*HEADER    ANTIMICROBIAL PROTEIN                   13-NOV-14   2MWL              
*TITLE     NMR STRUCTURE OF VG16KRKP, AN ANTIMICROBIAL PEPTIDE IN LPS            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTIMICROBIAL PEPTIDE;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    ANTIMICROBIAL PEPTIDE, ANTIENDOTOXIC MOLECULE, ANTIMICROBIAL PROTEIN  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.BHUNIA, A.DATTA                                                     
*REVDAT   1   24-DEC-14 2MWL    0                                                


VAL
ALA
ARG
GLY
TRP
LYS
ARG
LYS
CYS
PRO
LEU
PHE
GLY
LYS
GLY
GLY

1 VAL HA 2 ALA H  3.5 2.0
1 VAL QB 2 ALA H  3.8 2.0
1 VAL QQG 2 ALA H  4.0 2.0
2 ALA QB 2 ALA H  3.5 2.0
2 ALA HA 3 ARG H  3.5 2.0
2 ALA QB 3 ARG H  3.8 2.0
3 ARG QB 3 ARG H  3.5 2.0
3 ARG QG 3 ARG H  4.0 2.0
3 ARG QD 3 ARG H  4.0 2.0
3 ARG HA 4 GLY H  3.5 2.0
3 ARG QB 4 GLY H  3.5 2.0
3 ARG QG 4 GLY H  4.5 2.0
3 ARG QD 4 GLY H  4.5 2.0
4 GLY QA 5 TRP H  3.5 2.0
5 TRP HB2 5 TRP H  3.8 2.0
5 TRP HB3 5 TRP H  3.8 2.0
5 TRP HA 6 LYS H  3.5 2.0
5 TRP QB 6 LYS H  3.8 2.0
6 LYS QB 6 LYS H  3.8 2.0
6 LYS QD 6 LYS H  3.8 2.0
6 LYS QG 6 LYS H  4.0 2.0
6 LYS HA 7 ARG H  3.5 2.0
6 LYS QB 7 ARG H  3.8 2.0
6 LYS QG 7 ARG H  4.2 2.0
6 LYS QD 7 ARG H  4.2 2.0
7 ARG QB 7 ARG H  3.5 2.0
7 ARG QG 7 ARG H  4.0 2.0
7 ARG QD 7 ARG H  4.0 2.0
7 ARG HA 8 LYS H  3.5 2.0
7 ARG QB 8 LYS H  4.5 2.0
7 ARG QG 8 LYS H  4.5 2.0
7 ARG QD 8 LYS H  4.8 2.0
8 LYS QB 8 LYS H  3.8 2.0
8 LYS QD 8 LYS H  3.8 2.0
8 LYS QG 8 LYS H  3.8  2.0
8 LYS HA 9 CYS H  3.5 2.0
8 LYS QB 9 CYS H  4.0 2.0
8 LYS QG 9 CYS H  4.5 2.0
8 LYS QD 9 CYS H  4.5 2.0
9 CYS HB2 9 CYS H  3.8 2.0
9 CYS HB3 9 CYS H  3.8 2.0
10 PRO HB2 11 LEU H 5.3 2.0
10 PRO HB3 11 LEU H 5.3 2.0
10 PRO QG 11 LEU H 5.3 2.0
11 LEU QB 11 LEU H 3.5 2.0
11 LEU QQD 11 LEU H 3.8 2.0
11 LEU HA 12 PHE H 3.5 2.0
11 LEU QB 12 PHE H 4.5 2.0
11 LEU QG 12 PHE H 4.8 2.0
11 LEU QQD 12 PHE H 4.9 2.0
12 PHE HA  12 PHE QD 4.0 2.0
12 PHE HB2 12 PHE H 3.8 2.0
12 PHE HB3 12 PHE H 3.8 2.0
12 PHE HB2 12 PHE QD 4.5 2.0
12 PHE HB3 12 PHE QD 4.5 2.0
12 PHE HB3 12 PHE QE 5.0 2.0
12 PHE HB2 12 PHE QE 5.0 2.0
12 PHE HA 13 GLY H 3.5 2.0
12 PHE HB2 13 GLY H 5.0 2.0
12 PHE HB3 13 GLY H 5.0 2.0
13 GLY HA2 14 LYS H 3.5 2.0
13 GLY HA3 14 LYS H 3.5 2.0
14 LYS QB 14 LYS H 3.8 2.0
14 LYS QG 14 LYS H 4.0 2.0
14 LYS QD 14 LYS H 4.0 2.0
14 LYS HA 15 GLY H 3.5 2.0
14 LYS QB 15 GLY H 4.0 2.0
14 LYS QG 15 GLY H 4.5 2.0
14 LYS QD 15 GLY H 4.8 2.0
15 GLY QA 16 GLY H 3.5 2.0
10 PRO QG 11 LEU H 4.0 2.0
10 PRO QG 12 PHE H 4.0 2.0
2 ALA H  3 ARG H  3.5 2.0
3 ARG H  4 GLY H  3.5 2.0
4 GLY H  5 TRP H  3.5 2.0
5 TRP H  6 LYS H  3.5 2.0
6 LYS H  7 ARG H  3.5 2.0
7 ARG H  8 LYS H  3.5  2.0
8 LYS H  9 CYS H  3.5 2.0
11 LEU H 12 PHE H 3.5 2.0
12 PHE H 13 GLY H 3.5 2.0
13 GLY H 14 LYS H 3.5 2.0
14 LYS H 15 GLY H 3.5 2.0
15 GLY H 16 GLY H 3.5  2.0
12 PHE QB 5 TRP H  5.0 2.0
12 PHE QB 5 TRP HD1 3.8 2.0
5 TRP QB 12 PHE QD 3.5 2.0
5 TRP HA 11 LEU H 4.3 2.0
5 TRP HA 12 PHE QE 4.3 2.0
11 LEU QQD 5 TRP HH2 3.5 2.0
11 LEU QQD  5 TRP HD1 3.5 2.0
1 VAL QQG 5 TRP HD1 3.5 2.0
1 VAL QQG  5 TRP HH2 3.5 2.0
11 LEU QB 5 TRP HH2 3.8 2.0
2 ALA QB 5 TRP HH2 3.5 2.0
9 CYS HA 6 LYS H  3.5 2.0
2 ALA HB 5 TRP H  4.2 2.0
2 ALA HB 4 GLY H  3.8 2.0
10 PRO QG 12 PHE H 4.5 2.0
5 TRP QB 12 PHE H 4.8 2.0
11 LEU QQD 14 LYS H 4.8 2.0
14 LYS HA 11 LEU H 5.3 2.0
7 ARG HA 9 CYS H  4.0 2.0
10 PRO QG 5 TRP HZ2 4.0 2.0
# Torsion angle constraints 
# generated from HA secondary chemical shifts   
   
   2 ALA  PHI  -120   -30
   2 ALA  PSI  -120   120
   3 ARG  PHI  -120   -30
   3 ARG  PSI  -120   120
   4 GLY  PHI  -120   -30
   4 GLY  PSI  -120   120
   5 TRP  PHI  -120   -30
   5 TRP  PSI  -120   120
   6 LYS  PHI  -120   -30
   6 LYS  PSI  -120   120
   7 ARG  PHI  -120   -30
   7 ARG  PSI  -120   120
   8 LYS  PHI  -120   -30
   8 LYS  PSI  -120   120
   9 CYS  PHI  -120   -30
   9 CYS  PSI  -120   120
  11 LEU  PHI  -120   -30
  11 LEU  PSI  -120   120
  12 PHE  PHI  -120   -30
  12 PHE  PSI  -120   120
  13 GLY  PHI  -120   -30
  13 GLY  PSI  -120   120
  14 LYS  PHI  -120   -30
  14 LYS  PSI  -120   120
  15 GLY  PHI  -120   -30
  15 GLY  PSI  -120   120

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           H        VAL   1   1.807   0.001   0.856
    2    HA   VAL   1           HA       VAL   1   2.655  -0.924  -1.287
    3    HB   VAL   1           HB       VAL   1   0.640   1.003  -2.451
    4   HG11  VAL   1          1HG1      VAL   1   3.033   0.036  -3.517
    5   HG12  VAL   1          2HG1      VAL   1   1.761  -0.921  -4.276
    6   HG13  VAL   1          3HG1      VAL   1   1.725   0.839  -4.384
    7   HG21  VAL   1          3HG2      VAL   1  -0.314  -1.092  -1.446
    8   HG22  VAL   1          1HG2      VAL   1  -0.615  -0.889  -3.172
    9   HG23  VAL   1          2HG2      VAL   1   0.633  -2.006  -2.620
   10    H    ALA   2           H        ALA   2   1.613   2.435  -0.749
   11    HA   ALA   2           HA       ALA   2   4.394   3.278  -1.252
   12    HB1  ALA   2           1HB      ALA   2   2.970   4.088  -3.024
   13    HB2  ALA   2           2HB      ALA   2   1.854   4.787  -1.850
   14    HB3  ALA   2           3HB      ALA   2   3.483   5.441  -2.016
   15    H    ARG   3           H        ARG   3   2.445   5.828  -0.348
   16    HA   ARG   3           HA       ARG   3   3.212   5.547   2.484
   17    HB2  ARG   3           2HB      ARG   3   3.201   8.061   0.803
   18    HB3  ARG   3           3HB      ARG   3   3.523   8.003   2.531
   19    HG2  ARG   3           2HG      ARG   3   5.663   7.952   1.857
   20    HG3  ARG   3           3HG      ARG   3   5.344   6.228   1.657
   21    HD2  ARG   3           2HD      ARG   3   5.989   6.491  -0.461
   22    HD3  ARG   3           3HD      ARG   3   4.458   7.328  -0.713
   23    HE   ARG   3           HE       ARG   3   6.338   9.161   0.268
   24   HH11  ARG   3          1HH1      ARG   3   5.688   7.272  -2.583
   25   HH12  ARG   3          2HH1      ARG   3   6.457   8.391  -3.659
   26   HH21  ARG   3          1HH2      ARG   3   7.354  10.642  -1.138
   27   HH22  ARG   3          2HH2      ARG   3   7.406  10.307  -2.836
   28    H    GLY   4           H        GLY   4   0.826   6.601   0.159
   29    HA2  GLY   4           2HA      GLY   4  -0.944   7.832   2.020
   30    HA3  GLY   4           3HA      GLY   4  -1.352   7.304   0.395
   31    H    TRP   5           H        TRP   5  -0.096   4.626   1.638
   32    HA   TRP   5           HA       TRP   5  -2.670   3.445   2.116
   33    HB2  TRP   5           2HB      TRP   5   0.143   2.435   1.966
   34    HB3  TRP   5           3HB      TRP   5  -1.094   1.419   2.700
   35    HD1  TRP   5           HD1      TRP   5  -2.298  -0.130   1.064
   36    HE1  TRP   5           HE1      TRP   5  -2.681  -0.194  -1.480
   37    HE3  TRP   5           HE3      TRP   5  -0.105   4.312  -0.197
   38    HZ2  TRP   5           HZ2      TRP   5  -2.126   1.425  -3.725
   39    HZ3  TRP   5           HZ3      TRP   5  -0.073   4.981  -2.565
   40    HH2  TRP   5           HH2      TRP   5  -1.062   3.566  -4.291
   41    H    LYS   6           H        LYS   6  -2.031   5.472   3.997
   42    HA   LYS   6           HA       LYS   6  -1.881   3.871   6.467
   43    HB2  LYS   6           2HB      LYS   6  -0.710   6.574   5.848
   44    HB3  LYS   6           3HB      LYS   6  -1.016   6.064   7.503
   45    HG2  LYS   6           2HG      LYS   6   0.718   4.629   7.525
   46    HG3  LYS   6           3HG      LYS   6   0.490   4.159   5.839
   47    HD2  LYS   6           2HD      LYS   6   2.148   5.509   5.233
   48    HD3  LYS   6           3HD      LYS   6   1.277   6.891   5.902
   49    HE2  LYS   6           2HE      LYS   6   3.279   6.936   7.069
   50    HE3  LYS   6           3HE      LYS   6   2.208   6.074   8.172
   51    HZ1  LYS   6           3HZ      LYS   6   3.136   3.992   7.430
   52    HZ2  LYS   6           1HZ      LYS   6   4.385   5.008   7.951
   53    HZ3  LYS   6           2HZ      LYS   6   4.114   4.780   6.297
   54    H    ARG   7           H        ARG   7  -2.612   7.299   5.987
   55    HA   ARG   7           HA       ARG   7  -5.066   6.970   7.507
   56    HB2  ARG   7           2HB      ARG   7  -3.594   9.388   6.465
   57    HB3  ARG   7           3HB      ARG   7  -5.160   9.497   7.258
   58    HG2  ARG   7           2HG      ARG   7  -4.277   9.247   9.293
   59    HG3  ARG   7           3HG      ARG   7  -3.190   7.961   8.766
   60    HD2  ARG   7           2HD      ARG   7  -1.491   9.394   8.315
   61    HD3  ARG   7           3HD      ARG   7  -2.576  10.689   7.809
   62    HE   ARG   7           HE       ARG   7  -2.853  10.305  10.573
   63   HH11  ARG   7          1HH1      ARG   7  -0.524  11.461   8.257
   64   HH12  ARG   7          2HH1      ARG   7   0.233  12.554   9.369
   65   HH21  ARG   7          1HH2      ARG   7  -1.865  11.740  12.045
   66   HH22  ARG   7          2HH2      ARG   7  -0.530  12.711  11.523
   67    H    LYS   8           H        LYS   8  -4.493   9.067   4.705
   68    HA   LYS   8           HA       LYS   8  -7.160   8.639   3.745
   69    HB2  LYS   8           2HB      LYS   8  -6.409  10.092   1.844
   70    HB3  LYS   8           3HB      LYS   8  -6.209  10.813   3.436
   71    HG2  LYS   8           2HG      LYS   8  -4.130  11.277   2.812
   72    HG3  LYS   8           3HG      LYS   8  -3.797   9.554   3.005
   73    HD2  LYS   8           2HD      LYS   8  -3.828   9.158   0.756
   74    HD3  LYS   8           3HD      LYS   8  -4.984  10.451   0.434
   75    HE2  LYS   8           2HE      LYS   8  -3.368  11.987   0.136
   76    HE3  LYS   8           3HE      LYS   8  -2.389  11.357   1.459
   77    HZ1  LYS   8           3HZ      LYS   8  -1.145  10.196   0.049
   78    HZ2  LYS   8           1HZ      LYS   8  -1.859  11.086  -1.200
   79    HZ3  LYS   8           2HZ      LYS   8  -2.485   9.574  -0.775
   80    H    CYS   9           H        CYS   9  -6.222   6.174   3.812
   81    HA   CYS   9           HA       CYS   9  -4.736   5.034   1.865
   82    HB2  CYS   9           2HB      CYS   9  -6.503   3.143   1.895
   83    HB3  CYS   9           3HB      CYS   9  -5.682   3.545   3.399
   84    HG   CYS   9           HG       CYS   9  -7.793   4.064   4.764
   85    HA   PRO  10           HA       PRO  10  -6.876   6.707  -1.749
   86    HB2  PRO  10           2HB      PRO  10  -4.830   6.196  -3.460
   87    HB3  PRO  10           3HB      PRO  10  -4.865   7.609  -2.399
   88    HG2  PRO  10           2HG      PRO  10  -3.431   5.007  -2.039
   89    HG3  PRO  10           3HG      PRO  10  -2.851   6.655  -1.736
   90    HD2  PRO  10           2HD      PRO  10  -3.715   5.026   0.247
   91    HD3  PRO  10           3HD      PRO  10  -3.917   6.789   0.303
   92    H    LEU  11           H        LEU  11  -5.118   3.638  -1.528
   93    HA   LEU  11           HA       LEU  11  -7.129   2.447  -3.322
   94    HB2  LEU  11           2HB      LEU  11  -5.113   2.451  -4.542
   95    HB3  LEU  11           3HB      LEU  11  -4.173   1.950  -3.139
   96    HG   LEU  11           HG       LEU  11  -6.240   0.094  -4.224
   97   HD11  LEU  11          1HD1      LEU  11  -5.244   0.453  -6.262
   98   HD12  LEU  11          2HD1      LEU  11  -4.223  -0.826  -5.605
   99   HD13  LEU  11          3HD1      LEU  11  -3.679   0.851  -5.551
  100   HD21  LEU  11          3HD2      LEU  11  -4.460  -0.035  -2.159
  101   HD22  LEU  11          1HD2      LEU  11  -3.584  -0.858  -3.449
  102   HD23  LEU  11          2HD2      LEU  11  -5.182  -1.428  -2.966
  103    H    PHE  12           H        PHE  12  -5.077   2.052  -0.500
  104    HA   PHE  12           HA       PHE  12  -5.401  -0.506   0.275
  105    HB2  PHE  12           2HB      PHE  12  -4.650   1.811   1.552
  106    HB3  PHE  12           3HB      PHE  12  -6.070   1.321   2.470
  107    HD1  PHE  12           HD1      PHE  12  -5.640  -1.696   1.998
  108    HD2  PHE  12           HD2      PHE  12  -3.079   1.441   3.307
  109    HE1  PHE  12           HE1      PHE  12  -4.277  -3.329   3.235
  110    HE2  PHE  12           HE2      PHE  12  -1.711  -0.187   4.545
  111    HZ   PHE  12           HZ       PHE  12  -2.309  -2.576   4.509
  112    H    GLY  13           H        GLY  13  -7.788   2.040   1.035
  113    HA2  GLY  13           2HA      GLY  13  -9.825  -0.097   1.205
  114    HA3  GLY  13           3HA      GLY  13  -9.824   1.309   2.260
  115    H    LYS  14           H        LYS  14  -9.142   1.337  -1.195
  116    HA   LYS  14           HA       LYS  14 -10.571   3.523  -1.900
  117    HB2  LYS  14           2HB      LYS  14 -10.880   2.418  -4.162
  118    HB3  LYS  14           3HB      LYS  14  -9.230   2.483  -3.555
  119    HG2  LYS  14           2HG      LYS  14  -9.488   0.141  -2.770
  120    HG3  LYS  14           3HG      LYS  14 -11.072   0.102  -3.548
  121    HD2  LYS  14           2HD      LYS  14 -10.053   0.520  -5.708
  122    HD3  LYS  14           3HD      LYS  14  -8.464   0.674  -4.956
  123    HE2  LYS  14           2HE      LYS  14  -8.292  -1.499  -5.552
  124    HE3  LYS  14           3HE      LYS  14  -9.166  -1.751  -4.041
  125    HZ1  LYS  14           3HZ      LYS  14 -10.537  -1.431  -6.648
  126    HZ2  LYS  14           1HZ      LYS  14 -11.189  -1.998  -5.193
  127    HZ3  LYS  14           2HZ      LYS  14 -10.068  -2.939  -6.041
  128    H    GLY  15           H        GLY  15 -11.857   0.256  -1.482
  129    HA2  GLY  15           2HA      GLY  15 -14.516   1.008  -2.302
