6.185   1.084  -9.434
  135    HZ2  LYS  15           1HZ      LYS  15   5.521   1.723 -10.853
  136    HZ3  LYS  15           2HZ      LYS  15   4.524   0.950  -9.727
  137    H    GLY  16           H        GLY  16   5.942   6.200  -5.864
  138    HA2  GLY  16           2HA      GLY  16   7.818   7.248  -3.834
  139    HA3  GLY  16           3HA      GLY  16   6.112   7.668  -3.868
  140    H    GLY  17           H        GLY  17   5.052   5.107  -4.403
  141    HA2  GLY  17           2HA      GLY  17   4.247   3.323  -3.200
  142    HA3  GLY  17           3HA      GLY  17   5.940   3.007  -2.852
  Start of MODEL   17
    1    H21  PTL   1           H1       MET   1   2.005   0.194   0.581
    2    H22  PTL   1           HA       MET   1   1.753   0.497  -1.127
    3    H31  PTL   1           2HB      MET   1   4.462   0.844   0.146
    4    H32  PTL   1           3HB      MET   1   3.921   1.425  -1.423
    5    H41  PTL   1           2HG      MET   1   3.645   3.373  -0.378
    6    H42  PTL   1           3HG      MET   1   2.159   2.652   0.235
    7    H51  PTL   1           H3       MET   1   3.331   1.929   2.249
    8    H52  PTL   1           H2       MET   1   3.439   3.691   2.025
    9    H53  PTL   1           H4       MET   1   4.833   2.657   1.629
   10    H    VAL   2           H        VAL   2   3.768  -0.456  -2.477
   11    HA   VAL   2           HA       VAL   2   3.626  -3.317  -2.015
   12    HB   VAL   2           HB       VAL   2   4.851  -1.740  -4.283
   13   HG11  VAL   2          1HG1      VAL   2   4.928  -4.599  -3.593
   14   HG12  VAL   2          2HG1      VAL   2   4.492  -4.234  -5.263
   15   HG13  VAL   2          3HG1      VAL   2   6.016  -3.642  -4.599
   16   HG21  VAL   2          3HG2      VAL   2   2.290  -1.814  -3.894
   17   HG22  VAL   2          1HG2      VAL   2   2.923  -2.149  -5.505
   18   HG23  VAL   2          2HG2      VAL   2   2.420  -3.478  -4.462
   19    H    ALA   3           H        ALA   3   5.843  -0.740  -1.525
   20    HA   ALA   3           HA       ALA   3   8.317  -1.954  -1.711
   21    HB1  ALA   3           3HB      ALA   3   8.596   0.240  -1.241
   22    HB2  ALA   3           1HB      ALA   3   7.208   0.298  -0.154
   23    HB3  ALA   3           2HB      ALA   3   8.740  -0.368   0.408
   24    H    ARG   4           H        ARG   4   5.901  -2.219   0.827
   25    HA   ARG   4           HA       ARG   4   7.347  -3.329   2.884
   26    HB2  ARG   4           2HB      ARG   4   4.980  -2.780   3.085
   27    HB3  ARG   4           3HB      ARG   4   4.565  -4.070   1.965
   28    HG2  ARG   4           2HG      ARG   4   4.156  -4.632   4.341
   29    HG3  ARG   4           3HG      ARG   4   5.265  -5.740   3.531
   30    HD2  ARG   4           2HD      ARG   4   6.926  -5.244   4.934
   31    HD3  ARG   4           3HD      ARG   4   6.658  -3.511   4.749
   32    HE   ARG   4           HE       ARG   4   5.776  -5.162   6.902
   33   HH11  ARG   4          1HH1      ARG   4   4.991  -2.334   5.030
   34   HH12  ARG   4          2HH1      ARG   4   4.065  -1.595   6.293
   35   HH21  ARG   4          2HH2      ARG   4   3.820  -2.655   8.309
   36   HH22  ARG   4          1HH2      ARG   4   4.559  -4.200   8.574
   37    H    GLY   5           H        GLY   5   6.309  -4.821  -0.113
   38    HA2  GLY   5           2HA      GLY   5   7.707  -7.291   0.717
   39    HA3  GLY   5           3HA      GLY   5   6.277  -7.300  -0.304
   40    H    TRP   6           H        TRP   6   8.393  -4.722  -0.939
   41    HA   TRP   6           HA       TRP   6   9.545  -6.194  -3.218
   42    HB2  TRP   6           2HB      TRP   6   7.978  -4.680  -4.149
   43    HB3  TRP   6           3HB      TRP   6   8.469  -3.383  -3.064
   44    HD1  TRP   6           HD1      TRP   6   9.134  -1.660  -4.930
   45    HE1  TRP   6           HE1      TRP   6  11.041  -1.565  -6.655
   46    HE3  TRP   6           HE3      TRP   6  10.821  -6.470  -4.539
   47    HZ2  TRP   6           HZ2      TRP   6  13.001  -3.300  -7.711
   48    HZ3  TRP   6           HZ3      TRP   6  12.716  -7.172  -5.942
   49    HH2  TRP   6           HH2      TRP   6  13.782  -5.620  -7.495
   50    H    LYS   7           H        LYS   7  10.133  -2.937  -1.938
   51    HA   LYS   7           HA       LYS   7  12.995  -3.526  -1.893
   52    HB2  LYS   7           2HB      LYS   7  11.348  -1.042  -2.007
   53    HB3  LYS   7           3HB      LYS   7  12.951  -0.938  -1.291
   54    HG2  LYS   7           2HG      LYS   7  12.250  -1.794  -4.087
   55    HG3  LYS   7           3HG      LYS   7  13.132  -0.349  -3.588
   56    HD2  LYS   7           2HD      LYS   7  14.819  -1.994  -2.551
   57    HD3  LYS   7           3HD      LYS   7  14.032  -3.212  -3.558
   58    HE2  LYS   7           2HE      LYS   7  14.422  -1.287  -5.389
   59    HE3  LYS   7           3HE      LYS   7  15.780  -0.952  -4.315
   60    HZ1  LYS   7           3HZ      LYS   7  15.787  -3.673  -4.638
   61    HZ2  LYS   7           1HZ      LYS   7  16.838  -2.570  -5.375
   62    HZ3  LYS   7           2HZ      LYS   7  15.441  -3.076  -6.182
   63    H    ARG   8           H        ARG   8  11.526  -1.126   0.173
   64    HA   ARG   8           HA       ARG   8  12.299  -2.722   2.526
   65    HB2  ARG   8           2HB      ARG   8  12.527  -0.188   3.449
   66    HB3  ARG   8           3HB      ARG   8  13.869  -1.117   2.794
   67    HG2  ARG   8           2HG      ARG   8  13.446  -0.091   0.582
   68    HG3  ARG   8           3HG      ARG   8  12.196   0.908   1.325
   69    HD2  ARG   8           2HD      ARG   8  15.021   0.864   2.346
   70    HD3  ARG   8           3HD      ARG   8  14.515   1.938   1.042
   71    HE   ARG   8           HE       ARG   8  13.263   3.171   2.563
   72   HH11  ARG   8          1HH1      ARG   8  14.662   0.363   4.073
   73   HH12  ARG   8          2HH1      ARG   8  14.343   0.910   5.686
   74   HH21  ARG   8          2HH2      ARG   8  13.305   2.923   6.031
   75   HH22  ARG   8          1HH2      ARG   8  12.838   3.902   4.682
   76    H    LYS   9           H        LYS   9  10.910   0.466   2.702
   77    HA   LYS   9           HA       LYS   9   8.309  -0.686   3.447
   78    HB2  LYS   9           2HB      LYS   9   9.695   1.545   4.943
   79    HB3  LYS   9           3HB      LYS   9   8.141   0.825   5.340
   80    HG2  LYS   9           2HG      LYS   9  10.792  -0.604   5.398
   81    HG3  LYS   9           3HG      LYS   9   9.932   0.030   6.804
   82    HD2  LYS   9           2HD      LYS   9   8.165  -1.518   6.542
   83    HD3  LYS   9           3HD      LYS   9   8.699  -1.965   4.919
   84    HE2  LYS   9           2HE      LYS   9  10.507  -2.395   7.260
   85    HE3  LYS   9           3HE      LYS   9   9.202  -3.536   6.937
   86    HZ1  LYS   9           3HZ      LYS   9  11.702  -3.223   5.597
   87    HZ2  LYS   9           1HZ      LYS   9  10.405  -3.167   4.513
   88    HZ3  LYS   9           2HZ      LYS   9  10.599  -4.503   5.530
   89    H    CYS  10           H        CYS  10   9.690   2.595   3.328
   90    HA   CYS  10           HA       CYS  10   7.345   3.682   2.139
   91    HB2  CYS  10           2HB      CYS  10   9.915   4.675   3.116
   92    HB3  CYS  10           3HB      CYS  10   9.343   5.542   1.696
   93    HG   CYS  10           HG       CYS  10   7.358   5.085   4.437
   94    HA   PRO  11           HA       PRO  11   9.919   4.143  -1.886
   95    HB2  PRO  11           2HB      PRO  11  12.479   3.239  -1.893
   96    HB3  PRO  11           3HB      PRO  11  12.041   4.877  -1.398
   97    HG2  PRO  11           2HG      PRO  11  12.623   2.478   0.295
   98    HG3  PRO  11           3HG      PRO  11  13.149   4.157   0.516
   99    HD2  PRO  11           2HD      PRO  11  11.083   3.082   1.898
  100    HD3  PRO  11           3HD      PRO  11  11.136   4.797   1.440
  101    H    LEU  12           H        LEU  12   9.428   2.737  -3.452
  102    HA   LEU  12           HA       LEU  12   9.884  -0.131  -2.949
  103    HB2  LEU  12           2HB      LEU  12   7.887  -0.243  -4.695
  104    HB3  LEU  12           3HB      LEU  12   7.623  -0.141  -2.954
  105    HG   LEU  12           HG       LEU  12   7.716   2.377  -4.550
  106   HD11  LEU  12          1HD1      LEU  12   5.080   1.899  -4.547
  107   HD12  LEU  12          2HD1      LEU  12   5.676   0.255  -4.771
  108   HD13  LEU  12          3HD1      LEU  12   6.131   1.520  -5.912
  109   HD21  LEU  12          3HD2      LEU  12   7.226   3.149  -2.524
  110   HD22  LEU  12          1HD2      LEU  12   6.971   1.521  -1.897
  111   HD23  LEU  12          2HD2      LEU  12   5.647   2.377  -2.686
  112    H    PHE  13           H        PHE  13   8.635   1.274  -5.903
  113    HA   PHE  13           HA       PHE  13  10.979   0.237  -7.323
  114    HB2  PHE  13           2HB      PHE  13   8.315   1.127  -8.446
  115    HB3  PHE  13           3HB      PHE  13   9.601   0.312  -9.330
  116    HD1  PHE  13           HD1      PHE  13   7.083  -0.093  -6.664
  117    HD2  PHE  13           HD2      PHE  13   9.825  -2.037  -9.275
  118    HE1  PHE  13           HE1      PHE  13   6.098  -2.269  -6.073
  119    HE2  PHE  13           HE2      PHE  13   8.845  -4.215  -8.688
  120    HZ   PHE  13           HZ       PHE  13   6.979  -4.334  -7.086
  121    H    GLY  14           H        GLY  14   9.351   2.353  -9.283
  122    HA2  GLY  14           2HA      GLY  14  11.192   4.565  -8.610
  123    HA3  GLY  14           3HA      GLY  14  10.905   4.055 -10.267
  124    H    LYS  15           H        LYS  15   8.492   4.372  -7.712
  125    HA   LYS  15           HA       LYS  15   7.275   6.576  -9.245
  126    HB2  LYS  15           2HB      LYS  15   5.107   5.620  -8.091
  127    HB3  LYS  15           3HB      LYS  15   5.716   4.920  -9.585
  128    HG2  LYS  15           2HG      LYS  15   6.818   3.726  -7.147
  129    HG3  LYS  15           3HG      LYS  15   5.078   3.515  -7.353
  130    HD2  LYS  15           2HD      LYS  15   7.146   2.853  -9.448
  131    HD3  LYS  15           3HD      LYS  15   6.428   1.679  -8.344
  132    HE2  LYS  15           2HE      LYS  15   4.198   2.806  -9.340
  133    HE3  LYS  15           3HE      LYS  15   5.280   3.013 -10.716
  134    HZ1  LYS  15           3HZ      LYS  15   4.084   0.929 -10.860
  135    HZ2  LYS  15           1HZ      LYS  15   4.680   0.444  -9.352
  136    HZ3  LYS  15           2HZ      LYS  15   5.738   0.635 -10.658