  130    HA3  GLY  15           3HA      GLY  15 -14.032  -0.533  -1.611
  131    H    GLY  16           H        GLY  16 -13.382  -0.353   0.795
  132    HA2  GLY  16           2HA      GLY  16 -14.232   1.614   2.512
  133    HA3  GLY  16           3HA      GLY  16 -15.672   0.661   2.183
  Start of MODEL    2
    1    H1   VAL   1           H        VAL   1   0.875  -1.521   1.165
    2    HA   VAL   1           HA       VAL   1   2.650  -2.061  -0.322
    3    HB   VAL   1           HB       VAL   1   0.791  -0.251  -1.870
    4   HG11  VAL   1          1HG1      VAL   1   3.103  -1.582  -2.690
    5   HG12  VAL   1          2HG1      VAL   1   1.764  -2.578  -3.264
    6   HG13  VAL   1          3HG1      VAL   1   1.857  -0.876  -3.718
    7   HG21  VAL   1          3HG2      VAL   1   0.549  -3.224  -1.444
    8   HG22  VAL   1          1HG2      VAL   1  -0.330  -2.024  -0.496
    9   HG23  VAL   1          2HG2      VAL   1  -0.606  -2.150  -2.233
   10    H    ALA   2           H        ALA   2   1.868   1.406  -0.457
   11    HA   ALA   2           HA       ALA   2   4.705   1.925  -1.072
   12    HB1  ALA   2           1HB      ALA   2   2.286   3.477  -1.984
   13    HB2  ALA   2           2HB      ALA   2   3.961   3.965  -2.249
   14    HB3  ALA   2           3HB      ALA   2   3.345   2.486  -2.987
   15    H    ARG   3           H        ARG   3   2.960   4.742  -0.702
   16    HA   ARG   3           HA       ARG   3   3.703   4.953   2.142
   17    HB2  ARG   3           2HB      ARG   3   4.108   7.398   1.657
   18    HB3  ARG   3           3HB      ARG   3   5.269   6.284   0.948
   19    HG2  ARG   3           2HG      ARG   3   4.058   6.443  -1.198
   20    HG3  ARG   3           3HG      ARG   3   2.986   7.640  -0.469
   21    HD2  ARG   3           2HD      ARG   3   5.733   8.347  -0.009
   22    HD3  ARG   3           3HD      ARG   3   5.452   8.084  -1.729
   23    HE   ARG   3           HE       ARG   3   4.523  10.271  -0.162
   24   HH11  ARG   3          1HH1      ARG   3   3.705   8.228  -2.859
   25   HH12  ARG   3          2HH1      ARG   3   2.701   9.416  -3.622
   26   HH21  ARG   3          1HH2      ARG   3   3.204  11.844  -1.156
   27   HH22  ARG   3          2HH2      ARG   3   2.417  11.473  -2.653
   28    H    GLY   4           H        GLY   4   1.407   5.718  -0.377
   29    HA2  GLY   4           2HA      GLY   4  -0.262   7.417   1.186
   30    HA3  GLY   4           3HA      GLY   4  -0.710   6.619  -0.314
   31    H    TRP   5           H        TRP   5   0.334   4.142   1.441
   32    HA   TRP   5           HA       TRP   5  -2.324   3.274   2.093
   33    HB2  TRP   5           2HB      TRP   5   0.404   2.047   2.191
   34    HB3  TRP   5           3HB      TRP   5  -0.908   1.288   3.088
   35    HD1  TRP   5           HD1      TRP   5  -2.218  -0.461   1.766
   36    HE1  TRP   5           HE1      TRP   5  -2.603  -0.990  -0.724
   37    HE3  TRP   5           HE3      TRP   5   0.292   3.485  -0.300
   38    HZ2  TRP   5           HZ2      TRP   5  -1.931   0.119  -3.231
   39    HZ3  TRP   5           HZ3      TRP   5   0.374   3.677  -2.751
   40    HH2  TRP   5           HH2      TRP   5  -0.714   2.028  -4.185
   41    H    LYS   6           H        LYS   6  -1.494   5.578   3.558
   42    HA   LYS   6           HA       LYS   6  -1.508   4.480   6.293
   43    HB2  LYS   6           2HB      LYS   6   0.109   6.646   5.085
   44    HB3  LYS   6           3HB      LYS   6  -0.540   6.972   6.687
   45    HG2  LYS   6           2HG      LYS   6   1.145   5.837   7.558
   46    HG3  LYS   6           3HG      LYS   6   0.529   4.376   6.783
   47    HD2  LYS   6           2HD      LYS   6   1.813   4.932   4.759
   48    HD3  LYS   6           3HD      LYS   6   2.454   6.361   5.572
   49    HE2  LYS   6           2HE      LYS   6   4.147   4.823   5.892
   50    HE3  LYS   6           3HE      LYS   6   3.220   4.665   7.383
   51    HZ1  LYS   6           3HZ      LYS   6   3.462   2.489   6.785
   52    HZ2  LYS   6           1HZ      LYS   6   3.435   2.808   5.124
   53    HZ3  LYS   6           2HZ      LYS   6   1.996   2.832   6.013
   54    H    ARG   7           H        ARG   7  -1.905   7.807   5.161
   55    HA   ARG   7           HA       ARG   7  -4.366   8.025   6.675
   56    HB2  ARG   7           2HB      ARG   7  -2.733  10.029   5.116
   57    HB3  ARG   7           3HB      ARG   7  -4.249  10.432   5.912
   58    HG2  ARG   7           2HG      ARG   7  -1.901   9.255   7.371
   59    HG3  ARG   7           3HG      ARG   7  -2.148  10.992   7.177
   60    HD2  ARG   7           2HD      ARG   7  -4.550  10.377   8.110
   61    HD3  ARG   7           3HD      ARG   7  -3.665   9.019   8.803
   62    HE   ARG   7           HE       ARG   7  -3.494  11.786   9.583
   63   HH11  ARG   7          1HH1      ARG   7  -1.901   8.690   9.586
   64   HH12  ARG   7          2HH1      ARG   7  -0.910   9.055  10.959
   65   HH21  ARG   7          1HH2      ARG   7  -2.195  12.278  11.392
   66   HH22  ARG   7          2HH2      ARG   7  -1.079  11.096  11.986
   67    H    LYS   8           H        LYS   8  -3.693   9.458   3.509
   68    HA   LYS   8           HA       LYS   8  -6.392   9.007   2.653
   69    HB2  LYS   8           2HB      LYS   8  -3.979  10.344   1.537
   70    HB3  LYS   8           3HB      LYS   8  -5.221   9.835   0.400
   71    HG2  LYS   8           2HG      LYS   8  -5.685  12.081   0.951
   72    HG3  LYS   8           3HG      LYS   8  -6.877  11.100   1.807
   73    HD2  LYS   8           2HD      LYS   8  -5.377  11.219   3.821
   74    HD3  LYS   8           3HD      LYS   8  -4.407  12.403   2.940
   75    HE2  LYS   8           2HE      LYS   8  -7.360  12.709   3.449
   76    HE3  LYS   8           3HE      LYS   8  -6.117  13.364   4.512
   77    HZ1  LYS   8           3HZ      LYS   8  -5.301  14.722   2.729
   78    HZ2  LYS   8           1HZ      LYS   8  -6.964  14.990   2.893
   79    HZ3  LYS   8           2HZ      LYS   8  -6.383  14.026   1.630
   80    H    CYS   9           H        CYS   9  -5.715   6.556   3.166
   81    HA   CYS   9           HA       CYS   9  -4.278   4.955   1.516
   82    HB2  CYS   9           2HB      CYS   9  -6.174   3.240   1.859
   83    HB3  CYS   9           3HB      CYS   9  -5.367   3.876   3.287
   84    HG   CYS   9           HG       CYS   9  -8.485   4.653   2.136
   85    HA   PRO  10           HA       PRO  10  -6.223   6.061  -2.410
   86    HB2  PRO  10           2HB      PRO  10  -4.215   5.051  -3.933
   87    HB3  PRO  10           3HB      PRO  10  -4.132   6.642  -3.166
   88    HG2  PRO  10           2HG      PRO  10  -2.944   4.044  -2.272
   89    HG3  PRO  10           3HG      PRO  10  -2.220   5.663  -2.276
   90    HD2  PRO  10           2HD      PRO  10  -3.248   4.533  -0.040
   91    HD3  PRO  10           3HD      PRO  10  -3.290   6.283  -0.331
   92    H    LEU  11           H        LEU  11  -4.734   2.953  -1.577
   93    HA   LEU  11           HA       LEU  11  -6.844   1.615  -3.139
   94    HB2  LEU  11           2HB      LEU  11  -4.859   1.207  -4.325
   95    HB3  LEU  11           3HB      LEU  11  -3.934   0.943  -2.848
   96    HG   LEU  11           HG       LEU  11  -6.135  -0.952  -3.524
   97   HD11  LEU  11          1HD1      LEU  11  -4.232  -2.277  -4.701
   98   HD12  LEU  11          2HD1      LEU  11  -3.538  -0.679  -4.971
   99   HD13  LEU  11          3HD1      LEU  11  -5.141  -1.062  -5.599
  100   HD21  LEU  11          3HD2      LEU  11  -5.154  -2.258  -1.989
  101   HD22  LEU  11          1HD2      LEU  11  -4.347  -0.776  -1.477
  102   HD23  LEU  11          2HD2      LEU  11  -3.529  -1.891  -2.571
  103    H    PHE  12           H        PHE  12  -4.824   1.598  -0.268
  104    HA   PHE  12           HA       PHE  12  -5.343  -0.732   0.974
  105    HB2  PHE  12           2HB      PHE  12  -4.420   1.720   1.802
  106    HB3  PHE  12           3HB      PHE  12  -5.880   1.528   2.767
  107    HD1  PHE  12           HD1      PHE  12  -5.684  -1.551   2.884
  108    HD2  PHE  12           HD2      PHE  12  -2.899   1.579   3.635
  109    HE1  PHE  12           HE1      PHE  12  -4.462  -3.016   4.439
  110    HE2  PHE  12           HE2      PHE  12  -1.673   0.119   5.190
  111    HZ   PHE  12           HZ       PHE  12  -2.453  -2.182   5.593
  112    H    GLY  13           H        GLY  13  -7.535   2.079   1.209
  113    HA2  GLY  13           2HA      GLY  13  -9.726   0.166   1.737
  114    HA3  GLY  13           3HA      GLY  13  -9.622   1.739   2.514
  115    H    LYS  14           H        LYS  14  -8.937   1.069  -0.875
  116    HA   LYS  14           HA       LYS  14 -10.181   3.183  -2.006
  117    HB2  LYS  14           2HB      LYS  14  -9.050   0.875  -2.965
  118    HB3  LYS  14           3HB      LYS  14 -10.718   0.709  -3.496
  119    HG2  LYS  14           2HG      LYS  14 -10.618   2.629  -4.813
  120    HG3  LYS  14           3HG      LYS  14  -9.178   3.231  -3.988
  121    HD2  LYS  14           2HD      LYS  14  -7.852   1.435  -4.963
  122    HD3  LYS  14           3HD      LYS  14  -9.290   0.783  -5.751
  123    HE2  LYS  14           2HE      LYS  14  -8.260   2.005  -7.440
  124    HE3  LYS  14           3HE      LYS  14  -9.490   3.112  -6.831
  125    HZ1  LYS  14           3HZ      LYS  14  -7.665   4.037  -5.373
  126    HZ2  LYS  14           1HZ      LYS  14  -7.541   4.371  -7.027
  127    HZ3  LYS  14           2HZ      LYS  14  -6.574   3.171  -6.332
  128    H    GLY  15           H        GLY  15 -11.756   0.104  -1.183
  129    HA2  GLY  15           2HA      GLY  15 -14.362   1.292  -1.820
  130    HA3  GLY  15           3HA      GLY  15 -14.047  -0.415  -1.546
  131    H    GLY  16           H        GLY  16 -12.550  -0.064   0.885
  132    HA2  GLY  16           2HA      GLY  16 -14.819   0.451   2.672
  133    HA3  GLY  16           3HA      GLY  16 -13.381  -0.476   3.072
  Start of MODEL    3
    1    H1   VAL   1           H        VAL   1   1.741  -1.202   1.649
    2    HA   VAL   1           HA       VAL   1   2.838  -1.895  -0.246
    3    HB   VAL   1           HB       VAL   1   0.977  -0.064  -1.768
    4   HG11  VAL   1          1HG1      VAL   1   2.033  -2.289  -3.250
    5   HG12  VAL   1          2HG1      VAL   1   2.125  -0.563  -3.604
    6   HG13  VAL   1          3HG1      VAL   1   3.344  -1.320  -2.579
    7   HG21  VAL   1          3HG2      VAL   1  -0.366  -1.970  -2.240
    8   HG22  VAL   1          1HG2      VAL   1   0.807  -3.058  -1.498
    9   HG23  VAL   1          2HG2      VAL   1  -0.116  -1.940  -0.494
   10    H    ALA   2           H        ALA   2   1.993   1.560  -0.271
   11    HA   ALA   2           HA       ALA   2   4.834   2.154  -0.788
   12    HB1  ALA   2           1HB      ALA   2   3.518   2.761  -2.717
   13    HB2  ALA   2           2HB      ALA   2   2.411   3.694  -1.709
   14    HB3  ALA   2           3HB      ALA   2   4.082   4.223  -1.907
   15    H    ARG   3           H        ARG   3   3.018   4.920  -0.359
   16    HA   ARG   3           HA       ARG   3   3.685   5.039   2.509
   17    HB2  ARG   3           2HB      ARG   3   4.118   7.467   2.177
   18    HB3  ARG   3           3HB      ARG   3   5.243   6.431   1.308
   19    HG2  ARG   3           2HG      ARG   3   4.805   7.746  -0.438
   20    HG3  ARG   3           3HG      ARG   3   3.297   6.837  -0.559
   21    HD2  ARG   3           2HD      ARG   3   2.465   8.611   1.190
   22    HD3  ARG   3           3HD      ARG   3   3.794   9.566   0.533
   23    HE   ARG   3           HE       ARG   3   1.310   8.933  -0.761
   24   HH11  ARG   3          1HH1      ARG   3   4.648   9.795  -1.247
   25   HH12  ARG   3          2HH1      ARG   3   4.379  10.476  -2.818
   26   HH21  ARG   3          1HH2      ARG   3   0.943   9.827  -2.827
   27   HH22  ARG   3          2HH2      ARG   3   2.271  10.495  -3.715
   28    H    GLY   4           H        GLY   4   1.440   5.867  -0.041
   29    HA2  GLY   4           2HA      GLY   4  -0.307   7.462   1.543
   30    HA3  GLY   4           3HA      GLY   4  -0.700   6.711   0.003
   31    H    TRP   5           H        TRP   5   0.353   4.190   1.682
   32    HA   TRP   5           HA       TRP   5  -2.301   3.246   2.243
   33    HB2  TRP   5           2HB      TRP   5   0.448   2.067   2.352
   34    HB3  TRP   5           3HB      TRP   5  -0.869   1.248   3.186
   35    HD1  TRP   5           HD1      TRP   5  -2.124  -0.463   1.762
   36    HE1  TRP   5           HE1      TRP   5  -2.437  -0.897  -0.756
   37    HE3  TRP   5           HE3      TRP   5   0.380   3.597  -0.079
   38    HZ2  TRP   5           HZ2      TRP   5  -1.717   0.320  -3.199
   39    HZ3  TRP   5           HZ3      TRP   5   0.523   3.888  -2.518
   40    HH2  TRP   5           HH2      TRP   5  -0.504   2.282  -4.044
   41    H    LYS   6           H        LYS   6  -1.571   5.502   3.815
   42    HA   LYS   6           HA       LYS   6  -1.602   4.296   6.503
   43    HB2  LYS   6           2HB      LYS   6  -0.088   6.629   5.438
   44    HB3  LYS   6           3HB      LYS   6  -0.691   6.730   7.087
   45    HG2  LYS   6           2HG      LYS   6   1.277   5.777   7.586
   46    HG3  LYS   6           3HG      LYS   6   0.442   4.287   7.144
   47    HD2  LYS   6           2HD      LYS   6   1.305   4.523   4.843
   48    HD3  LYS   6           3HD      LYS   6   2.191   5.965   5.345