  137    H    GLY  16           H        GLY  16   5.795   5.487  -6.334
  138    HA2  GLY  16           2HA      GLY  16   6.906   7.825  -4.907
  139    HA3  GLY  16           3HA      GLY  16   5.206   7.387  -4.823
  140    H    GLY  17           H        GLY  17   4.600   6.259  -3.101
  141    HA2  GLY  17           2HA      GLY  17   5.123   4.095  -1.891
  142    HA3  GLY  17           3HA      GLY  17   6.697   4.819  -1.600
  Start of MODEL   18
    1    H21  PTL   1           H1       MET   1   1.735  -0.984   1.520
    2    H22  PTL   1           HA       MET   1   1.115  -0.781  -0.107
    3    H31  PTL   1           2HB      MET   1   3.457   0.609   1.159
    4    H32  PTL   1           3HB      MET   1   3.321   0.494  -0.591
    5    H41  PTL   1           2HG      MET   1   2.228   2.433  -0.392
    6    H42  PTL   1           3HG      MET   1   0.861   1.405   0.032
    7    H51  PTL   1           H3       MET   1   1.379   1.684   2.400
    8    H52  PTL   1           H2       MET   1   1.100   3.249   1.601
    9    H53  PTL   1           H4       MET   1   2.758   2.721   1.970
   10    H    VAL   2           H        VAL   2   2.843  -1.214  -1.883
   11    HA   VAL   2           HA       VAL   2   3.665  -3.938  -1.578
   12    HB   VAL   2           HB       VAL   2   3.983  -1.947  -3.815
   13   HG11  VAL   2          1HG1      VAL   2   4.643  -4.165  -5.071
   14   HG12  VAL   2          2HG1      VAL   2   5.859  -3.188  -4.246
   15   HG13  VAL   2          3HG1      VAL   2   5.214  -4.635  -3.470
   16   HG21  VAL   2          3HG2      VAL   2   2.148  -4.190  -3.173
   17   HG22  VAL   2          1HG2      VAL   2   1.818  -2.639  -3.947
   18   HG23  VAL   2          2HG2      VAL   2   2.576  -3.939  -4.866
   19    H    ALA   3           H        ALA   3   5.186  -0.865  -1.196
   20    HA   ALA   3           HA       ALA   3   7.853  -1.430  -1.689
   21    HB1  ALA   3           3HB      ALA   3   8.125   0.247   0.365
   22    HB2  ALA   3           1HB      ALA   3   7.600   0.776  -1.233
   23    HB3  ALA   3           2HB      ALA   3   6.410   0.493   0.039
   24    H    ARG   4           H        ARG   4   5.956  -2.017   1.248
   25    HA   ARG   4           HA       ARG   4   8.079  -2.953   2.843
   26    HB2  ARG   4           2HB      ARG   4   5.130  -3.611   2.979
   27    HB3  ARG   4           3HB      ARG   4   6.304  -3.967   4.240
   28    HG2  ARG   4           2HG      ARG   4   5.766  -2.002   5.119
   29    HG3  ARG   4           3HG      ARG   4   6.648  -1.268   3.778
   30    HD2  ARG   4           2HD      ARG   4   4.727  -0.266   3.248
   31    HD3  ARG   4           3HD      ARG   4   4.191  -1.846   2.676
   32    HE   ARG   4           HE       ARG   4   2.765  -1.961   4.458
   33   HH11  ARG   4          1HH1      ARG   4   5.151   0.497   5.076
   34   HH12  ARG   4          2HH1      ARG   4   4.380   1.067   6.519
   35   HH21  ARG   4          2HH2      ARG   4   2.440   0.088   7.247
   36   HH22  ARG   4          1HH2      ARG   4   1.740  -1.221   6.356
   37    H    GLY   5           H        GLY   5   6.506  -4.349   0.172
   38    HA2  GLY   5           2HA      GLY   5   7.621  -6.994   0.879
   39    HA3  GLY   5           3HA      GLY   5   6.133  -6.798  -0.035
   40    H    TRP   6           H        TRP   6   8.441  -4.477  -0.853
   41    HA   TRP   6           HA       TRP   6   9.292  -6.078  -3.179
   42    HB2  TRP   6           2HB      TRP   6   7.784  -4.436  -4.007
   43    HB3  TRP   6           3HB      TRP   6   8.502  -3.171  -3.014
   44    HD1  TRP   6           HD1      TRP   6   9.139  -1.583  -5.014
   45    HE1  TRP   6           HE1      TRP   6  10.891  -1.729  -6.894
   46    HE3  TRP   6           HE3      TRP   6  10.420  -6.511  -4.551
   47    HZ2  TRP   6           HZ2      TRP   6  12.590  -3.675  -8.030
   48    HZ3  TRP   6           HZ3      TRP   6  12.116  -7.437  -6.073
   49    HH2  TRP   6           HH2      TRP   6  13.177  -6.047  -7.777
   50    H    LYS   7           H        LYS   7  10.266  -2.847  -2.108
   51    HA   LYS   7           HA       LYS   7  13.048  -3.777  -2.074
   52    HB2  LYS   7           2HB      LYS   7  11.776  -1.081  -2.451
   53    HB3  LYS   7           3HB      LYS   7  13.472  -1.220  -2.006
   54    HG2  LYS   7           2HG      LYS   7  12.156  -2.308  -4.485
   55    HG3  LYS   7           3HG      LYS   7  13.298  -0.966  -4.382
   56    HD2  LYS   7           2HD      LYS   7  14.937  -2.645  -3.396
   57    HD3  LYS   7           3HD      LYS   7  13.811  -3.895  -3.929
   58    HE2  LYS   7           2HE      LYS   7  14.356  -3.634  -6.100
   59    HE3  LYS   7           3HE      LYS   7  14.502  -1.884  -5.959
   60    HZ1  LYS   7           3HZ      LYS   7  16.595  -2.939  -4.505
   61    HZ2  LYS   7           1HZ      LYS   7  16.684  -2.167  -6.008
   62    HZ3  LYS   7           2HZ      LYS   7  16.540  -3.850  -5.930
   63    H    ARG   8           H        ARG   8  11.780  -0.951  -0.410
   64    HA   ARG   8           HA       ARG   8  12.867  -2.025   2.098
   65    HB2  ARG   8           2HB      ARG   8  12.222   0.812   1.276
   66    HB3  ARG   8           3HB      ARG   8  12.809   0.345   2.867