   49    HE2  LYS   6           2HE      LYS   6   3.882   4.650   5.935
   50    HE3  LYS   6           3HE      LYS   6   2.857   3.972   7.199
   51    HZ1  LYS   6           3HZ      LYS   6   3.067   2.051   6.133
   52    HZ2  LYS   6           1HZ      LYS   6   3.767   2.777   4.774
   53    HZ3  LYS   6           2HZ      LYS   6   2.083   2.685   4.912
   54    H    ARG   7           H        ARG   7  -2.079   7.649   5.481
   55    HA   ARG   7           HA       ARG   7  -4.584   7.725   6.946
   56    HB2  ARG   7           2HB      ARG   7  -2.780   9.772   5.715
   57    HB3  ARG   7           3HB      ARG   7  -4.447  10.200   6.074
   58    HG2  ARG   7           2HG      ARG   7  -3.986  10.473   8.223
   59    HG3  ARG   7           3HG      ARG   7  -3.232   8.881   8.324
   60    HD2  ARG   7           2HD      ARG   7  -1.189   9.926   7.264
   61    HD3  ARG   7           3HD      ARG   7  -1.959  11.489   7.529
   62    HE   ARG   7           HE       ARG   7  -1.899  10.003   9.933
   63   HH11  ARG   7          1HH1      ARG   7   0.156  11.806   7.778
   64   HH12  ARG   7          2HH1      ARG   7   1.283  12.252   9.016
   65   HH21  ARG   7          1HH2      ARG   7  -0.422  10.583  11.572
   66   HH22  ARG   7          2HH2      ARG   7   0.954  11.556  11.173
   67    H    LYS   8           H        LYS   8  -3.826   9.310   3.868
   68    HA   LYS   8           HA       LYS   8  -6.492   8.876   2.906
   69    HB2  LYS   8           2HB      LYS   8  -4.152   9.859   1.280
   70    HB3  LYS   8           3HB      LYS   8  -5.862  10.179   1.020
   71    HG2  LYS   8           2HG      LYS   8  -4.357  11.132   3.442
   72    HG3  LYS   8           3HG      LYS   8  -4.528  12.082   1.964
   73    HD2  LYS   8           2HD      LYS   8  -6.973  10.950   3.243
   74    HD3  LYS   8           3HD      LYS   8  -6.213  12.371   3.964
   75    HE2  LYS   8           2HE      LYS   8  -6.924  13.718   2.323
   76    HE3  LYS   8           3HE      LYS   8  -6.500  12.556   1.067
   77    HZ1  LYS   8           3HZ      LYS   8  -8.892  13.010   1.167
   78    HZ2  LYS   8           1HZ      LYS   8  -8.942  12.417   2.750
   79    HZ3  LYS   8           2HZ      LYS   8  -8.547  11.382   1.473
   80    H    CYS   9           H        CYS   9  -5.738   6.408   3.366
   81    HA   CYS   9           HA       CYS   9  -4.258   4.898   1.679
   82    HB2  CYS   9           2HB      CYS   9  -6.138   3.139   1.922
   83    HB3  CYS   9           3HB      CYS   9  -5.350   3.724   3.382
   84    HG   CYS   9           HG       CYS   9  -8.530   4.117   2.361
   85    HA   PRO  10           HA       PRO  10  -6.165   6.118  -2.234
   86    HB2  PRO  10           2HB      PRO  10  -4.106   5.223  -3.760
   87    HB3  PRO  10           3HB      PRO  10  -4.079   6.783  -2.929
   88    HG2  PRO  10           2HG      PRO  10  -2.836   4.183  -2.118
   89    HG3  PRO  10           3HG      PRO  10  -2.156   5.820  -2.045
   90    HD2  PRO  10           2HD      PRO  10  -3.190   4.574   0.125
   91    HD3  PRO  10           3HD      PRO  10  -3.274   6.333  -0.096
   92    H    LEU  11           H        LEU  11  -4.619   3.018  -1.484
   93    HA   LEU  11           HA       LEU  11  -6.655   1.690  -3.150
   94    HB2  LEU  11           2HB      LEU  11  -4.616   1.384  -4.286
   95    HB3  LEU  11           3HB      LEU  11  -3.742   1.056  -2.791
   96    HG   LEU  11           HG       LEU  11  -5.891  -0.827  -3.645
   97   HD11  LEU  11          1HD1      LEU  11  -4.823  -0.848  -5.678
   98   HD12  LEU  11          2HD1      LEU  11  -3.901  -2.065  -4.797
   99   HD13  LEU  11          3HD1      LEU  11  -3.255  -0.435  -4.984
  100   HD21  LEU  11          3HD2      LEU  11  -4.961  -2.190  -2.130
  101   HD22  LEU  11          1HD2      LEU  11  -4.176  -0.731  -1.525
  102   HD23  LEU  11          2HD2      LEU  11  -3.318  -1.795  -2.640
  103    H    PHE  12           H        PHE  12  -4.712   1.612  -0.227
  104    HA   PHE  12           HA       PHE  12  -5.217  -0.774   0.913
  105    HB2  PHE  12           2HB      PHE  12  -4.360   1.663   1.853
  106    HB3  PHE  12           3HB      PHE  12  -5.836   1.403   2.778
  107    HD1  PHE  12           HD2      PHE  12  -5.581  -1.671   2.785
  108    HD2  PHE  12           HD1      PHE  12  -2.871   1.479   3.705
  109    HE1  PHE  12           HE2      PHE  12  -4.362  -3.170   4.308
  110    HE2  PHE  12           HE1      PHE  12  -1.646  -0.016   5.229
  111    HZ   PHE  12           HZ       PHE  12  -2.392  -2.343   5.533
  112    H    GLY  13           H        GLY  13  -7.463   1.989   1.190
  113    HA2  GLY  13           2HA      GLY  13  -9.632   0.023   1.601
  114    HA3  GLY  13           3HA      GLY  13  -9.575   1.570   2.431
  115    H    LYS  14           H        LYS  14  -8.795   1.027  -0.960
  116    HA   LYS  14           HA       LYS  14 -10.053   3.155  -2.049
  117    HB2  LYS  14           2HB      LYS  14  -8.841   0.918  -3.060
  118    HB3  LYS  14           3HB      LYS  14 -10.492   0.715  -3.631
  119    HG2  LYS  14           2HG      LYS  14 -10.429   2.696  -4.871
  120    HG3  LYS  14           3HG      LYS  14  -9.003   3.289  -4.016
  121    HD2  LYS  14           2HD      LYS  14  -7.791   1.267  -5.005
  122    HD3  LYS  14           3HD      LYS  14  -9.183   1.110  -6.079
  123    HE2  LYS  14           2HE      LYS  14  -8.279   3.836  -6.018
  124    HE3  LYS  14           3HE      LYS  14  -6.934   2.762  -6.402
  125    HZ1  LYS  14           3HZ      LYS  14  -8.563   1.731  -8.066
  126    HZ2  LYS  14           1HZ      LYS  14  -7.871   3.225  -8.452
  127    HZ3  LYS  14           2HZ      LYS  14  -9.459   3.153  -7.876
  128    H    GLY  15           H        GLY  15 -11.582   0.017  -1.374
  129    HA2  GLY  15           2HA      GLY  15 -14.141   0.745  -2.360
  130    HA3  GLY  15           3HA      GLY  15 -13.793  -0.603  -1.286
  131    H    GLY  16           H        GLY  16 -13.777  -0.242   0.992
  132    HA2  GLY  16           2HA      GLY  16 -14.090   1.228   2.880
  133    HA3  GLY  16           3HA      GLY  16 -15.022   2.293   1.837
  Start of MODEL    4
    1    H1   VAL   1           H        VAL   1   1.549   0.124   0.712
    2    HA   VAL   1           HA       VAL   1   2.528  -1.627  -1.208
    3    HB   VAL   1           HB       VAL   1   0.605   0.370  -2.409
    4   HG11  VAL   1          1HG1      VAL   1   2.908  -0.788  -3.486
    5   HG12  VAL   1          2HG1      VAL   1   1.559  -1.693  -4.176
    6   HG13  VAL   1          3HG1      VAL   1   1.630   0.060  -4.357
    7   HG21  VAL   1          3HG2      VAL   1  -0.781  -1.470  -3.019
    8   HG22  VAL   1          1HG2      VAL   1   0.413  -2.635  -2.446
    9   HG23  VAL   1          2HG2      VAL   1  -0.450  -1.616  -1.293
   10    H    ALA   2           H        ALA   2   1.696   1.816  -0.847
   11    HA   ALA   2           HA       ALA   2   4.520   2.456  -1.407
   12    HB1  ALA   2           1HB      ALA   2   3.138   3.245  -3.221
   13    HB2  ALA   2           2HB      ALA   2   2.070   4.076  -2.089
   14    HB3  ALA   2           3HB      ALA   2   3.734   4.623  -2.295
   15    H    ARG   3           H        ARG   3   2.717   5.163  -0.648
   16    HA   ARG   3           HA       ARG   3   3.501   5.013   2.189
   17    HB2  ARG   3           2HB      ARG   3   3.949   7.441   2.092
   18    HB3  ARG   3           3HB      ARG   3   4.996   6.522   1.019
   19    HG2  ARG   3           2HG      ARG   3   3.204   7.090  -0.778
   20    HG3  ARG   3           3HG      ARG   3   2.756   8.371   0.350
   21    HD2  ARG   3           2HD      ARG   3   5.308   8.881   0.359
   22    HD3  ARG   3           3HD      ARG   3   5.310   7.973  -1.152
   23    HE   ARG   3           HE       ARG   3   3.308   9.772  -1.490
   24   HH11  ARG   3          1HH1      ARG   3   6.660  10.028  -0.587
   25   HH12  ARG   3          2HH1      ARG   3   6.862  11.603  -1.282
   26   HH21  ARG   3          1HH2      ARG   3   3.561  11.844  -2.408
   27   HH22  ARG   3          2HH2      ARG   3   5.098  12.635  -2.316
   28    H    GLY   4           H        GLY   4   1.158   6.092  -0.177
   29    HA2  GLY   4           2HA      GLY   4  -0.528   7.508   1.620
   30    HA3  GLY   4           3HA      GLY   4  -0.984   6.903   0.034
   31    H    TRP   5           H        TRP   5   0.129   4.232   1.390
   32    HA   TRP   5           HA       TRP   5  -2.498   3.241   1.996
   33    HB2  TRP   5           2HB      TRP   5   0.243   2.045   1.835
   34    HB3  TRP   5           3HB      TRP   5  -1.046   1.146   2.632
   35    HD1  TRP   5           HD1      TRP   5  -2.409  -0.369   1.088
   36    HE1  TRP   5           HE1      TRP   5  -2.831  -0.522  -1.447
   37    HE3  TRP   5           HE3      TRP   5   0.120   3.814  -0.410
   38    HZ2  TRP   5           HZ2      TRP   5  -2.177   0.937  -3.773
   39    HZ3  TRP   5           HZ3      TRP   5   0.174   4.364  -2.807
   40    HH2  TRP   5           HH2      TRP   5  -0.950   2.954  -4.453
   41    H    LYS   6           H        LYS   6  -1.736   5.305   3.755
   42    HA   LYS   6           HA       LYS   6  -1.570   3.824   6.297
   43    HB2  LYS   6           2HB      LYS   6  -0.097   6.206   5.357
   44    HB3  LYS   6           3HB      LYS   6  -0.712   6.298   7.002
   45    HG2  LYS   6           2HG      LYS   6   0.978   5.069   7.721
   46    HG3  LYS   6           3HG      LYS   6   0.504   3.754   6.643
   47    HD2  LYS   6           2HD      LYS   6   2.085   4.268   5.113
   48    HD3  LYS   6           3HD      LYS   6   1.905   6.006   5.360
   49    HE2  LYS   6           2HE      LYS   6   3.315   4.129   7.253
   50    HE3  LYS   6           3HE      LYS   6   4.120   5.137   6.052
   51    HZ1  LYS   6           3HZ      LYS   6   4.096   6.805   7.484
   52    HZ2  LYS   6           1HZ      LYS   6   3.334   5.833   8.641
   53    HZ3  LYS   6           2HZ      LYS   6   2.407   6.754   7.568
   54    H    ARG   7           H        ARG   7  -2.190   7.247   5.642
   55    HA   ARG   7           HA       ARG   7  -4.625   7.077   7.230
   56    HB2  ARG   7           2HB      ARG   7  -2.770   9.223   6.400
   57    HB3  ARG   7           3HB      ARG   7  -4.462   9.687   6.522
   58    HG2  ARG   7           2HG      ARG   7  -4.211   9.919   8.705
   59    HG3  ARG   7           3HG      ARG   7  -3.869   8.192   8.831
   60    HD2  ARG   7           2HD      ARG   7  -1.936   8.989   9.719
   61    HD3  ARG   7           3HD      ARG   7  -1.474   9.008   8.018
   62    HE   ARG   7           HE       ARG   7  -1.362  11.283   8.126
   63   HH11  ARG   7          1HH1      ARG   7  -3.279  10.130  10.794
   64   HH12  ARG   7          2HH1      ARG   7  -3.426  11.691  11.533
   65   HH21  ARG   7          1HH2      ARG   7  -1.548  13.343   9.089
   66   HH22  ARG   7          2HH2      ARG   7  -2.442  13.518  10.561
   67    H    LYS   8           H        LYS   8  -3.937   9.012   4.330
   68    HA   LYS   8           HA       LYS   8  -6.646   8.753   3.424
   69    HB2  LYS   8           2HB      LYS   8  -5.945  10.147   1.553
   70    HB3  LYS   8           3HB      LYS   8  -5.352  10.816   3.069
   71    HG2  LYS   8           2HG      LYS   8  -3.546   8.994   1.588
   72    HG3  LYS   8           3HG      LYS   8  -3.828  10.599   0.910
   73    HD2  LYS   8           2HD      LYS   8  -3.379  11.287   3.454
   74    HD3  LYS   8           3HD      LYS   8  -2.431   9.799   3.398
   75    HE2  LYS   8           2HE      LYS   8  -0.794  11.058   2.548
   76    HE3  LYS   8           3HE      LYS   8  -1.735  11.064   1.058
   77    HZ1  LYS   8           3HZ      LYS   8  -1.613  13.141   3.158
   78    HZ2  LYS   8           1HZ      LYS   8  -2.886  13.084   2.045
   79    HZ3  LYS   8           2HZ      LYS   8  -1.298  13.296   1.503
   80    H    CYS   9           H        CYS   9  -5.767   6.222   3.625
   81    HA   CYS   9           HA       CYS   9  -4.444   4.901   1.693
   82    HB2  CYS   9           2HB      CYS   9  -6.339   3.132   1.869
   83    HB3  CYS   9           3HB      CYS   9  -5.412   3.532   3.310
   84    HG   CYS   9           HG       CYS   9  -8.662   3.846   2.736
   85    HA   PRO  10           HA       PRO  10  -6.614   6.521  -1.933
   86    HB2  PRO  10           2HB      PRO  10  -4.642   5.851  -3.673
   87    HB3  PRO  10           3HB      PRO  10  -4.589   7.309  -2.677
   88    HG2  PRO  10           2HG      PRO  10  -3.251   4.667  -2.239
   89    HG3  PRO  10           3HG      PRO  10  -2.597   6.301  -2.026
   90    HD2  PRO  10           2HD      PRO  10  -3.469   4.798   0.051
   91    HD3  PRO  10           3HD      PRO  10  -3.597   6.569   0.033
   92    H    LEU  11           H        LEU  11  -5.001   3.389  -1.591
   93    HA   LEU  11           HA       LEU  11  -7.088   2.212  -3.306
   94    HB2  LEU  11           2HB      LEU  11  -5.048   2.079  -4.512
   95    HB3  LEU  11           3HB      LEU  11  -4.168   1.524  -3.089
   96    HG   LEU  11           HG       LEU  11  -6.369  -0.172  -4.173
   97   HD11  LEU  11          1HD1      LEU  11  -4.389  -1.270  -5.501
   98   HD12  LEU  11          2HD1      LEU  11  -3.758   0.376  -5.492
   99   HD13  LEU  11          3HD1      LEU  11  -5.337   0.040  -6.204
  100   HD21  LEU  11          3HD2      LEU  11  -5.461  -1.749  -2.871
  101   HD22  LEU  11          1HD2      LEU  11  -4.621  -0.412  -2.087