   67    HG2  ARG   8           2HG      ARG   8  14.908  -0.301   2.013
   68    HG3  ARG   8           3HG      ARG   8  14.328  -0.252   0.347
   69    HD2  ARG   8           2HD      ARG   8  14.630   1.968   0.179
   70    HD3  ARG   8           3HD      ARG   8  14.032   2.269   1.810
   71    HE   ARG   8           HE       ARG   8  16.494   1.112   2.150
   72   HH11  ARG   8          1HH1      ARG   8  15.262   3.929   0.517
   73   HH12  ARG   8          2HH1      ARG   8  16.718   4.845   0.723
   74   HH21  ARG   8          2HH2      ARG   8  18.511   3.922   1.809
   75   HH22  ARG   8          1HH2      ARG   8  18.416   2.308   2.428
   76    H    LYS   9           H        LYS   9  10.901   0.604   2.659
   77    HA   LYS   9           HA       LYS   9   8.588  -1.098   3.319
   78    HB2  LYS   9           2HB      LYS   9   9.669   1.171   5.000
   79    HB3  LYS   9           3HB      LYS   9   8.271   0.173   5.378
   80    HG2  LYS   9           2HG      LYS   9   9.726  -0.993   6.613
   81    HG3  LYS   9           3HG      LYS   9  10.187  -1.719   5.072
   82    HD2  LYS   9           2HD      LYS   9  11.736   0.478   5.025
   83    HD3  LYS   9           3HD      LYS   9  11.630   0.225   6.769
   84    HE2  LYS   9           2HE      LYS   9  12.091  -2.286   5.494
   85    HE3  LYS   9           3HE      LYS   9  13.267  -1.118   4.892
   86    HZ1  LYS   9           3HZ      LYS   9  14.051  -2.275   6.876
   87    HZ2  LYS   9           1HZ      LYS   9  12.735  -1.682   7.759
   88    HZ3  LYS   9           2HZ      LYS   9  13.898  -0.613   7.154
   89    H    CYS  10           H        CYS  10   9.675   2.255   2.841
   90    HA   CYS  10           HA       CYS  10   6.961   3.054   2.137
   91    HB2  CYS  10           2HB      CYS  10   9.055   5.073   1.832
   92    HB3  CYS  10           3HB      CYS  10   7.562   5.132   2.763
   93    HG   CYS  10           HG       CYS  10   9.016   5.363   4.892
   94    HA   PRO  11           HA       PRO  11   9.330   4.131  -1.933
   95    HB2  PRO  11           2HB      PRO  11  11.880   3.229  -2.164
   96    HB3  PRO  11           3HB      PRO  11  11.478   4.805  -1.472
   97    HG2  PRO  11           2HG      PRO  11  12.125   2.234  -0.082
   98    HG3  PRO  11           3HG      PRO  11  12.672   3.877   0.295
   99    HD2  PRO  11           2HD      PRO  11  10.668   2.663   1.651
  100    HD3  PRO  11           3HD      PRO  11  10.711   4.417   1.380
  101    H    LEU  12           H        LEU  12   9.121   2.929  -3.773
  102    HA   LEU  12           HA       LEU  12   9.150   0.002  -3.439
  103    HB2  LEU  12           2HB      LEU  12   7.488   1.759  -5.232
  104    HB3  LEU  12           3HB      LEU  12   7.549   0.003  -5.371
  105    HG   LEU  12           HG       LEU  12   6.772   0.016  -2.903
  106   HD11  LEU  12          1HD1      LEU  12   7.086   2.357  -2.439
  107   HD12  LEU  12          2HD1      LEU  12   5.366   1.974  -2.355
  108   HD13  LEU  12          3HD1      LEU  12   6.016   2.802  -3.769
  109   HD21  LEU  12          3HD2      LEU  12   4.443   0.087  -3.611
  110   HD22  LEU  12          1HD2      LEU  12   5.431  -0.767  -4.795
  111   HD23  LEU  12          2HD2      LEU  12   4.910   0.888  -5.111
  112    H    PHE  13           H        PHE  13   8.638   1.016  -6.605
  113    HA   PHE  13           HA       PHE  13  11.262   0.049  -7.391
  114    HB2  PHE  13           2HB      PHE  13   8.840   0.827  -9.027
  115    HB3  PHE  13           3HB      PHE  13  10.332   0.181  -9.700
  116    HD1  PHE  13           HD1      PHE  13   7.561  -0.609  -7.367
  117    HD2  PHE  13           HD2      PHE  13  10.676  -2.119  -9.844
  118    HE1  PHE  13           HE1      PHE  13   6.718  -2.896  -7.028
  119    HE2  PHE  13           HE2      PHE  13   9.838  -4.407  -9.510
  120    HZ   PHE  13           HZ       PHE  13   7.856  -4.798  -8.101
  121    H    GLY  14           H        GLY  14   9.506   2.526  -9.153
  122    HA2  GLY  14           2HA      GLY  14  11.759   4.379  -8.668
  123    HA3  GLY  14           3HA      GLY  14  11.070   4.144 -10.269
  124    H    LYS  15           H        LYS  15   8.669   3.988  -7.941
  125    HA   LYS  15           HA       LYS  15   7.780   6.686  -8.635
  126    HB2  LYS  15           2HB      LYS  15   6.196   4.593  -7.152
  127    HB3  LYS  15           3HB      LYS  15   5.588   5.998  -8.017
  128    HG2  LYS  15           2HG      LYS  15   5.121   4.411  -9.560
  129    HG3  LYS  15           3HG      LYS  15   6.775   4.781 -10.055
  130    HD2  LYS  15           2HD      LYS  15   7.583   2.793  -9.316
  131    HD3  LYS  15           3HD      LYS  15   6.450   2.712  -7.965
  132    HE2  LYS  15           2HE      LYS  15   4.933   1.558  -9.155
  133    HE3  LYS  15           3HE      LYS  15   5.197   2.522 -10.607
  134    HZ1  LYS  15           3HZ      LYS  15   7.178   1.240 -11.072
  135    HZ2  LYS  15           1HZ      LYS  15   5.847   0.206 -10.916
  136    HZ3  LYS  15           2HZ      LYS  15   6.970   0.336  -9.658
  137    H    GLY  16           H        GLY  16   6.039   6.006  -6.023
  138    HA2  GLY  16           2HA      GLY  16   7.971   7.266  -4.174
  139    HA3  GLY  16           3HA      GLY  16   6.279   7.740  -4.245
  140    H    GLY  17           H        GLY  17   4.674   6.279  -3.469
  141    HA2  GLY  17           2HA      GLY  17   4.250   4.033  -2.507
  142    HA3  GLY  17           3HA      GLY  17   5.773   4.224  -1.651
  Start of MODEL   19
    1    H21  PTL   1           H1       MET   1   1.622  -0.393   0.493
    2    H22  PTL   1           HA       MET   1   1.466  -0.277  -1.249
    3    H31  PTL   1           2HB      MET   1   3.856   0.582  -1.320
    4    H32  PTL   1           3HB      MET   1   2.660   1.666  -0.624
    5    H41  PTL   1           2HG      MET   1   4.045  -0.112   1.270
    6    H42  PTL   1           3HG      MET   1   5.032   1.129   0.504
    7    H51  PTL   1           H3       MET   1   3.472   2.847   1.259
    8    H52  PTL   1           H2       MET   1   4.124   1.908   2.622
    9    H53  PTL   1           H4       MET   1   2.475   1.593   2.032
   10    H    VAL   2           H        VAL   2   3.265  -1.308  -2.549
   11    HA   VAL   2           HA       VAL   2   3.583  -4.027  -1.641
   12    HB   VAL   2           HB       VAL   2   3.332  -2.866  -4.129
   13   HG11  VAL   2          1HG1      VAL   2   6.120  -3.991  -3.970
   14   HG12  VAL   2          2HG1      VAL   2   5.328  -3.259  -5.368
   15   HG13  VAL   2          3HG1      VAL   2   5.762  -2.265  -3.977
   16   HG21  VAL   2          3HG2      VAL   2   3.034  -5.006  -4.814
   17   HG22  VAL   2          1HG2      VAL   2   4.511  -5.576  -4.036
   18   HG23  VAL   2          2HG2      VAL   2   3.053  -5.314  -3.078
   19    H    ALA   3           H        ALA   3   5.360  -1.204  -1.308
   20    HA   ALA   3           HA       ALA   3   8.001  -1.896  -1.654
   21    HB1  ALA   3           3HB      ALA   3   7.685   0.315  -1.082
   22    HB2  ALA   3           1HB      ALA   3   6.616  -0.075   0.265
   23    HB3  ALA   3           2HB      ALA   3   8.353  -0.346   0.410
   24    H    ARG   4           H        ARG   4   5.923  -2.559   1.142
   25    HA   ARG   4           HA       ARG   4   7.789  -3.624   2.881
   26    HB2  ARG   4           2HB      ARG   4   5.578  -3.266   3.671
   27    HB3  ARG   4           3HB      ARG   4   4.889  -4.306   2.432
   28    HG2  ARG   4           2HG      ARG   4   6.811  -5.543   4.309
   29    HG3  ARG   4           3HG      ARG   4   5.228  -5.093   4.946
   30    HD2  ARG   4           2HD      ARG   4   4.830  -6.356   2.439
   31    HD3  ARG   4           3HD      ARG   4   5.943  -7.354   3.372
   32    HE   ARG   4           HE       ARG   4   3.159  -7.010   3.843
   33   HH11  ARG   4          1HH1      ARG   4   6.211  -7.517   5.439
   34   HH12  ARG   4          2HH1      ARG   4   5.509  -8.294   6.819
   35   HH21  ARG   4          2HH2      ARG   4   3.240  -8.589   6.940
   36   HH22  ARG   4          1HH2      ARG   4   2.223  -8.033   5.654
   37    H    GLY   5           H        GLY   5   6.497  -4.968  -0.040
   38    HA2  GLY   5           2HA      GLY   5   7.850  -7.526   0.552
   39    HA3  GLY   5           3HA      GLY   5   6.477  -7.365  -0.533
   40    H    TRP   6           H        TRP   6   8.272  -4.720  -1.133
   41    HA   TRP   6           HA       TRP   6   9.628  -6.036  -3.381
   42    HB2  TRP   6           2HB      TRP   6   8.088  -4.359  -4.124
   43    HB3  TRP   6           3HB      TRP   6   8.715  -3.186  -2.969
   44    HD1  TRP   6           HD1      TRP   6   9.658  -1.359  -4.537
   45    HE1  TRP   6           HE1      TRP   6  11.438  -1.304  -6.393
   46    HE3  TRP   6           HE3      TRP   6  10.492  -6.381  -5.008
   47    HZ2  TRP   6           HZ2      TRP   6  12.991  -3.146  -7.865
   48    HZ3  TRP   6           HZ3      TRP   6  12.141  -7.152  -6.664
   49    HH2  TRP   6           HH2      TRP   6  13.363  -5.566  -8.062
   50    H    LYS   7           H        LYS   7  10.290  -2.943  -1.775
   51    HA   LYS   7           HA       LYS   7  13.089  -3.806  -1.466
   52    HB2  LYS   7           2HB      LYS   7  11.879  -1.373  -2.491
   53    HB3  LYS   7           3HB      LYS   7  13.016  -1.030  -1.194
   54    HG2  LYS   7           2HG      LYS   7  13.923  -1.034  -3.564
   55    HG3  LYS   7           3HG      LYS   7  14.812  -1.975  -2.362
   56    HD2  LYS   7           2HD      LYS   7  14.051  -4.007  -3.214
   57    HD3  LYS   7           3HD      LYS   7  12.695  -3.253  -4.058
   58    HE2  LYS   7           2HE      LYS   7  14.525  -3.999  -5.565
   59    HE3  LYS   7           3HE      LYS   7  14.170  -2.276  -5.677
   60    HZ1  LYS   7           3HZ      LYS   7  16.138  -1.712  -4.698
   61    HZ2  LYS   7           1HZ      LYS   7  16.615  -3.129  -5.488
   62    HZ3  LYS   7           2HZ      LYS   7  16.272  -3.159  -3.832
   63    H    ARG   8           H        ARG   8  11.428  -1.050  -0.011
   64    HA   ARG   8           HA       ARG   8  11.956  -2.220   2.641
   65    HB2  ARG   8           2HB      ARG   8  12.159   0.677   1.802
   66    HB3  ARG   8           3HB      ARG   8  12.307   0.100   3.456
   67    HG2  ARG   8           2HG      ARG   8  14.132  -0.585   1.161
   68    HG3  ARG   8           3HG      ARG   8  14.488   0.516   2.494