  102   HD23  LEU  11          2HD2      LEU  11  -3.815  -1.337  -3.355
  103    H    PHE  12           H        PHE  12  -5.030   1.850  -0.482
  104    HA   PHE  12           HA       PHE  12  -5.495  -0.645   0.424
  105    HB2  PHE  12           2HB      PHE  12  -4.592   1.691   1.573
  106    HB3  PHE  12           3HB      PHE  12  -6.015   1.315   2.538
  107    HD1  PHE  12           HD1      PHE  12  -5.755  -1.736   2.205
  108    HD2  PHE  12           HD2      PHE  12  -2.998   1.316   3.302
  109    HE1  PHE  12           HE1      PHE  12  -4.450  -3.381   3.488
  110    HE2  PHE  12           HE2      PHE  12  -1.688  -0.324   4.586
  111    HZ   PHE  12           HZ       PHE  12  -2.413  -2.676   4.680
  112    H    GLY  13           H        GLY  13  -7.709   2.080   1.076
  113    HA2  GLY  13           2HA      GLY  13  -9.869   0.086   1.388
  114    HA3  GLY  13           3HA      GLY  13  -9.766   1.544   2.364
  115    H    LYS  14           H        LYS  14  -9.136   1.346  -1.094
  116    HA   LYS  14           HA       LYS  14 -10.449   3.574  -1.895
  117    HB2  LYS  14           2HB      LYS  14 -10.794   2.438  -4.103
  118    HB3  LYS  14           3HB      LYS  14  -9.156   2.324  -3.474
  119    HG2  LYS  14           2HG      LYS  14  -9.706   0.050  -2.630
  120    HG3  LYS  14           3HG      LYS  14 -11.266   0.177  -3.447
  121    HD2  LYS  14           2HD      LYS  14  -9.552   0.854  -5.449
  122    HD3  LYS  14           3HD      LYS  14  -8.588  -0.318  -4.548
  123    HE2  LYS  14           2HE      LYS  14 -11.022  -1.546  -4.642
  124    HE3  LYS  14           3HE      LYS  14 -10.984  -0.706  -6.191
  125    HZ1  LYS  14           3HZ      LYS  14  -8.492  -1.906  -5.793
  126    HZ2  LYS  14           1HZ      LYS  14  -9.656  -2.278  -6.963
  127    HZ3  LYS  14           2HZ      LYS  14  -9.674  -3.073  -5.470
  128    H    GLY  15           H        GLY  15 -11.902   0.411  -1.291
  129    HA2  GLY  15           2HA      GLY  15 -14.481   0.989  -2.260
  130    HA3  GLY  15           3HA      GLY  15 -14.091  -0.242  -1.067
  131    H    GLY  16           H        GLY  16 -13.924   0.431   1.187
  132    HA2  GLY  16           2HA      GLY  16 -14.365   2.726   2.442
  133    HA3  GLY  16           3HA      GLY  16 -15.966   2.429   1.782
  Start of MODEL    5
    1    H1   VAL   1           H        VAL   1   1.679  -0.050   1.364
    2    HA   VAL   1           HA       VAL   1   2.505  -1.494  -0.593
    3    HB   VAL   1           HB       VAL   1   0.613   0.394  -2.002
    4   HG11  VAL   1          1HG1      VAL   1   1.774   0.034  -3.859
    5   HG12  VAL   1          2HG1      VAL   1   2.980  -0.835  -2.908
    6   HG13  VAL   1          3HG1      VAL   1   1.637  -1.711  -3.643
    7   HG21  VAL   1          3HG2      VAL   1  -0.398  -1.591  -0.793
    8   HG22  VAL   1          1HG2      VAL   1  -0.736  -1.473  -2.520
    9   HG23  VAL   1          2HG2      VAL   1   0.478  -2.610  -1.934
   10    H    ALA   2           H        ALA   2   1.674   1.966  -0.505
   11    HA   ALA   2           HA       ALA   2   4.515   2.563  -1.020
   12    HB1  ALA   2           1HB      ALA   2   2.093   4.137  -1.884
   13    HB2  ALA   2           2HB      ALA   2   3.765   4.665  -2.078
   14    HB3  ALA   2           3HB      ALA   2   3.190   3.228  -2.925
   15    H    ARG   3           H        ARG   3   2.703   5.319  -0.503
   16    HA   ARG   3           HA       ARG   3   3.395   5.360   2.361
   17    HB2  ARG   3           2HB      ARG   3   3.846   7.781   2.107
   18    HB3  ARG   3           3HB      ARG   3   4.937   6.782   1.155
   19    HG2  ARG   3           2HG      ARG   3   3.046   7.242  -0.685
   20    HG3  ARG   3           3HG      ARG   3   2.880   8.706   0.286
   21    HD2  ARG   3           2HD      ARG   3   5.653   8.175  -0.120
   22    HD3  ARG   3           3HD      ARG   3   4.828   8.109  -1.677
   23    HE   ARG   3           HE       ARG   3   4.147  10.402  -0.070
   24   HH11  ARG   3          1HH1      ARG   3   6.325   9.092  -2.449
   25   HH12  ARG   3          2HH1      ARG   3   6.793  10.642  -3.065
   26   HH21  ARG   3          1HH2      ARG   3   4.754  12.449  -0.873
   27   HH22  ARG   3          2HH2      ARG   3   5.899  12.551  -2.168
   28    H    GLY   4           H        GLY   4   1.133   6.276  -0.147
   29    HA2  GLY   4           2HA      GLY   4  -0.602   7.820   1.492
   30    HA3  GLY   4           3HA      GLY   4  -1.010   7.107  -0.061
   31    H    TRP   5           H        TRP   5   0.047   4.534   1.513
   32    HA   TRP   5           HA       TRP   5  -2.603   3.594   2.101
   33    HB2  TRP   5           2HB      TRP   5   0.136   2.383   2.112
   34    HB3  TRP   5           3HB      TRP   5  -1.181   1.546   2.929
   35    HD1  TRP   5           HD1      TRP   5  -2.501  -0.071   1.452
   36    HE1  TRP   5           HE1      TRP   5  -2.843  -0.400  -1.077
   37    HE3  TRP   5           HE3      TRP   5   0.091   3.992  -0.253
   38    HZ2  TRP   5           HZ2      TRP   5  -2.111   0.891  -3.478
   39    HZ3  TRP   5           HZ3      TRP   5   0.223   4.373  -2.681
   40    HH2  TRP   5           HH2      TRP   5  -0.855   2.853  -4.258
   41    H    LYS   6           H        LYS   6  -1.888   5.775   3.736
   42    HA   LYS   6           HA       LYS   6  -1.810   4.474   6.379
   43    HB2  LYS   6           2HB      LYS   6  -0.330   6.824   5.336
   44    HB3  LYS   6           3HB      LYS   6  -0.949   6.953   6.977
   45    HG2  LYS   6           2HG      LYS   6   0.960   5.969   7.571
   46    HG3  LYS   6           3HG      LYS   6   0.203   4.479   7.002
   47    HD2  LYS   6           2HD      LYS   6   1.159   5.013   4.724
   48    HD3  LYS   6           3HD      LYS   6   2.099   6.283   5.511
   49    HE2  LYS   6           2HE      LYS   6   3.398   4.778   6.682
   50    HE3  LYS   6           3HE      LYS   6   2.182   3.505   6.599
   51    HZ1  LYS   6           3HZ      LYS   6   3.309   2.681   4.896
   52    HZ2  LYS   6           1HZ      LYS   6   4.353   4.011   4.853
   53    HZ3  LYS   6           2HZ      LYS   6   2.900   4.049   3.990
   54    H    ARG   7           H        ARG   7  -2.392   7.845   5.468
   55    HA   ARG   7           HA       ARG   7  -4.876   7.793   6.985
   56    HB2  ARG   7           2HB      ARG   7  -2.920   9.814   6.217
   57    HB3  ARG   7           3HB      ARG   7  -4.575  10.352   5.961
   58    HG2  ARG   7           2HG      ARG   7  -4.088  11.047   8.122
   59    HG3  ARG   7           3HG      ARG   7  -5.000   9.555   8.358
   60    HD2  ARG   7           2HD      ARG   7  -3.155   8.377   9.052
   61    HD3  ARG   7           3HD      ARG   7  -2.033   9.405   8.162
   62    HE   ARG   7           HE       ARG   7  -3.268  10.884  10.225
   63   HH11  ARG   7          1HH1      ARG   7  -0.902   8.383   9.710
   64   HH12  ARG   7          2HH1      ARG   7   0.000   8.760  11.141
   65   HH21  ARG   7          1HH2      ARG   7  -2.090  11.391  12.111
   66   HH22  ARG   7          2HH2      ARG   7  -0.677  10.471  12.506
   67    H    LYS   8           H        LYS   8  -4.088   9.519   3.980
   68    HA   LYS   8           HA       LYS   8  -6.768   9.203   3.008
   69    HB2  LYS   8           2HB      LYS   8  -6.002  10.461   1.068
   70    HB3  LYS   8           3HB      LYS   8  -5.455  11.233   2.551
   71    HG2  LYS   8           2HG      LYS   8  -3.611   9.308   1.261
   72    HG3  LYS   8           3HG      LYS   8  -3.863  10.862   0.462
   73    HD2  LYS   8           2HD      LYS   8  -3.493  11.726   2.966
   74    HD3  LYS   8           3HD      LYS   8  -2.550  10.236   3.044
   75    HE2  LYS   8           2HE      LYS   8  -0.991  11.818   2.361
   76    HE3  LYS   8           3HE      LYS   8  -1.481  11.057   0.849
   77    HZ1  LYS   8           3HZ      LYS   8  -2.148  13.011   0.089
   78    HZ2  LYS   8           1HZ      LYS   8  -1.581  13.754   1.500
   79    HZ3  LYS   8           2HZ      LYS   8  -3.186  13.229   1.407
   80    H    CYS   9           H        CYS   9  -5.909   6.691   3.414
   81    HA   CYS   9           HA       CYS   9  -4.531   5.235   1.621
   82    HB2  CYS   9           2HB      CYS   9  -6.438   3.486   1.861
   83    HB3  CYS   9           3HB      CYS   9  -5.556   3.985   3.299
   84    HG   CYS   9           HG       CYS   9  -8.084   3.839   4.219
   85    HA   PRO  10           HA       PRO  10  -6.578   6.601  -2.176
   86    HB2  PRO  10           2HB      PRO  10  -4.554   5.805  -3.802
   87    HB3  PRO  10           3HB      PRO  10  -4.526   7.330  -2.908
   88    HG2  PRO  10           2HG      PRO  10  -3.216   4.722  -2.245
   89    HG3  PRO  10           3HG      PRO  10  -2.560   6.365  -2.126
   90    HD2  PRO  10           2HD      PRO  10  -3.504   5.014   0.022
   91    HD3  PRO  10           3HD      PRO  10  -3.624   6.779  -0.123
   92    H    LEU  11           H        LEU  11  -4.991   3.497  -1.564
   93    HA   LEU  11           HA       LEU  11  -7.029   2.208  -3.258
   94    HB2  LEU  11           2HB      LEU  11  -4.953   1.985  -4.387
   95    HB3  LEU  11           3HB      LEU  11  -4.121   1.530  -2.902
   96    HG   LEU  11           HG       LEU  11  -6.294  -0.234  -3.932
   97   HD11  LEU  11          1HD1      LEU  11  -3.641   0.215  -5.204
   98   HD12  LEU  11          2HD1      LEU  11  -5.197  -0.171  -5.938
   99   HD13  LEU  11          3HD1      LEU  11  -4.276  -1.428  -5.114
  100   HD21  LEU  11          3HD2      LEU  11  -3.775  -1.346  -2.953
  101   HD22  LEU  11          1HD2      LEU  11  -5.437  -1.715  -2.492
  102   HD23  LEU  11          2HD2      LEU  11  -4.612  -0.328  -1.779
  103    H    PHE  12           H        PHE  12  -5.062   2.040  -0.352
  104    HA   PHE  12           HA       PHE  12  -5.569  -0.385   0.711
  105    HB2  PHE  12           2HB      PHE  12  -4.689   2.023   1.722
  106    HB3  PHE  12           3HB      PHE  12  -6.144   1.720   2.666
  107    HD1  PHE  12           HD2      PHE  12  -5.887  -1.348   2.553
  108    HD2  PHE  12           HD1      PHE  12  -3.152   1.766   3.523
  109    HE1  PHE  12           HE2      PHE  12  -4.631  -2.903   3.988
  110    HE2  PHE  12           HE1      PHE  12  -1.891   0.216   4.959
  111    HZ   PHE  12           HZ       PHE  12  -2.631  -2.121   5.194
  112    H    GLY  13           H        GLY  13  -7.788   2.387   1.098
  113    HA2  GLY  13           2HA      GLY  13  -9.967   0.426   1.483
  114    HA3  GLY  13           3HA      GLY  13  -9.887   1.950   2.356
  115    H    LYS  14           H        LYS  14  -9.149   1.505  -1.058
  116    HA   LYS  14           HA       LYS  14 -10.426   3.675  -2.056
  117    HB2  LYS  14           2HB      LYS  14 -10.735   2.349  -4.183
  118    HB3  LYS  14           3HB      LYS  14  -9.104   2.350  -3.523
  119    HG2  LYS  14           2HG      LYS  14  -9.591   0.138  -2.493
  120    HG3  LYS  14           3HG      LYS  14 -11.136   0.137  -3.347
  121    HD2  LYS  14           2HD      LYS  14  -9.352   0.721  -5.346
  122    HD3  LYS  14           3HD      LYS  14  -8.438  -0.403  -4.337
  123    HE2  LYS  14           2HE      LYS  14 -10.860  -1.631  -4.445
  124    HE3  LYS  14           3HE      LYS  14 -10.797  -0.860  -6.030
  125    HZ1  LYS  14           3HZ      LYS  14  -9.804  -2.908  -6.375
  126    HZ2  LYS  14           1HZ      LYS  14  -8.986  -2.893  -4.894
  127    HZ3  LYS  14           2HZ      LYS  14  -8.470  -1.891  -6.155
  128    H    GLY  15           H        GLY  15 -11.912   0.565  -1.275
  129    HA2  GLY  15           2HA      GLY  15 -14.547   1.728  -1.909
  130    HA3  GLY  15           3HA      GLY  15 -14.194   0.007  -1.868
  131    H    GLY  16           H        GLY  16 -13.892  -1.022   0.180
  132    HA2  GLY  16           2HA      GLY  16 -14.131   0.261   2.662
  133    HA3  GLY  16           3HA      GLY  16 -15.742  -0.203   2.136
  Start of MODEL    6
    1    H1   VAL   1           H        VAL   1   1.327  -0.517   0.336
    2    HA   VAL   1           HA       VAL   1   2.979  -0.447  -1.323
    3    HB   VAL   1           HB       VAL   1   0.821   1.344  -2.448
    4   HG11  VAL   1          1HG1      VAL   1   2.079  -0.548  -4.249
    5   HG12  VAL   1          2HG1      VAL   1   1.835   1.190  -4.427
    6   HG13  VAL   1          3HG1      VAL   1   3.242   0.581  -3.555
    7   HG21  VAL   1          3HG2      VAL   1   0.990  -1.664  -2.568
    8   HG22  VAL   1          1HG2      VAL   1  -0.026  -0.773  -1.435
    9   HG23  VAL   1          2HG2      VAL   1  -0.313  -0.640  -3.170
   10    H    ALA   2           H        ALA   2   1.690   2.816  -0.733
   11    HA   ALA   2           HA       ALA   2   4.390   3.875  -1.265
   12    HB1  ALA   2           1HB      ALA   2   1.732   5.193  -1.804
   13    HB2  ALA   2           2HB      ALA   2   3.305   5.970  -1.990
   14    HB3  ALA   2           3HB      ALA   2   2.876   4.593  -3.005
   15    H    ARG   3           H        ARG   3   2.273   6.262  -0.303
   16    HA   ARG   3           HA       ARG   3   3.098   6.007   2.515
   17    HB2  ARG   3           2HB      ARG   3   2.873   8.538   0.876
   18    HB3  ARG   3           3HB      ARG   3   3.244   8.471   2.594
   19    HG2  ARG   3           2HG      ARG   3   5.364   8.582   1.869
   20    HG3  ARG   3           3HG      ARG   3   5.161   6.844   1.633
   21    HD2  ARG   3           2HD      ARG   3   4.169   7.780  -0.699
   22    HD3  ARG   3           3HD      ARG   3   5.371   9.020  -0.343
   23    HE   ARG   3           HE       ARG   3   5.877   6.375  -1.234
   24   HH11  ARG   3          1HH1      ARG   3   7.117   8.869   0.855
   25   HH12  ARG   3          2HH1      ARG   3   8.760   8.329   0.740
   26   HH21  ARG   3          1HH2      ARG   3   8.035   5.654  -1.392
   27   HH22  ARG   3          2HH2      ARG   3   9.281   6.501  -0.539
   28    H    GLY   4           H        GLY   4   0.612   6.921   0.234
   29    HA2  GLY   4           2HA      GLY   4  -1.217   7.995   2.135
   30    HA3  GLY   4           3HA      GLY   4  -1.608   7.462   0.507
   31    H    TRP   5           H        TRP   5  -0.150   4.861   1.688
   32    HA   TRP   5           HA       TRP   5  -2.622   3.488   2.171
   33    HB2  TRP   5           2HB      TRP   5   0.259   2.699   1.999
   34    HB3  TRP   5           3HB      TRP   5  -0.888   1.584   2.739
   35    HD1  TRP   5           HD1      TRP   5  -1.970  -0.052   1.103
   36    HE1  TRP   5           HE1      TRP   5  -2.373  -0.132  -1.438
   37    HE3  TRP   5           HE3      TRP   5  -0.171   4.566  -0.149
   38    HZ2  TRP   5           HZ2      TRP   5  -1.979   1.541  -3.677
   39    HZ3  TRP   5           HZ3      TRP   5  -0.219   5.249  -2.513
   40    HH2  TRP   5           HH2      TRP   5  -1.104   3.767  -4.238
   41    H    LYS   6           H        LYS   6  -2.084   5.552   4.071
   42    HA   LYS   6           HA       LYS   6  -1.855   3.935   6.525
   43    HB2  LYS   6           2HB      LYS   6  -0.627   6.542   5.800
   44    HB3  LYS   6           3HB      LYS   6  -1.207   6.367   7.451
   45    HG2  LYS   6           2HG      LYS   6   0.685   5.345   7.961
   46    HG3  LYS   6           3HG      LYS   6   0.232   4.027   6.878
   47    HD2  LYS   6           2HD      LYS   6   1.346   5.084   5.032
   48    HD3  LYS   6           3HD      LYS   6   1.653   6.535   5.989
   49    HE2  LYS   6           2HE      LYS   6   2.723   4.424   7.474
   50    HE3  LYS   6           3HE      LYS   6   3.181   4.095   5.803
   51    HZ1  LYS   6           3HZ      LYS   6   4.871   5.431   6.732
   52    HZ2  LYS   6           1HZ      LYS   6   3.765   6.527   7.393
   53    HZ3  LYS   6           2HZ      LYS   6   3.981   6.452   5.718
   54    H    ARG   7           H        ARG   7  -2.745   7.330   6.083
   55    HA   ARG   7           HA       ARG   7  -5.174   6.877   7.605
   56    HB2  ARG   7           2HB      ARG   7  -3.838   9.371   6.557
   57    HB3  ARG   7           3HB      ARG   7  -5.394   9.393   7.377
   58    HG2  ARG   7           2HG      ARG   7  -4.318   9.547   9.302
   59    HG3  ARG   7           3HG      ARG   7  -3.678   7.924   9.033
   60    HD2  ARG   7           2HD      ARG   7  -1.862   9.464   9.461
   61    HD3  ARG   7           3HD      ARG   7  -1.790   8.902   7.792
   62    HE   ARG   7           HE       ARG   7  -3.239  11.322   7.944
   63   HH11  ARG   7          1HH1      ARG   7   0.000  10.061   8.141
   64   HH12  ARG   7          2HH1      ARG   7   0.744  11.527   7.593
   65   HH21  ARG   7          1HH2      ARG   7  -2.272  13.257   7.221
   66   HH22  ARG   7          2HH2      ARG   7  -0.549  13.345   7.071
   67    H    LYS   8           H        LYS   8  -4.716   9.004   4.805
   68    HA   LYS   8           HA       LYS   8  -7.365   8.458   3.858
   69    HB2  LYS   8           2HB      LYS   8  -6.685   9.937   1.949
   70    HB3  LYS   8           3HB      LYS   8  -6.510  10.670   3.539
   71    HG2  LYS   8           2HG      LYS   8  -4.456  11.222   2.905
   72    HG3  LYS   8           3HG      LYS   8  -4.048   9.516   3.101
   73    HD2  LYS   8           2HD      LYS   8  -4.062   9.113   0.856
   74    HD3  LYS   8           3HD      LYS   8  -5.284  10.345   0.533
   75    HE2  LYS   8           2HE      LYS   8  -3.748  11.947   0.197
   76    HE3  LYS   8           3HE      LYS   8  -2.751  11.407   1.546
   77    HZ1  LYS   8           3HZ      LYS   8  -1.473  11.049  -0.364
   78    HZ2  LYS   8           1HZ      LYS   8  -2.768  10.394  -1.233
   79    HZ3  LYS   8           2HZ      LYS   8  -2.070   9.517   0.033
   80    H    CYS   9           H        CYS   9  -6.348   6.034   3.918
   81    HA   CYS   9           HA       CYS   9  -4.817   4.942   1.982
   82    HB2  CYS   9           2HB      CYS   9  -7.453   3.923   3.047
   83    HB3  CYS   9           3HB      CYS   9  -6.387   2.959   2.033
   84    HG   CYS   9           HG       CYS   9  -6.392   2.806   5.117
   85    HA   PRO  10           HA       PRO  10  -6.984   6.558  -1.645
   86    HB2  PRO  10           2HB      PRO  10  -4.905   6.132  -3.338
   87    HB3  PRO  10           3HB      PRO  10  -5.003   7.539  -2.272
   88    HG2  PRO  10           2HG      PRO  10  -3.475   4.990  -1.910
   89    HG3  PRO  10           3HG      PRO  10  -2.961   6.658  -1.594
   90    HD2  PRO  10           2HD      PRO  10  -3.781   4.988   0.374
   91    HD3  PRO  10           3HD      PRO  10  -4.050   6.742   0.436
   92    H    LEU  11           H        LEU  11  -5.069   3.573  -1.478
   93    HA   LEU  11           HA       LEU  11  -7.048   2.302  -3.252
   94    HB2  LEU  11           2HB      LEU  11  -5.083   2.396  -4.524
   95    HB3  LEU  11           3HB      LEU  11  -4.067   2.000  -3.139
   96    HG   LEU  11           HG       LEU  11  -6.008  -0.038  -4.121
   97   HD11  LEU  11          1HD1      LEU  11  -3.993  -0.827  -5.567
   98   HD12  LEU  11          2HD1      LEU  11  -3.550   0.880  -5.545
   99   HD13  LEU  11          3HD1      LEU  11  -5.110   0.383  -6.200
  100   HD21  LEU  11          3HD2      LEU  11  -4.784  -1.444  -2.878
  101   HD22  LEU  11          1HD2      LEU  11  -4.158   0.020  -2.118
  102   HD23  LEU  11          2HD2      LEU  11  -3.256  -0.751  -3.423
  103    H    PHE  12           H        PHE  12  -4.913   1.960  -0.481
  104    HA   PHE  12           HA       PHE  12  -5.084  -0.608   0.273
  105    HB2  PHE  12           2HB      PHE  12  -4.485   1.740   1.578
  106    HB3  PHE  12           3HB      PHE  12  -5.858   1.135   2.498
  107    HD1  PHE  12           HD1      PHE  12  -5.199  -1.838   1.948
  108    HD2  PHE  12           HD2      PHE  12  -2.894   1.458   3.341
  109    HE1  PHE  12           HE1      PHE  12  -3.713  -3.389   3.147
  110    HE2  PHE  12           HE2      PHE  12  -1.404  -0.088   4.541
  111    HZ   PHE  12           HZ       PHE  12  -1.811  -2.515   4.445
  112    H    GLY  13           H        GLY  13  -7.607   1.753   1.180
  113    HA2  GLY  13           2HA      GLY  13  -9.515  -0.504   1.252
  114    HA3  GLY  13           3HA      GLY  13  -9.576   0.837   2.385
  115    H    LYS  14           H        LYS  14  -8.980   1.059  -1.084
  116    HA   LYS  14           HA       LYS  14 -10.521   3.207  -1.656
  117    HB2  LYS  14           2HB      LYS  14 -10.766   2.311  -3.954
  118    HB3  LYS  14           3HB      LYS  14  -9.125   2.170  -3.337
  119    HG2  LYS  14           2HG      LYS  14  -9.289   0.084  -4.148
  120    HG3  LYS  14           3HG      LYS  14 -10.102  -0.229  -2.612
  121    HD2  LYS  14           2HD      LYS  14 -11.841  -0.946  -3.809
  122    HD3  LYS  14           3HD      LYS  14 -12.112   0.738  -4.263
  123    HE2  LYS  14           2HE      LYS  14 -10.166  -0.955  -5.783
  124    HE3  LYS  14           3HE      LYS  14 -11.894  -1.063  -6.116
  125    HZ1  LYS  14           3HZ      LYS  14 -10.840   0.523  -7.582
  126    HZ2  LYS  14           1HZ      LYS  14 -10.241   1.400  -6.265
  127    HZ3  LYS  14           2HZ      LYS  14 -11.907   1.327  -6.545
  128    H    GLY  15           H        GLY  15 -11.655  -0.126  -1.344
  129    HA2  GLY  15           2HA      GLY  15 -14.346   0.463  -2.117
  130    HA3  GLY  15           3HA      GLY  15 -13.784  -1.013  -1.345
  131    H    GLY  16           H        GLY  16 -13.697  -1.122   0.939
  132    HA2  GLY  16           2HA      GLY  16 -15.443   0.874   2.236
  133    HA3  GLY  16           3HA      GLY  16 -15.323  -0.812   2.719
  Start of MODEL    7
    1    H1   VAL   1           H        VAL   1   1.042   0.304   0.860
    2    HA   VAL   1           HA       VAL   1   2.528  -1.783  -0.537
    3    HB   VAL   1           HB       VAL   1   0.589   0.038  -1.972
    4   HG11  VAL   1          1HG1      VAL   1   2.958  -1.188  -2.877
    5   HG12  VAL   1          2HG1      VAL   1   1.615  -2.104  -3.564
    6   HG13  VAL   1          3HG1      VAL   1   1.727  -0.365  -3.834
    7   HG21  VAL   1          3HG2      VAL   1  -0.379  -1.921  -0.688
    8   HG22  VAL   1          1HG2      VAL   1  -0.743  -1.863  -2.412
    9   HG23  VAL   1          2HG2      VAL   1   0.494  -2.965  -1.808
   10    H    ALA   2           H        ALA   2   1.656   1.666  -0.510
   11    HA   ALA   2           HA       ALA   2   4.476   2.286  -1.109
   12    HB1  ALA   2           1HB      ALA   2   3.095   2.895  -2.993
   13    HB2  ALA   2           2HB      ALA   2   2.015   3.815  -1.944
   14    HB3  ALA   2           3HB      ALA   2   3.676   4.355  -2.192
   15    H    ARG   3           H        ARG   3   2.654   5.034  -0.606
   16    HA   ARG   3           HA       ARG   3   3.407   5.139   2.241
   17    HB2  ARG   3           2HB      ARG   3   3.770   7.596   1.887
   18    HB3  ARG   3           3HB      ARG   3   4.923   6.559   1.057
   19    HG2  ARG   3           2HG      ARG   3   3.605   6.837  -1.022
   20    HG3  ARG   3           3HG      ARG   3   2.566   7.978  -0.164
   21    HD2  ARG   3           2HD      ARG   3   5.247   8.761   0.288
   22    HD3  ARG   3           3HD      ARG   3   5.076   8.442  -1.438
   23    HE   ARG   3           HE       ARG   3   4.021  10.653  -0.013
   24   HH11  ARG   3          1HH1      ARG   3   3.298   8.452  -2.611
   25   HH12  ARG   3          2HH1      ARG   3   2.271   9.570  -3.446
   26   HH21  ARG   3          1HH2      ARG   3   2.671  12.134  -1.103
   27   HH22  ARG   3          2HH2      ARG   3   1.915  11.664  -2.588
   28    H    GLY   4           H        GLY   4   1.078   5.963  -0.232
   29    HA2  GLY   4           2HA      GLY   4  -0.631   7.535   1.413
   30    HA3  GLY   4           3HA      GLY   4  -1.066   6.789  -0.117
   31    H    TRP   5           H        TRP   5   0.054   4.264   1.505
   32    HA   TRP   5           HA       TRP   5  -2.575   3.304   2.152
   33    HB2  TRP   5           2HB      TRP   5   0.181   2.134   2.151
   34    HB3  TRP   5           3HB      TRP   5  -1.106   1.300   3.018
   35    HD1  TRP   5           HD1      TRP   5  -2.414  -0.389   1.616
   36    HE1  TRP   5           HE1      TRP   5  -2.805  -0.796  -0.896
   37    HE3  TRP   5           HE3      TRP   5   0.045   3.683  -0.258
   38    HZ2  TRP   5           HZ2      TRP   5  -2.157   0.445  -3.347
   39    HZ3  TRP   5           HZ3      TRP   5   0.113   3.999  -2.697
   40    HH2  TRP   5           HH2      TRP   5  -0.965   2.413  -4.208
   41    H    LYS   6           H        LYS   6  -1.862   5.538   3.719
   42    HA   LYS   6           HA       LYS   6  -1.738   4.309   6.394
   43    HB2  LYS   6           2HB      LYS   6  -0.281   6.627   5.266
   44    HB3  LYS   6           3HB      LYS   6  -0.904   6.827   6.899
   45    HG2  LYS   6           2HG      LYS   6   0.849   5.730   7.677
   46    HG3  LYS   6           3HG      LYS   6   0.326   4.292   6.796
   47    HD2  LYS   6           2HD      LYS   6   1.730   4.715   5.011
   48    HD3  LYS   6           3HD      LYS   6   1.815   6.444   5.354
   49    HE2  LYS   6           2HE      LYS   6   3.540   6.199   6.776
   50    HE3  LYS   6           3HE      LYS   6   2.878   4.724   7.479
   51    HZ1  LYS   6           3HZ      LYS   6   5.041   4.782   5.929
   52    HZ2  LYS   6           1HZ      LYS   6   3.855   4.489   4.758
   53    HZ3  LYS   6           2HZ      LYS   6   4.030   3.432   6.067
   54    H    ARG   7           H        ARG   7  -2.361   7.652   5.417
   55    HA   ARG   7           HA       ARG   7  -4.829   7.612   6.959
   56    HB2  ARG   7           2HB      ARG   7  -3.031   9.723   5.874
   57    HB3  ARG   7           3HB      ARG   7  -4.723  10.137   6.114
   58    HG2  ARG   7           2HG      ARG   7  -4.276  10.538   8.241
   59    HG3  ARG   7           3HG      ARG   7  -3.905   8.826   8.454
   60    HD2  ARG   7           2HD      ARG   7  -1.577   9.349   7.641
   61    HD3  ARG   7           3HD      ARG   7  -2.006  11.056   7.757
   62    HE   ARG   7           HE       ARG   7  -1.367   9.286   9.916
   63   HH11  ARG   7          1HH1      ARG   7  -3.147  12.141   9.020
   64   HH12  ARG   7          2HH1      ARG   7  -3.149  12.801  10.622
   65   HH21  ARG   7          1HH2      ARG   7  -1.363  10.145  12.029
   66   HH22  ARG   7          2HH2      ARG   7  -2.133  11.666  12.333
   67    H    LYS   8           H        LYS   8  -4.091   9.267   3.903
   68    HA   LYS   8           HA       LYS   8  -6.779   8.907   2.971
   69    HB2  LYS   8           2HB      LYS   8  -6.044  10.117   0.988
   70    HB3  LYS   8           3HB      LYS   8  -5.485  10.932   2.443
   71    HG2  LYS   8           2HG      LYS   8  -3.643   8.984   1.184
   72    HG3  LYS   8           3HG      LYS   8  -3.915  10.515   0.348
   73    HD2  LYS   8           2HD      LYS   8  -3.522  11.447   2.824
   74    HD3  LYS   8           3HD      LYS   8  -2.568   9.965   2.929