   69    HD2  ARG   8           2HD      ARG   8  13.779  -1.725   3.846
   70    HD3  ARG   8           3HD      ARG   8  14.508  -2.424   2.401
   71    HE   ARG   8           HE       ARG   8  16.176  -0.400   3.447
   72   HH11  ARG   8          1HH1      ARG   8  15.109  -3.653   4.083
   73   HH12  ARG   8          2HH1      ARG   8  16.551  -4.099   4.933
   74   HH21  ARG   8          2HH2      ARG   8  18.240  -2.576   5.207
   75   HH22  ARG   8          1HH2      ARG   8  18.080  -0.976   4.565
   76    H    LYS   9           H        LYS   9  10.594   0.790   2.918
   77    HA   LYS   9           HA       LYS   9   7.856  -0.298   2.994
   78    HB2  LYS   9           2HB      LYS   9   9.390   1.189   5.074
   79    HB3  LYS   9           3HB      LYS   9   7.665   1.506   4.934
   80    HG2  LYS   9           2HG      LYS   9   7.223  -0.317   6.101
   81    HG3  LYS   9           3HG      LYS   9   8.058  -1.307   4.903
   82    HD2  LYS   9           2HD      LYS   9  10.004  -1.366   6.105
   83    HD3  LYS   9           3HD      LYS   9   9.704   0.196   6.871
   84    HE2  LYS   9           2HE      LYS   9   7.684  -1.698   7.641
   85    HE3  LYS   9           3HE      LYS   9   9.288  -2.359   7.956
   86    HZ1  LYS   9           3HZ      LYS   9   8.811  -1.199   9.877
   87    HZ2  LYS   9           1HZ      LYS   9   8.040   0.068   9.065
   88    HZ3  LYS   9           2HZ      LYS   9   9.724  -0.070   9.009
   89    H    CYS  10           H        CYS  10   9.565   2.825   3.274
   90    HA   CYS  10           HA       CYS  10   7.427   4.307   2.137
   91    HB2  CYS  10           2HB      CYS  10  10.058   4.851   3.231
   92    HB3  CYS  10           3HB      CYS  10   9.751   5.821   1.796
   93    HG   CYS  10           HG       CYS  10   8.011   5.814   4.729
   94    HA   PRO  11           HA       PRO  11  10.170   4.463  -1.833
   95    HB2  PRO  11           2HB      PRO  11  12.337   2.829  -1.921
   96    HB3  PRO  11           3HB      PRO  11  12.400   4.476  -1.281
   97    HG2  PRO  11           2HG      PRO  11  12.186   1.879   0.192
   98    HG3  PRO  11           3HG      PRO  11  13.187   3.295   0.560
   99    HD2  PRO  11           2HD      PRO  11  10.857   2.785   1.842
  100    HD3  PRO  11           3HD      PRO  11  11.438   4.435   1.538
  101    H    LEU  12           H        LEU  12   9.562   3.351  -3.617
  102    HA   LEU  12           HA       LEU  12   8.914   0.495  -3.283
  103    HB2  LEU  12           2HB      LEU  12   7.034   2.294  -3.572
  104    HB3  LEU  12           3HB      LEU  12   7.503   2.221  -5.270
  105    HG   LEU  12           HG       LEU  12   7.159  -0.429  -4.616
  106   HD11  LEU  12          1HD1      LEU  12   6.204   0.123  -2.457
  107   HD12  LEU  12          2HD1      LEU  12   4.966  -0.543  -3.520
  108   HD13  LEU  12          3HD1      LEU  12   5.033   1.194  -3.226
  109   HD21  LEU  12          3HD2      LEU  12   6.395   0.391  -6.672
  110   HD22  LEU  12          1HD2      LEU  12   5.381   1.615  -5.908
  111   HD23  LEU  12          2HD2      LEU  12   4.928  -0.086  -5.816
  112    H    PHE  13           H        PHE  13   8.129   1.177  -6.330
  113    HA   PHE  13           HA       PHE  13  10.549   0.003  -7.379
  114    HB2  PHE  13           2HB      PHE  13   7.875   0.720  -8.552
  115    HB3  PHE  13           3HB      PHE  13   9.224   0.268  -9.591
  116    HD1  PHE  13           HD1      PHE  13   7.773  -1.000  -6.391
  117    HD2  PHE  13           HD2      PHE  13   9.117  -1.892 -10.330
  118    HE1  PHE  13           HE1      PHE  13   7.248  -3.376  -6.029
  119    HE2  PHE  13           HE2      PHE  13   8.593  -4.269  -9.974
  120    HZ   PHE  13           HZ       PHE  13   7.656  -5.014  -7.822
  121    H    GLY  14           H        GLY  14   8.783   2.444  -9.163
  122    HA2  GLY  14           2HA      GLY  14  11.216   4.123  -9.153
  123    HA3  GLY  14           3HA      GLY  14  10.277   3.829 -10.609
  124    H    LYS  15           H        LYS  15   8.454   4.180  -7.741
  125    HA   LYS  15           HA       LYS  15   7.712   6.910  -8.562
  126    HB2  LYS  15           2HB      LYS  15   5.548   6.408  -7.356
  127    HB3  LYS  15           3HB      LYS  15   5.829   5.486  -8.827
  128    HG2  LYS  15           2HG      LYS  15   6.664   4.311  -6.225
  129    HG3  LYS  15           3HG      LYS  15   4.949   4.331  -6.645
  130    HD2  LYS  15           2HD      LYS  15   6.673   3.436  -8.826
  131    HD3  LYS  15           3HD      LYS  15   6.762   2.408  -7.394
  132    HE2  LYS  15           2HE      LYS  15   5.018   1.473  -8.613
  133    HE3  LYS  15           3HE      LYS  15   4.186   2.496  -7.443
  134    HZ1  LYS  15           3HZ      LYS  15   3.673   4.059  -9.053
  135    HZ2  LYS  15           1HZ      LYS  15   3.473   2.600  -9.886
  136    HZ3  LYS  15           2HZ      LYS  15   4.870   3.524 -10.121
  137    H    GLY  16           H        GLY  16   6.160   6.306  -5.760
  138    HA2  GLY  16           2HA      GLY  16   8.337   7.480  -4.140
  139    HA3  GLY  16           3HA      GLY  16   6.661   7.989  -4.000
  140    H    GLY  17           H        GLY  17   5.485   5.392  -4.120