   75    HE2  LYS   8           2HE      LYS   8  -1.492  10.714   0.737
   76    HE3  LYS   8           3HE      LYS   8  -2.228  12.286   1.050
   77    HZ1  LYS   8           3HZ      LYS   8   0.179  11.397   2.004
   78    HZ2  LYS   8           1HZ      LYS   8  -0.854  11.288   3.339
   79    HZ3  LYS   8           2HZ      LYS   8  -0.666  12.763   2.534
   80    H    CYS   9           H        CYS   9  -5.904   6.412   3.433
   81    HA   CYS   9           HA       CYS   9  -4.536   4.918   1.662
   82    HB2  CYS   9           2HB      CYS   9  -6.420   3.160   1.979
   83    HB3  CYS   9           3HB      CYS   9  -5.528   3.711   3.392
   84    HG   CYS   9           HG       CYS   9  -8.669   4.700   2.466
   85    HA   PRO  10           HA       PRO  10  -6.649   6.162  -2.141
   86    HB2  PRO  10           2HB      PRO  10  -4.646   5.330  -3.774
   87    HB3  PRO  10           3HB      PRO  10  -4.612   6.880  -2.926
   88    HG2  PRO  10           2HG      PRO  10  -3.278   4.298  -2.208
   89    HG3  PRO  10           3HG      PRO  10  -2.630   5.947  -2.146
   90    HD2  PRO  10           2HD      PRO  10  -3.534   4.653   0.054
   91    HD3  PRO  10           3HD      PRO  10  -3.665   6.413  -0.140
   92    H    LEU  11           H        LEU  11  -5.028   3.085  -1.477
   93    HA   LEU  11           HA       LEU  11  -7.092   1.737  -3.090
   94    HB2  LEU  11           2HB      LEU  11  -5.058   1.486  -4.271
   95    HB3  LEU  11           3HB      LEU  11  -4.167   1.112  -2.797
   96    HG   LEU  11           HG       LEU  11  -6.334  -0.738  -3.677
   97   HD11  LEU  11          1HD1      LEU  11  -4.347  -1.945  -4.882
   98   HD12  LEU  11          2HD1      LEU  11  -3.726  -0.303  -5.048
   99   HD13  LEU  11          3HD1      LEU  11  -5.300  -0.722  -5.722
  100   HD21  LEU  11          3HD2      LEU  11  -5.394  -2.141  -2.207
  101   HD22  LEU  11          1HD2      LEU  11  -4.583  -0.706  -1.580
  102   HD23  LEU  11          2HD2      LEU  11  -3.757  -1.751  -2.736
  103    H    PHE  12           H        PHE  12  -5.065   1.667  -0.224
  104    HA   PHE  12           HA       PHE  12  -5.518  -0.734   0.914
  105    HB2  PHE  12           2HB      PHE  12  -4.644   1.706   1.841
  106    HB3  PHE  12           3HB      PHE  12  -6.080   1.421   2.819
  107    HD1  PHE  12           HD2      PHE  12  -5.800  -1.648   2.790
  108    HD2  PHE  12           HD1      PHE  12  -3.077   1.515   3.625
  109    HE1  PHE  12           HE2      PHE  12  -4.507  -3.150   4.248
  110    HE2  PHE  12           HE1      PHE  12  -1.779   0.018   5.084
  111    HZ   PHE  12           HZ       PHE  12  -2.495  -2.318   5.398
  112    H    GLY  13           H        GLY  13  -7.765   2.020   1.268
  113    HA2  GLY  13           2HA      GLY  13  -9.910   0.044   1.754
  114    HA3  GLY  13           3HA      GLY  13  -9.832   1.593   2.580
  115    H    LYS  14           H        LYS  14  -9.158   1.056  -0.834
  116    HA   LYS  14           HA       LYS  14 -10.472   3.176  -1.877
  117    HB2  LYS  14           2HB      LYS  14  -9.254   0.967  -2.933
  118    HB3  LYS  14           3HB      LYS  14 -10.919   0.732  -3.452
  119    HG2  LYS  14           2HG      LYS  14 -10.935   2.710  -4.694
  120    HG3  LYS  14           3HG      LYS  14  -9.501   3.338  -3.878
  121    HD2  LYS  14           2HD      LYS  14  -8.248   1.377  -4.904
  122    HD3  LYS  14           3HD      LYS  14  -9.673   1.131  -5.916
  123    HE2  LYS  14           2HE      LYS  14  -9.453   3.428  -6.755
  124    HE3  LYS  14           3HE      LYS  14  -8.016   3.649  -5.759
  125    HZ1  LYS  14           3HZ      LYS  14  -6.772   2.660  -7.287
  126    HZ2  LYS  14           1HZ      LYS  14  -8.104   2.684  -8.329
  127    HZ3  LYS  14           2HZ      LYS  14  -7.801   1.321  -7.376
  128    H    GLY  15           H        GLY  15 -11.938   0.014  -1.175
  129    HA2  GLY  15           2HA      GLY  15 -14.587   1.183  -1.697
  130    HA3  GLY  15           3HA      GLY  15 -14.226  -0.536  -1.625
  131    H    GLY  16           H        GLY  16 -12.603  -0.160   0.841
  132    HA2  GLY  16           2HA      GLY  16 -13.635   0.962   3.011
  133    HA3  GLY  16           3HA      GLY  16 -14.854  -0.263   2.695
  Start of MODEL    8
    1    H1   VAL   1           H        VAL   1   0.705  -1.030   1.109
    2    HA   VAL   1           HA       VAL   1   2.716  -1.700   0.185
    3    HB   VAL   1           HB       VAL   1   2.599  -1.801  -2.268
    4   HG11  VAL   1          1HG1      VAL   1   0.451  -3.017  -2.435
    5   HG12  VAL   1          2HG1      VAL   1   1.386  -3.463  -1.006
    6   HG13  VAL   1          3HG1      VAL   1   0.000  -2.382  -0.854
    7   HG21  VAL   1          3HG2      VAL   1   1.681  -0.037  -3.292
    8   HG22  VAL   1          1HG2      VAL   1   0.131  -0.806  -2.950
    9   HG23  VAL   1          2HG2      VAL   1   0.763   0.427  -1.859
   10    H    ALA   2           H        ALA   2   1.763   1.565  -0.657
   11    HA   ALA   2           HA       ALA   2   4.579   2.225  -1.213
   12    HB1  ALA   2           1HB      ALA   2   3.713   4.228  -2.358
   13    HB2  ALA   2           2HB      ALA   2   3.120   2.729  -3.074
   14    HB3  ALA   2           3HB      ALA   2   2.069   3.683  -2.028
   15    H    ARG   3           H        ARG   3   2.707   4.952  -0.760
   16    HA   ARG   3           HA       ARG   3   3.548   5.188   2.054
   17    HB2  ARG   3           2HB      ARG   3   3.775   7.672   1.540
   18    HB3  ARG   3           3HB      ARG   3   5.005   6.612   0.865
   19    HG2  ARG   3           2HG      ARG   3   4.526   7.253  -1.202
   20    HG3  ARG   3           3HG      ARG   3   2.807   6.928  -0.969
   21    HD2  ARG   3           2HD      ARG   3   2.549   9.111   0.114
   22    HD3  ARG   3           3HD      ARG   3   4.265   9.432  -0.130
   23    HE   ARG   3           HE       ARG   3   2.168   9.612  -2.092
   24   HH11  ARG   3          1HH1      ARG   3   5.586   9.210  -1.566
   25   HH12  ARG   3          2HH1      ARG   3   6.029   9.799  -3.134
   26   HH21  ARG   3          1HH2      ARG   3   2.738  10.389  -4.160
   27   HH22  ARG   3          2HH2      ARG   3   4.408  10.471  -4.608
   28    H    GLY   4           H        GLY   4   1.161   5.987  -0.397
   29    HA2  GLY   4           2HA      GLY   4  -0.536   7.534   1.271
   30    HA3  GLY   4           3HA      GLY   4  -0.995   6.769  -0.243
   31    H    TRP   5           H        TRP   5   0.152   4.243   1.307
   32    HA   TRP   5           HA       TRP   5  -2.453   3.302   2.072
   33    HB2  TRP   5           2HB      TRP   5   0.288   2.096   1.938
   34    HB3  TRP   5           3HB      TRP   5  -0.987   1.263   2.824
   35    HD1  TRP   5           HD1      TRP   5  -2.409  -0.341   1.426
   36    HE1  TRP   5           HE1      TRP   5  -2.865  -0.691  -1.083
   37    HE3  TRP   5           HE3      TRP   5   0.166   3.665  -0.434
   38    HZ2  TRP   5           HZ2      TRP   5  -2.218   0.565  -3.527
   39    HZ3  TRP   5           HZ3      TRP   5   0.199   4.019  -2.868
   40    HH2  TRP   5           HH2      TRP   5  -0.969   2.499  -4.381
   41    H    LYS   6           H        LYS   6  -1.652   5.503   3.633
   42    HA   LYS   6           HA       LYS   6  -1.396   4.234   6.281
   43    HB2  LYS   6           2HB      LYS   6   0.006   6.571   5.115
   44    HB3  LYS   6           3HB      LYS   6  -0.519   6.733   6.786
   45    HG2  LYS   6           2HG      LYS   6   1.197   5.526   7.483
   46    HG3  LYS   6           3HG      LYS   6   0.733   4.188   6.430
   47    HD2  LYS   6           2HD      LYS   6   2.039   5.007   4.645
   48    HD3  LYS   6           3HD      LYS   6   2.236   6.585   5.411
   49    HE2  LYS   6           2HE      LYS   6   3.339   5.087   7.310
   50    HE3  LYS   6           3HE      LYS   6   3.636   4.021   5.937
   51    HZ1  LYS   6           3HZ      LYS   6   4.485   6.248   4.878
   52    HZ2  LYS   6           1HZ      LYS   6   5.492   5.310   5.862
   53    HZ3  LYS   6           2HZ      LYS   6   4.727   6.678   6.496
   54    H    ARG   7           H        ARG   7  -2.073   7.582   5.335
   55    HA   ARG   7           HA       ARG   7  -4.449   7.539   7.020
   56    HB2  ARG   7           2HB      ARG   7  -3.017   9.800   5.618
   57    HB3  ARG   7           3HB      ARG   7  -4.456  10.004   6.606
   58    HG2  ARG   7           2HG      ARG   7  -1.930   8.773   7.663
   59    HG3  ARG   7           3HG      ARG   7  -2.245  10.509   7.712
   60    HD2  ARG   7           2HD      ARG   7  -4.212   8.534   8.819
   61    HD3  ARG   7           3HD      ARG   7  -2.841   9.092   9.777
   62    HE   ARG   7           HE       ARG   7  -4.250  11.291   8.687
   63   HH11  ARG   7          1HH1      ARG   7  -4.461   8.852  11.162
   64   HH12  ARG   7          2HH1      ARG   7  -5.458   9.811  12.205
   65   HH21  ARG   7          1HH2      ARG   7  -5.561  12.564  10.052
   66   HH22  ARG   7          2HH2      ARG   7  -6.083  11.922  11.572
   67    H    LYS   8           H        LYS   8  -3.869   9.227   3.949
   68    HA   LYS   8           HA       LYS   8  -6.603   8.873   3.153
   69    HB2  LYS   8           2HB      LYS   8  -5.976  10.117   1.155
   70    HB3  LYS   8           3HB      LYS   8  -5.344  10.911   2.591
   71    HG2  LYS   8           2HG      LYS   8  -3.565   8.991   1.207
   72    HG3  LYS   8           3HG      LYS   8  -3.886  10.532   0.408
   73    HD2  LYS   8           2HD      LYS   8  -3.366  11.432   2.871
   74    HD3  LYS   8           3HD      LYS   8  -2.404   9.953   2.908
   75    HE2  LYS   8           2HE      LYS   8  -1.458  10.739   0.662
   76    HE3  LYS   8           3HE      LYS   8  -2.162  12.306   1.058
   77    HZ1  LYS   8           3HZ      LYS   8  -0.164  12.617   2.014
   78    HZ2  LYS   8           1HZ      LYS   8   0.141  10.964   2.211
   79    HZ3  LYS   8           2HZ      LYS   8  -0.857  11.777   3.308
   80    H    CYS   9           H        CYS   9  -5.684   6.375   3.533
   81    HA   CYS   9           HA       CYS   9  -4.407   4.908   1.683
   82    HB2  CYS   9           2HB      CYS   9  -6.297   3.155   2.041
   83    HB3  CYS   9           3HB      CYS   9  -5.327   3.663   3.418
   84    HG   CYS   9           HG       CYS   9  -8.587   4.270   2.756
   85    HA   PRO  10           HA       PRO  10  -6.670   6.226  -2.010
   86    HB2  PRO  10           2HB      PRO  10  -4.725   5.445  -3.736
   87    HB3  PRO  10           3HB      PRO  10  -4.670   6.977  -2.856
   88    HG2  PRO  10           2HG      PRO  10  -3.291   4.391  -2.245
   89    HG3  PRO  10           3HG      PRO  10  -2.653   6.044  -2.172
   90    HD2  PRO  10           2HD      PRO  10  -3.462   4.697   0.032
   91    HD3  PRO  10           3HD      PRO  10  -3.613   6.459  -0.119
   92    H    LEU  11           H        LEU  11  -5.017   3.148  -1.454
   93    HA   LEU  11           HA       LEU  11  -7.117   1.820  -3.039
   94    HB2  LEU  11           2HB      LEU  11  -5.066   1.627  -4.242
   95    HB3  LEU  11           3HB      LEU  11  -4.194   1.143  -2.789
   96    HG   LEU  11           HG       LEU  11  -6.414  -0.586  -3.780
   97   HD11  LEU  11          1HD1      LEU  11  -5.383  -0.524  -5.815
   98   HD12  LEU  11          2HD1      LEU  11  -4.421  -1.776  -5.029
   99   HD13  LEU  11          3HD1      LEU  11  -3.806  -0.126  -5.132
  100   HD21  LEU  11          3HD2      LEU  11  -5.527  -2.095  -2.386
  101   HD22  LEU  11          1HD2      LEU  11  -4.668  -0.726  -1.680
  102   HD23  LEU  11          2HD2      LEU  11  -3.876  -1.734  -2.892
  103    H    PHE  12           H        PHE  12  -5.019   1.699  -0.223
  104    HA   PHE  12           HA       PHE  12  -5.456  -0.718   0.885
  105    HB2  PHE  12           2HB      PHE  12  -4.553   1.709   1.831
  106    HB3  PHE  12           3HB      PHE  12  -5.956   1.397   2.847
  107    HD1  PHE  12           HD2      PHE  12  -5.679  -1.664   2.759
  108    HD2  PHE  12           HD1      PHE  12  -2.917   1.478   3.541
  109    HE1  PHE  12           HE2      PHE  12  -4.336  -3.193   4.142
  110    HE2  PHE  12           HE1      PHE  12  -1.569  -0.046   4.924
  111    HZ   PHE  12           HZ       PHE  12  -2.278  -2.385   5.227
  112    H    GLY  13           H        GLY  13  -7.676   2.041   1.348
  113    HA2  GLY  13           2HA      GLY  13  -9.820   0.069   1.854
  114    HA3  GLY  13           3HA      GLY  13  -9.711   1.603   2.705
  115    H    LYS  14           H        LYS  14  -9.130   1.123  -0.734
  116    HA   LYS  14           HA       LYS  14 -10.464   3.271  -1.699
  117    HB2  LYS  14           2HB      LYS  14  -9.270   1.088  -2.832
  118    HB3  LYS  14           3HB      LYS  14 -10.946   0.860  -3.314
  119    HG2  LYS  14           2HG      LYS  14 -10.995   2.835  -4.538
  120    HG3  LYS  14           3HG      LYS  14  -9.579   3.493  -3.713
  121    HD2  LYS  14           2HD      LYS  14  -8.160   1.839  -4.807
  122    HD3  LYS  14           3HD      LYS  14  -9.571   1.139  -5.605
  123    HE2  LYS  14           2HE      LYS  14  -8.441   2.572  -7.163
  124    HE3  LYS  14           3HE      LYS  14  -9.965   3.331  -6.704
  125    HZ1  LYS  14           3HZ      LYS  14  -7.492   4.015  -5.261
  126    HZ2  LYS  14           1HZ      LYS  14  -8.897   4.935  -5.470
  127    HZ3  LYS  14           2HZ      LYS  14  -7.818   4.734  -6.757
  128    H    GLY  15           H        GLY  15 -11.915   0.092  -1.042
  129    HA2  GLY  15           2HA      GLY  15 -14.574   1.296  -1.434
  130    HA3  GLY  15           3HA      GLY  15 -14.222  -0.425  -1.486
  131    H    GLY  16           H        GLY  16 -12.553  -0.325   0.928
  132    HA2  GLY  16           2HA      GLY  16 -13.143   0.509   3.254
  133    HA3  GLY  16           3HA      GLY  16 -14.749  -0.104   2.888
  Start of MODEL    9
    1    H1   VAL   1           H        VAL   1   1.165  -0.220   0.841
    2    HA   VAL   1           HA       VAL   1   3.051  -0.687  -0.348
    3    HB   VAL   1           HB       VAL   1   2.899  -0.491  -2.824
    4   HG11  VAL   1          1HG1      VAL   1   0.519  -1.733  -1.448
    5   HG12  VAL   1          2HG1      VAL   1   1.058  -2.103  -3.088
    6   HG13  VAL   1          3HG1      VAL   1   2.091  -2.488  -1.711
    7   HG21  VAL   1          3HG2      VAL   1   0.841   1.377  -2.147
    8   HG22  VAL   1          1HG2      VAL   1   1.537   1.013  -3.726
    9   HG23  VAL   1          2HG2      VAL   1   0.158   0.086  -3.136
   10    H    ALA   2           H        ALA   2   1.683   2.497  -0.796
   11    HA   ALA   2           HA       ALA   2   4.369   3.564  -1.358
   12    HB1  ALA   2           1HB      ALA   2   2.760   4.083  -3.095
   13    HB2  ALA   2           2HB      ALA   2   1.670   4.794  -1.903
   14    HB3  ALA   2           3HB      ALA   2   3.226   5.554  -2.239
   15    H    ARG   3           H        ARG   3   2.242   5.987  -0.535
   16    HA   ARG   3           HA       ARG   3   3.143   5.982   2.271
   17    HB2  ARG   3           2HB      ARG   3   2.787   8.417   0.516
   18    HB3  ARG   3           3HB      ARG   3   3.382   8.392   2.170
   19    HG2  ARG   3           2HG      ARG   3   5.458   8.037   1.486
   20    HG3  ARG   3           3HG      ARG   3   4.958   6.655   0.510
   21    HD2  ARG   3           2HD      ARG   3   4.155   8.364  -1.200
   22    HD3  ARG   3           3HD      ARG   3   5.064   9.555  -0.271
   23    HE   ARG   3           HE       ARG   3   6.128   7.546  -2.023
   24   HH11  ARG   3          1HH1      ARG   3   6.787   9.571   0.731
   25   HH12  ARG   3          2HH1      ARG   3   8.504   9.552   0.499
   26   HH21  ARG   3          1HH2      ARG   3   8.387   7.513  -2.339
   27   HH22  ARG   3          2HH2      ARG   3   9.413   8.382  -1.248
   28    H    GLY   4           H        GLY   4   0.617   6.819  -0.026
   29    HA2  GLY   4           2HA      GLY   4  -1.173   7.955   1.875
   30    HA3  GLY   4           3HA      GLY   4  -1.593   7.388   0.265
   31    H    TRP   5           H        TRP   5  -0.156   4.793   1.462
   32    HA   TRP   5           HA       TRP   5  -2.638   3.470   2.033
   33    HB2  TRP   5           2HB      TRP   5   0.224   2.627   1.799
   34    HB3  TRP   5           3HB      TRP   5  -0.924   1.545   2.584
   35    HD1  TRP   5           HD1      TRP   5  -2.086  -0.090   1.002
   36    HE1  TRP   5           HE1      TRP   5  -2.550  -0.202  -1.527
   37    HE3  TRP   5           HE3      TRP   5  -0.212   4.465  -0.368
   38    HZ2  TRP   5           HZ2      TRP   5  -2.171   1.426  -3.802
   39    HZ3  TRP   5           HZ3      TRP   5  -0.301   5.111  -2.740
   40    HH2  TRP   5           HH2      TRP   5  -1.260   3.622  -4.420
   41    H    LYS   6           H        LYS   6  -2.014   5.555   3.883
   42    HA   LYS   6           HA       LYS   6  -1.743   3.975   6.356
   43    HB2  LYS   6           2HB      LYS   6  -0.431   6.483   5.521
   44    HB3  LYS   6           3HB      LYS   6  -1.064   6.481   7.162
   45    HG2  LYS   6           2HG      LYS   6   0.647   5.277   7.880
   46    HG3  LYS   6           3HG      LYS   6   0.352   4.038   6.657
   47    HD2  LYS   6           2HD      LYS   6   1.790   5.033   5.124
   48    HD3  LYS   6           3HD      LYS   6   1.717   6.603   5.927
   49    HE2  LYS   6           2HE      LYS   6   2.833   4.306   7.447
   50    HE3  LYS   6           3HE      LYS   6   3.816   4.997   6.156
   51    HZ1  LYS   6           3HZ      LYS   6   2.630   6.585   8.364
   52    HZ2  LYS   6           1HZ      LYS   6   3.741   7.120   7.206
   53    HZ3  LYS   6           2HZ      LYS   6   4.214   5.991   8.373
   54    H    ARG   7           H        ARG   7  -2.595   7.375   5.874
   55    HA   ARG   7           HA       ARG   7  -4.988   6.986   7.472
   56    HB2  ARG   7           2HB      ARG   7  -3.415   9.335   6.524
   57    HB3  ARG   7           3HB      ARG   7  -5.111   9.580   6.917
   58    HG2  ARG   7           2HG      ARG   7  -4.414   9.904   9.004
   59    HG3  ARG   7           3HG      ARG   7  -4.191   8.155   9.073
   60    HD2  ARG   7           2HD      ARG   7  -2.061   8.619   9.571
   61    HD3  ARG   7           3HD      ARG   7  -1.886   8.998   7.858
   62    HE   ARG   7           HE       ARG   7  -2.808  11.286   9.170
   63   HH11  ARG   7          1HH1      ARG   7   0.028   9.272   9.039
   64   HH12  ARG   7          2HH1      ARG   7   1.119  10.557   9.441
   65   HH21  ARG   7          1HH2      ARG   7  -1.383  12.986   9.700
   66   HH22  ARG   7          2HH2      ARG   7   0.315  12.669   9.818
   67    H    LYS   8           H        LYS   8  -4.574   9.060   4.626
   68    HA   LYS   8           HA       LYS   8  -7.255   8.540   3.760
   69    HB2  LYS   8           2HB      LYS   8  -6.606   9.978   1.810
   70    HB3  LYS   8           3HB      LYS   8  -6.378  10.733   3.382
   71    HG2  LYS   8           2HG      LYS   8  -4.333  11.244   2.684
   72    HG3  LYS   8           3HG      LYS   8  -3.945   9.535   2.897
   73    HD2  LYS   8           2HD      LYS   8  -4.026   9.097   0.659
   74    HD3  LYS   8           3HD      LYS   8  -5.238  10.343   0.350
   75    HE2  LYS   8           2HE      LYS   8  -3.595  12.072   0.484
   76    HE3  LYS   8           3HE      LYS   8  -2.373  10.941   1.064
   77    HZ1  LYS   8           3HZ      LYS   8  -3.222  11.499  -1.625
   78    HZ2  LYS   8           1HZ      LYS   8  -3.152   9.844  -1.281
   79    HZ3  LYS   8           2HZ      LYS   8  -1.781  10.811  -1.068
   80    H    CYS   9           H        CYS   9  -6.273   6.102   3.832
   81    HA   CYS   9           HA       CYS   9  -4.811   4.955   1.874
   82    HB2  CYS   9           2HB      CYS   9  -7.434   3.996   3.023
   83    HB3  CYS   9           3HB      CYS   9  -6.411   2.999   1.997
   84    HG   CYS   9           HG       CYS   9  -5.766   4.117   5.152
   85    HA   PRO  10           HA       PRO  10  -7.047   6.550  -1.720
   86    HB2  PRO  10           2HB      PRO  10  -5.019   6.068  -3.459
   87    HB3  PRO  10           3HB      PRO  10  -5.069   7.492  -2.413
   88    HG2  PRO  10           2HG      PRO  10  -3.569   4.927  -2.051
   89    HG3  PRO  10           3HG      PRO  10  -3.023   6.591  -1.774
   90    HD2  PRO  10           2HD      PRO  10  -3.816   4.964   0.240
   91    HD3  PRO  10           3HD      PRO  10  -4.058   6.722   0.282
   92    H    LEU  11           H        LEU  11  -5.173   3.540  -1.554
   93    HA   LEU  11           HA       LEU  11  -7.214   2.272  -3.260
   94    HB2  LEU  11           2HB      LEU  11  -5.274   2.321  -4.576
   95    HB3  LEU  11           3HB      LEU  11  -4.236   1.918  -3.210
   96    HG   LEU  11           HG       LEU  11  -6.239  -0.090  -4.130
   97   HD11  LEU  11          1HD1      LEU  11  -5.375   0.291  -6.230
   98   HD12  LEU  11          2HD1      LEU  11  -4.271  -0.935  -5.607
   99   HD13  LEU  11          3HD1      LEU  11  -3.791   0.762  -5.612
  100   HD21  LEU  11          3HD2      LEU  11  -4.348  -0.051  -2.165
  101   HD22  LEU  11          1HD2      LEU  11  -3.489  -0.854  -3.481
  102   HD23  LEU  11          2HD2      LEU  11  -5.020  -1.509  -2.897
  103    H    PHE  12           H        PHE  12  -5.016   1.937  -0.537
  104    HA   PHE  12           HA       PHE  12  -5.210  -0.615   0.262
  105    HB2  PHE  12           2HB      PHE  12  -4.543   1.743   1.516
  106    HB3  PHE  12           3HB      PHE  12  -5.902   1.173   2.478
  107    HD1  PHE  12           HD1      PHE  12  -5.299  -1.818   1.953
  108    HD2  PHE  12           HD2      PHE  12  -2.917   1.464   3.247
  109    HE1  PHE  12           HE1      PHE  12  -3.806  -3.373   3.139
  110    HE2  PHE  12           HE2      PHE  12  -1.420  -0.086   4.434
  111    HZ   PHE  12           HZ       PHE  12  -1.863  -2.508   4.381
  112    H    GLY  13           H        GLY  13  -7.673   1.801   1.195
  113    HA2  GLY  13           2HA      GLY  13  -9.614  -0.424   1.347
  114    HA3  GLY  13           3HA      GLY  13  -9.625   0.935   2.461
  115    H    LYS  14           H        LYS  14  -9.111   1.098  -1.024
  116    HA   LYS  14           HA       LYS  14 -10.632   3.262  -1.589
  117    HB2  LYS  14           2HB      LYS  14 -10.995   2.271  -3.866
  118    HB3  LYS  14           3HB      LYS  14  -9.325   2.254  -3.317
  119    HG2  LYS  14           2HG      LYS  14  -9.595  -0.110  -2.666
  120    HG3  LYS  14           3HG      LYS  14 -11.235  -0.074  -3.318
  121    HD2  LYS  14           2HD      LYS  14  -9.224   0.918  -5.187
  122    HD3  LYS  14           3HD      LYS  14  -8.967  -0.762  -4.710
  123    HE2  LYS  14           2HE      LYS  14 -10.996  -1.455  -5.584
  124    HE3  LYS  14           3HE      LYS  14 -11.693   0.163  -5.516
  125    HZ1  LYS  14           3HZ      LYS  14 -10.046  -1.061  -7.572
  126    HZ2  LYS  14           1HZ      LYS  14  -9.706   0.561  -7.231
  127    HZ3  LYS  14           2HZ      LYS  14 -11.263   0.107  -7.710
  128    H    GLY  15           H        GLY  15 -11.809  -0.049  -1.203
  129    HA2  GLY  15           2HA      GLY  15 -14.497   0.521  -1.951
  130    HA3  GLY  15           3HA      GLY  15 -13.942  -0.903  -1.083
  131    H    GLY  16           H        GLY  16 -14.050  -0.964   1.148
  132    HA2  GLY  16           2HA      GLY  16 -14.377   1.078   2.941
  133    HA3  GLY  16           3HA      GLY  16 -15.997   0.784   2.326
  Start of MODEL   10
    1    H1   VAL   1           H        VAL   1   1.732  -0.013   1.271
    2    HA   VAL   1           HA       VAL   1   2.650  -1.706  -0.601
    3    HB   VAL   1           HB       VAL   1   0.679   0.111  -1.995
    4   HG11  VAL   1          1HG1      VAL   1   3.011  -1.031  -2.951
    5   HG12  VAL   1          2HG1      VAL   1   1.743  -2.132  -3.494
    6   HG13  VAL   1          3HG1      VAL   1   1.669  -0.422  -3.919
    7   HG21  VAL   1          3HG2      VAL   1  -0.373  -1.748  -0.705
    8   HG22  VAL   1          1HG2      VAL   1  -0.645  -1.832  -2.445
    9   HG23  VAL   1          2HG2      VAL   1   0.549  -2.885  -1.688
   10    H    ALA   2           H        ALA   2   1.688   1.718  -0.500
   11    HA   ALA   2           HA       ALA   2   4.481   2.423  -1.131
   12    HB1  ALA   2           1HB      ALA   2   1.966   3.898  -1.903
   13    HB2  ALA   2           2HB      ALA   2   3.608   4.487  -2.167
   14    HB3  ALA   2           3HB      ALA   2   3.054   3.026  -2.983
   15    H    ARG   3           H        ARG   3   2.598   5.115  -0.557
   16    HA   ARG   3           HA       ARG   3   3.393   5.195   2.280
   17    HB2  ARG   3           2HB      ARG   3   4.851   6.677   1.102
   18    HB3  ARG   3           3HB      ARG   3   3.514   7.371   0.195
   19    HG2  ARG   3           2HG      ARG   3   3.046   7.685   3.003
   20    HG3  ARG   3           3HG      ARG   3   4.644   8.304   2.581
   21    HD2  ARG   3           2HD      ARG   3   2.537   9.045   0.690
   22    HD3  ARG   3           3HD      ARG   3   2.291   9.675   2.319
   23    HE   ARG   3           HE       ARG   3   4.897  10.249   1.757
   24   HH11  ARG   3          1HH1      ARG   3   1.847  10.913   0.215
   25   HH12  ARG   3          2HH1      ARG   3   2.376  12.409  -0.480
   26   HH21  ARG   3          1HH2      ARG   3   5.605  12.217   0.847
   27   HH22  ARG   3          2HH2      ARG   3   4.514  13.150  -0.121
   28    H    GLY   4           H        GLY   4   1.013   6.040  -0.148
   29    HA2  GLY   4           2HA      GLY   4  -0.713   7.520   1.557
   30    HA3  GLY   4           3HA      GLY   4  -1.153   6.794   0.018
   31    H    TRP   5           H        TRP   5   0.052   4.264   1.566
   32    HA   TRP   5           HA       TRP   5  -2.535   3.213   2.218
   33    HB2  TRP   5           2HB      TRP   5   0.257   2.140   2.191
   34    HB3  TRP   5           3HB      TRP   5  -0.988   1.255   3.067
   35    HD1  TRP   5           HD1      TRP   5  -2.233  -0.482   1.668
   36    HE1  TRP   5           HE1      TRP   5  -2.645  -0.885  -0.841
   37    HE3  TRP   5           HE3      TRP   5   0.014   3.710  -0.206
   38    HZ2  TRP   5           HZ2      TRP   5  -2.089   0.405  -3.290
   39    HZ3  TRP   5           HZ3      TRP   5   0.031   4.050  -2.642
   40    HH2  TRP   5           HH2      TRP   5  -0.999   2.430  -4.151
   41    H    LYS   6           H        LYS   6  -1.794   5.467   3.811
   42    HA   LYS   6           HA       LYS   6  -1.711   4.203   6.472
   43    HB2  LYS   6           2HB      LYS   6  -0.270   6.583   5.408
   44    HB3  LYS   6           3HB      LYS   6  -0.818   6.639   7.078
   45    HG2  LYS   6           2HG      LYS   6   1.124   5.655   7.553
   46    HG3  LYS   6           3HG      LYS   6   0.364   4.181   6.950
   47    HD2  LYS   6           2HD      LYS   6   1.334   4.472   4.793