  141    HA2  GLY  17           2HA      GLY  17   4.971   3.597  -2.778
  142    HA3  GLY  17           3HA      GLY  17   6.622   3.656  -2.179
  Start of MODEL   20
    1    H21  PTL   1           H1       MET   1   1.910  -0.735   1.654
    2    H22  PTL   1           HA       MET   1   1.090  -0.797   0.106
    3    H31  PTL   1           2HB      MET   1   3.096   0.441  -0.880
    4    H32  PTL   1           3HB      MET   1   2.021   1.363   0.162
    5    H41  PTL   1           2HG      MET   1   4.318   0.065   1.477
    6    H42  PTL   1           3HG      MET   1   4.686   1.395   0.380
    7    H51  PTL   1           H3       MET   1   3.160   2.844   1.614
    8    H52  PTL   1           H2       MET   1   4.431   2.183   2.668
    9    H53  PTL   1           H4       MET   1   2.787   1.501   2.720
   10    H    VAL   2           H        VAL   2   2.680  -1.431  -1.781
   11    HA   VAL   2           HA       VAL   2   3.507  -4.102  -1.249
   12    HB   VAL   2           HB       VAL   2   3.499  -2.327  -3.637
   13   HG11  VAL   2          1HG1      VAL   2   5.713  -3.160  -3.835
   14   HG12  VAL   2          2HG1      VAL   2   5.216  -4.784  -3.359
   15   HG13  VAL   2          3HG1      VAL   2   4.709  -4.126  -4.915
   16   HG21  VAL   2          3HG2      VAL   2   1.563  -3.557  -3.541
   17   HG22  VAL   2          1HG2      VAL   2   2.569  -4.618  -4.526
   18   HG23  VAL   2          2HG2      VAL   2   2.356  -4.951  -2.807
   19    H    ALA   3           H        ALA   3   5.083  -1.060  -1.102
   20    HA   ALA   3           HA       ALA   3   7.713  -1.627  -1.699
   21    HB1  ALA   3           3HB      ALA   3   8.030   0.030   0.410
   22    HB2  ALA   3           1HB      ALA   3   7.572   0.564  -1.207
   23    HB3  ALA   3           2HB      ALA   3   6.333   0.316   0.024
   24    H    ARG   4           H        ARG   4   5.970  -2.236   1.325
   25    HA   ARG   4           HA       ARG   4   8.132  -3.124   2.858
   26    HB2  ARG   4           2HB      ARG   4   6.061  -2.640   3.944
   27    HB3  ARG   4           3HB      ARG   4   5.198  -3.813   2.958
   28    HG2  ARG   4           2HG      ARG   4   7.421  -4.841   4.614
   29    HG3  ARG   4           3HG      ARG   4   5.966  -4.305   5.458
   30    HD2  ARG   4           2HD      ARG   4   5.145  -5.836   3.223
   31    HD3  ARG   4           3HD      ARG   4   6.423  -6.735   4.041
   32    HE   ARG   4           HE       ARG   4   4.596  -5.798   5.954
   33   HH11  ARG   4          1HH1      ARG   4   4.809  -8.104   3.355
   34   HH12  ARG   4          2HH1      ARG   4   3.646  -9.186   4.046
   35   HH21  ARG   4          2HH2      ARG   4   2.653  -8.679   6.047
   36   HH22  ARG   4          1HH2      ARG   4   3.063  -7.215   6.874
   37    H    GLY   5           H        GLY   5   6.568  -4.580   0.193
   38    HA2  GLY   5           2HA      GLY   5   7.882  -7.154   0.818
   39    HA3  GLY   5           3HA      GLY   5   6.374  -7.033  -0.077
   40    H    TRP   6           H        TRP   6   8.223  -4.492  -1.041
   41    HA   TRP   6           HA       TRP   6   9.189  -5.988  -3.381
   42    HB2  TRP   6           2HB      TRP   6   7.627  -4.323  -4.058
   43    HB3  TRP   6           3HB      TRP   6   8.376  -3.104  -3.031
   44    HD1  TRP   6           HD1      TRP   6   8.858  -1.430  -5.022
   45    HE1  TRP   6           HE1      TRP   6  10.556  -1.455  -6.957
   46    HE3  TRP   6           HE3      TRP   6  10.337  -6.316  -4.741
   47    HZ2  TRP   6           HZ2      TRP   6  12.292  -3.301  -8.199
   48    HZ3  TRP   6           HZ3      TRP   6  12.020  -7.132  -6.339
   49    HH2  TRP   6           HH2      TRP   6  12.976  -5.654  -8.032
   50    H    LYS   7           H        LYS   7  10.154  -2.806  -2.164
   51    HA   LYS   7           HA       LYS   7  12.948  -3.710  -2.242
   52    HB2  LYS   7           2HB      LYS   7  11.662  -1.002  -2.494
   53    HB3  LYS   7           3HB      LYS   7  13.377  -1.170  -2.146
   54    HG2  LYS   7           2HG      LYS   7  11.919  -2.168  -4.582
   55    HG3  LYS   7           3HG      LYS   7  13.078  -0.841  -4.501
   56    HD2  LYS   7           2HD      LYS   7  14.729  -2.598  -3.621
   57    HD3  LYS   7           3HD      LYS   7  13.571  -3.790  -4.216
   58    HE2  LYS   7           2HE      LYS   7  14.844  -3.599  -6.085
   59    HE3  LYS   7           3HE      LYS   7  13.734  -2.264  -6.393
   60    HZ1  LYS   7           3HZ      LYS   7  16.134  -1.728  -6.699
   61    HZ2  LYS   7           1HZ      LYS   7  16.349  -1.932  -5.034
   62    HZ3  LYS   7           2HZ      LYS   7  15.329  -0.714  -5.611
   63    H    ARG   8           H        ARG   8  11.731  -0.921  -0.489
   64    HA   ARG   8           HA       ARG   8  12.850  -2.062   1.973
   65    HB2  ARG   8           2HB      ARG   8  12.217   0.804   1.247
   66    HB3  ARG   8           3HB      ARG   8  12.868   0.280   2.795
   67    HG2  ARG   8           2HG      ARG   8  14.905  -0.441   1.772
   68    HG3  ARG   8           3HG      ARG   8  14.247  -0.161   0.158
   69    HD2  ARG   8           2HD      ARG   8  14.355   2.147   0.377
   70    HD3  ARG   8           3HD      ARG   8  14.391   2.076   2.138
   71    HE   ARG   8           HE       ARG   8  16.696   0.858   1.010
   72   HH11  ARG   8          1HH1      ARG   8  15.257   3.947   1.719
   73   HH12  ARG   8          2HH1      ARG   8  16.775   4.771   1.852
   74   HH21  ARG   8          2HH2      ARG   8  18.734   3.623   1.545
   75   HH22  ARG   8          1HH2      ARG   8  18.702   1.931   1.182
   76    H    LYS   9           H        LYS   9  10.968   0.568   2.692
   77    HA   LYS   9           HA       LYS   9   8.610  -1.091   3.295
   78    HB2  LYS   9           2HB      LYS   9   9.781   1.031   5.102
   79    HB3  LYS   9           3HB      LYS   9   8.382   0.021   5.444
   80    HG2  LYS   9           2HG      LYS   9   9.692  -1.515   6.343
   81    HG3  LYS   9           3HG      LYS   9  10.577  -1.676   4.826
   82    HD2  LYS   9           2HD      LYS   9  12.326  -0.966   6.054
   83    HD3  LYS   9           3HD      LYS   9  11.625   0.632   5.785
   84    HE2  LYS   9           2HE      LYS   9  12.043   0.492   8.103
   85    HE3  LYS   9           3HE      LYS   9  10.305   0.259   7.913
   86    HZ1  LYS   9           3HZ      LYS   9  11.899  -2.163   7.874
   87    HZ2  LYS   9           1HZ      LYS   9  10.422  -1.849   8.637
   88    HZ3  LYS   9           2HZ      LYS   9  11.868  -1.346   9.355
   89    H    CYS  10           H        CYS  10   9.705   2.306   3.308
   90    HA   CYS  10           HA       CYS  10   7.068   3.271   2.708
   91    HB2  CYS  10           2HB      CYS  10   9.629   4.408   3.481
   92    HB3  CYS  10           3HB      CYS  10   8.855   5.351   2.212
   93    HG   CYS  10           HG       CYS  10   8.315   5.516   5.371
   94    HA   PRO  11           HA       PRO  11   9.035   4.375  -1.552
   95    HB2  PRO  11           2HB      PRO  11  11.543   3.467  -2.058
   96    HB3  PRO  11           3HB      PRO  11  11.222   5.026  -1.289
   97    HG2  PRO  11           2HG      PRO  11  11.986   2.418  -0.035
   98    HG3  PRO  11           3HG      PRO  11  12.579   4.049   0.327
   99    HD2  PRO  11           2HD      PRO  11  10.712   2.809   1.844
  100    HD3  PRO  11           3HD      PRO  11  10.740   4.569   1.615
  101    H    LEU  12           H        LEU  12   8.434   3.211  -3.290
  102    HA   LEU  12           HA       LEU  12   8.366   0.301  -3.022
  103    HB2  LEU  12           2HB      LEU  12   6.843   2.312  -4.594
  104    HB3  LEU  12           3HB      LEU  12   6.978   0.678  -5.240
  105    HG   LEU  12           HG       LEU  12   6.101   0.867  -2.431
  106   HD11  LEU  12          1HD1      LEU  12   4.165   1.967  -2.699
  107   HD12  LEU  12          2HD1      LEU  12   3.910   1.335  -4.325
  108   HD13  LEU  12          3HD1      LEU  12   4.980   2.714  -4.074
  109   HD21  LEU  12          3HD2      LEU  12   4.984  -0.626  -4.800
  110   HD22  LEU  12          1HD2      LEU  12   4.665  -0.933  -3.092
  111   HD23  LEU  12          2HD2      LEU  12   6.270  -1.234  -3.758
  112    H    PHE  13           H        PHE  13   8.213   1.664  -6.176
  113    HA   PHE  13           HA       PHE  13  10.696   0.284  -6.876
  114    HB2  PHE  13           2HB      PHE  13   8.453   1.361  -8.595
  115    HB3  PHE  13           3HB      PHE  13   9.899   0.580  -9.227
  116    HD1  PHE  13           HD1      PHE  13   7.109  -0.026  -6.834
  117    HD2  PHE  13           HD2      PHE  13   9.858  -1.686  -9.626
  118    HE1  PHE  13           HE1      PHE  13   6.018  -2.219  -6.598
  119    HE2  PHE  13           HE2      PHE  13   8.773  -3.882  -9.396
  120    HZ   PHE  13           HZ       PHE  13   6.849  -4.150  -7.881
  121    H    GLY  14           H        GLY  14   9.757   2.614  -9.135
  122    HA2  GLY  14           2HA      GLY  14  11.833   4.473  -8.149
  123    HA3  GLY  14           3HA      GLY  14  11.687   4.035  -9.845
  124    H    LYS  15           H        LYS  15   8.831   4.509  -7.936
  125    HA   LYS  15           HA       LYS  15   8.404   7.103  -9.268
  126    HB2  LYS  15           2HB      LYS  15   5.932   5.807  -8.547
  127    HB3  LYS  15           3HB      LYS  15   6.471   6.376 -10.121
  128    HG2  LYS  15           2HG      LYS  15   6.147   4.138 -10.514
  129    HG3  LYS  15           3HG      LYS  15   7.872   4.186 -10.140
  130    HD2  LYS  15           2HD      LYS  15   7.612   3.077  -8.180
  131    HD3  LYS  15           3HD      LYS  15   6.043   3.812  -7.848
  132    HE2  LYS  15           2HE      LYS  15   5.983   1.348  -8.295
  133    HE3  LYS  15           3HE      LYS  15   4.940   2.317  -9.334
  134    HZ1  LYS  15           3HZ      LYS  15   7.579   1.919 -10.404
  135    HZ2  LYS  15           1HZ      LYS  15   6.070   1.714 -11.142
  136    HZ3  LYS  15           2HZ      LYS  15   6.721   0.476 -10.192
  137    H    GLY  16           H        GLY  16   6.563   5.340  -6.793
  138    HA2  GLY  16           2HA      GLY  16   7.000   7.638  -4.986
  139    HA3  GLY  16           3HA      GLY  16   5.447   6.830  -5.133
  140    H    GLY  17           H        GLY  17   4.991   5.348  -3.646
  141    HA2  GLY  17           2HA      GLY  17   6.467   3.254  -2.753
  142    HA3  GLY  17           3HA      GLY  17   7.011   4.579  -1.736