   48    HD3  LYS   6           3HD      LYS   6   1.885   6.100   5.194
   49    HE2  LYS   6           2HE      LYS   6   2.838   3.574   6.539
   50    HE3  LYS   6           3HE      LYS   6   3.695   4.409   5.244
   51    HZ1  LYS   6           3HZ      LYS   6   3.098   6.282   7.227
   52    HZ2  LYS   6           1HZ      LYS   6   4.619   5.707   6.758
   53    HZ3  LYS   6           2HZ      LYS   6   3.767   4.932   7.997
   54    H    ARG   7           H        ARG   7  -2.275   7.569   5.541
   55    HA   ARG   7           HA       ARG   7  -4.731   7.570   7.089
   56    HB2  ARG   7           2HB      ARG   7  -3.210   9.770   5.684
   57    HB3  ARG   7           3HB      ARG   7  -4.714  10.028   6.558
   58    HG2  ARG   7           2HG      ARG   7  -3.720   9.908   8.570
   59    HG3  ARG   7           3HG      ARG   7  -2.607   8.636   8.063
   60    HD2  ARG   7           2HD      ARG   7  -1.568  10.585   6.629
   61    HD3  ARG   7           3HD      ARG   7  -2.345  11.595   7.848
   62    HE   ARG   7           HE       ARG   7  -0.906   9.599   9.167
   63   HH11  ARG   7          1HH1      ARG   7  -0.322  12.375   7.149
   64   HH12  ARG   7          2HH1      ARG   7   1.231  12.712   7.838
   65   HH21  ARG   7          1HH2      ARG   7   1.138  10.032  10.081
   66   HH22  ARG   7          2HH2      ARG   7   2.062  11.378   9.505
   67    H    LYS   8           H        LYS   8  -4.080   9.223   4.019
   68    HA   LYS   8           HA       LYS   8  -6.773   8.803   3.134
   69    HB2  LYS   8           2HB      LYS   8  -5.962   9.924   1.041
   70    HB3  LYS   8           3HB      LYS   8  -5.712  10.855   2.512
   71    HG2  LYS   8           2HG      LYS   8  -3.616  11.113   1.827
   72    HG3  LYS   8           3HG      LYS   8  -3.373   9.421   2.267
   73    HD2  LYS   8           2HD      LYS   8  -3.434   8.707   0.102
   74    HD3  LYS   8           3HD      LYS   8  -4.534   9.991  -0.405
   75    HE2  LYS   8           2HE      LYS   8  -1.831  10.822   0.463
   76    HE3  LYS   8           3HE      LYS   8  -1.932   9.933  -1.056
   77    HZ1  LYS   8           3HZ      LYS   8  -2.088  12.339  -1.372
   78    HZ2  LYS   8           1HZ      LYS   8  -3.481  12.384  -0.412
   79    HZ3  LYS   8           2HZ      LYS   8  -3.495  11.553  -1.885
   80    H    CYS   9           H        CYS   9  -5.993   6.327   3.547
   81    HA   CYS   9           HA       CYS   9  -4.581   4.827   1.804
   82    HB2  CYS   9           2HB      CYS   9  -7.302   4.231   2.969
   83    HB3  CYS   9           3HB      CYS   9  -6.338   3.033   2.115
   84    HG   CYS   9           HG       CYS   9  -5.741   4.458   5.146
   85    HA   PRO  10           HA       PRO  10  -6.585   6.115  -2.042
   86    HB2  PRO  10           2HB      PRO  10  -4.558   5.256  -3.631
   87    HB3  PRO  10           3HB      PRO  10  -4.519   6.802  -2.776
   88    HG2  PRO  10           2HG      PRO  10  -3.244   4.196  -2.038
   89    HG3  PRO  10           3HG      PRO  10  -2.571   5.834  -1.954
   90    HD2  PRO  10           2HD      PRO  10  -3.546   4.547   0.219
   91    HD3  PRO  10           3HD      PRO  10  -3.644   6.310   0.029
   92    H    LEU  11           H        LEU  11  -4.965   3.014  -1.434
   93    HA   LEU  11           HA       LEU  11  -7.061   1.700  -3.034
   94    HB2  LEU  11           2HB      LEU  11  -5.098   1.427  -4.283
   95    HB3  LEU  11           3HB      LEU  11  -4.123   1.133  -2.846
   96    HG   LEU  11           HG       LEU  11  -6.254  -0.827  -3.556
   97   HD11  LEU  11          1HD1      LEU  11  -4.334  -2.001  -4.857
   98   HD12  LEU  11          2HD1      LEU  11  -3.719  -0.362  -5.063
   99   HD13  LEU  11          3HD1      LEU  11  -5.322  -0.783  -5.663
  100   HD21  LEU  11          3HD2      LEU  11  -4.408  -0.669  -1.558
  101   HD22  LEU  11          1HD2      LEU  11  -3.580  -1.691  -2.732
  102   HD23  LEU  11          2HD2      LEU  11  -5.166  -2.160  -2.119
  103    H    PHE  12           H        PHE  12  -4.965   1.553  -0.217
  104    HA   PHE  12           HA       PHE  12  -5.378  -0.855   0.889
  105    HB2  PHE  12           2HB      PHE  12  -4.557   1.587   1.858
  106    HB3  PHE  12           3HB      PHE  12  -5.982   1.251   2.837
  107    HD1  PHE  12           HD2      PHE  12  -5.608  -1.819   2.720
  108    HD2  PHE  12           HD1      PHE  12  -3.000   1.410   3.662
  109    HE1  PHE  12           HE2      PHE  12  -4.274  -3.317   4.145
  110    HE2  PHE  12           HE1      PHE  12  -1.661  -0.083   5.087
  111    HZ   PHE  12           HZ       PHE  12  -2.298  -2.450   5.331
  112    H    GLY  13           H        GLY  13  -7.666   1.838   1.421
  113    HA2  GLY  13           2HA      GLY  13  -9.778  -0.197   1.788
  114    HA3  GLY  13           3HA      GLY  13  -9.711   1.292   2.719
  115    H    LYS  14           H        LYS  14  -9.097   0.965  -0.737
  116    HA   LYS  14           HA       LYS  14 -10.424   3.143  -1.631
  117    HB2  LYS  14           2HB      LYS  14  -9.111   1.428  -2.982
  118    HB3  LYS  14           3HB      LYS  14 -10.607   0.510  -3.092
  119    HG2  LYS  14           2HG      LYS  14 -11.257   1.734  -4.813
  120    HG3  LYS  14           3HG      LYS  14 -11.141   3.203  -3.841
  121    HD2  LYS  14           2HD      LYS  14  -9.150   3.785  -4.729
  122    HD3  LYS  14           3HD      LYS  14  -8.575   2.118  -4.791
  123    HE2  LYS  14           2HE      LYS  14  -8.767   2.751  -7.035
  124    HE3  LYS  14           3HE      LYS  14 -10.224   1.811  -6.719
  125    HZ1  LYS  14           3HZ      LYS  14 -11.327   3.548  -7.522
  126    HZ2  LYS  14           1HZ      LYS  14  -9.966   4.552  -7.481
  127    HZ3  LYS  14           2HZ      LYS  14 -10.927   4.374  -6.101
  128    H    GLY  15           H        GLY  15 -11.977  -0.065  -1.836
  129    HA2  GLY  15           2HA      GLY  15 -14.587   1.240  -1.791
  130    HA3  GLY  15           3HA      GLY  15 -14.274  -0.450  -2.159
  131    H    GLY  16           H        GLY  16 -13.789  -1.895  -0.380
  132    HA2  GLY  16           2HA      GLY  16 -13.674  -1.558   2.257
  133    HA3  GLY  16           3HA      GLY  16 -15.367  -1.190   1.965
  Start of MODEL   11
    1    H1   VAL   1           H        VAL   1   1.837  -0.325   1.115
    2    HA   VAL   1           HA       VAL   1   2.760  -1.211  -0.880
    3    HB   VAL   1           HB       VAL   1   0.709   0.508  -2.284
    4   HG11  VAL   1          1HG1      VAL   1   1.846  -1.476  -3.968
    5   HG12  VAL   1          2HG1      VAL   1   1.921   0.280  -4.130
    6   HG13  VAL   1          3HG1      VAL   1   3.162  -0.577  -3.214
    7   HG21  VAL   1          3HG2      VAL   1  -0.670  -1.258  -2.359
    8   HG22  VAL   1          1HG2      VAL   1   0.646  -2.392  -2.661
    9   HG23  VAL   1          2HG2      VAL   1   0.289  -1.875  -1.013
   10    H    ALA   2           H        ALA   2   1.729   2.187  -0.773
   11    HA   ALA   2           HA       ALA   2   4.504   2.954  -1.410
   12    HB1  ALA   2           1HB      ALA   2   3.589   5.011  -2.420
   13    HB2  ALA   2           2HB      ALA   2   3.051   3.548  -3.247
   14    HB3  ALA   2           3HB      ALA   2   1.959   4.393  -2.150
   15    H    ARG   3           H        ARG   3   2.584   5.607  -0.799
   16    HA   ARG   3           HA       ARG   3   3.378   5.664   2.039
   17    HB2  ARG   3           2HB      ARG   3   3.435   7.903   0.012
   18    HB3  ARG   3           3HB      ARG   3   3.634   8.145   1.742
   19    HG2  ARG   3           2HG      ARG   3   5.757   7.432   1.724
   20    HG3  ARG   3           3HG      ARG   3   5.416   6.129   0.584
   21    HD2  ARG   3           2HD      ARG   3   5.210   8.001  -1.167
   22    HD3  ARG   3           3HD      ARG   3   6.027   9.011   0.025
   23    HE   ARG   3           HE       ARG   3   7.192   6.920  -1.570
   24   HH11  ARG   3          1HH1      ARG   3   7.467   8.790   1.354
   25   HH12  ARG   3          2HH1      ARG   3   9.176   8.548   1.503
   26   HH21  ARG   3          1HH2      ARG   3   9.442   6.594  -1.385
   27   HH22  ARG   3          2HH2      ARG   3  10.299   7.299  -0.056
   28    H    GLY   4           H        GLY   4   0.981   6.462  -0.376
   29    HA2  GLY   4           2HA      GLY   4  -0.760   7.925   1.337
   30    HA3  GLY   4           3HA      GLY   4  -1.190   7.206  -0.208
   31    H    TRP   5           H        TRP   5   0.050   4.682   1.330
   32    HA   TRP   5           HA       TRP   5  -2.525   3.591   1.969
   33    HB2  TRP   5           2HB      TRP   5   0.282   2.556   1.939
   34    HB3  TRP   5           3HB      TRP   5  -0.952   1.649   2.808
   35    HD1  TRP   5           HD1      TRP   5  -2.168  -0.099   1.396
   36    HE1  TRP   5           HE1      TRP   5  -2.572  -0.490  -1.115
   37    HE3  TRP   5           HE3      TRP   5   0.014   4.141  -0.448
   38    HZ2  TRP   5           HZ2      TRP   5  -2.037   0.825  -3.555
   39    HZ3  TRP   5           HZ3      TRP   5   0.026   4.499  -2.882
   40    HH2  TRP   5           HH2      TRP   5  -0.978   2.873  -4.402
   41    H    LYS   6           H        LYS   6  -1.810   5.846   3.578
   42    HA   LYS   6           HA       LYS   6  -1.719   4.565   6.230
   43    HB2  LYS   6           2HB      LYS   6  -0.269   6.929   5.171
   44    HB3  LYS   6           3HB      LYS   6  -0.867   7.040   6.821
   45    HG2  LYS   6           2HG      LYS   6   1.296   6.234   7.064
   46    HG3  LYS   6           3HG      LYS   6   0.295   4.785   7.187
   47    HD2  LYS   6           2HD      LYS   6   1.543   3.894   5.572
   48    HD3  LYS   6           3HD      LYS   6   0.824   5.065   4.464
   49    HE2  LYS   6           2HE      LYS   6   3.093   5.424   4.173
   50    HE3  LYS   6           3HE      LYS   6   2.659   6.662   5.350
   51    HZ1  LYS   6           3HZ      LYS   6   3.299   4.599   6.937
   52    HZ2  LYS   6           1HZ      LYS   6   4.378   5.821   6.486
   53    HZ3  LYS   6           2HZ      LYS   6   4.369   4.351   5.650
   54    H    ARG   7           H        ARG   7  -2.314   7.932   5.325
   55    HA   ARG   7           HA       ARG   7  -4.767   7.904   6.873
   56    HB2  ARG   7           2HB      ARG   7  -3.005   9.999   5.698
   57    HB3  ARG   7           3HB      ARG   7  -4.694  10.409   5.969
   58    HG2  ARG   7           2HG      ARG   7  -3.775  11.082   7.946
   59    HG3  ARG   7           3HG      ARG   7  -4.226   9.425   8.353
   60    HD2  ARG   7           2HD      ARG   7  -1.952   8.681   7.895
   61    HD3  ARG   7           3HD      ARG   7  -1.496  10.321   7.438
   62    HE   ARG   7           HE       ARG   7  -2.548  10.355  10.040
   63   HH11  ARG   7          1HH1      ARG   7   0.243   9.227   8.291
   64   HH12  ARG   7          2HH1      ARG   7   1.306   9.342   9.654
   65   HH21  ARG   7          1HH2      ARG   7  -1.158  10.511  11.842
   66   HH22  ARG   7          2HH2      ARG   7   0.508  10.072  11.673
   67    H    LYS   8           H        LYS   8  -4.157   9.574   3.805
   68    HA   LYS   8           HA       LYS   8  -6.845   9.103   2.928
   69    HB2  LYS   8           2HB      LYS   8  -4.581  10.159   1.242
   70    HB3  LYS   8           3HB      LYS   8  -6.304  10.449   1.043
   71    HG2  LYS   8           2HG      LYS   8  -4.745  11.390   3.434
   72    HG3  LYS   8           3HG      LYS   8  -4.975  12.361   1.978
   73    HD2  LYS   8           2HD      LYS   8  -7.356  11.164   3.319
   74    HD3  LYS   8           3HD      LYS   8  -6.606  12.598   4.022
   75    HE2  LYS   8           2HE      LYS   8  -6.776  13.182   1.320
   76    HE3  LYS   8           3HE      LYS   8  -8.284  12.336   1.666
   77    HZ1  LYS   8           3HZ      LYS   8  -7.841  14.961   2.106
   78    HZ2  LYS   8           1HZ      LYS   8  -7.574  14.305   3.643
   79    HZ3  LYS   8           2HZ      LYS   8  -9.049  14.045   2.857
   80    H    CYS   9           H        CYS   9  -6.046   6.642   3.312
   81    HA   CYS   9           HA       CYS   9  -4.594   5.182   1.562
   82    HB2  CYS   9           2HB      CYS   9  -7.308   4.528   2.716
   83    HB3  CYS   9           3HB      CYS   9  -6.320   3.355   1.855
   84    HG   CYS   9           HG       CYS   9  -6.301   3.961   4.995
   85    HA   PRO  10           HA       PRO  10  -6.610   6.462  -2.278
   86    HB2  PRO  10           2HB      PRO  10  -4.570   5.642  -3.870
   87    HB3  PRO  10           3HB      PRO  10  -4.553   7.183  -3.005
   88    HG2  PRO  10           2HG      PRO  10  -3.244   4.589  -2.282
   89    HG3  PRO  10           3HG      PRO  10  -2.593   6.236  -2.186
   90    HD2  PRO  10           2HD      PRO  10  -3.555   4.922  -0.023
   91    HD3  PRO  10           3HD      PRO  10  -3.676   6.684  -0.202
   92    H    LEU  11           H        LEU  11  -4.950   3.381  -1.688
   93    HA   LEU  11           HA       LEU  11  -7.026   2.049  -3.299
   94    HB2  LEU  11           2HB      LEU  11  -5.061   1.809  -4.550
   95    HB3  LEU  11           3HB      LEU  11  -4.080   1.523  -3.114
   96    HG   LEU  11           HG       LEU  11  -6.182  -0.466  -3.832
   97   HD11  LEU  11          1HD1      LEU  11  -5.255  -0.401  -5.940
   98   HD12  LEU  11          2HD1      LEU  11  -4.243  -1.603  -5.140
   99   HD13  LEU  11          3HD1      LEU  11  -3.657   0.048  -5.342
  100   HD21  LEU  11          3HD2      LEU  11  -4.338  -0.290  -1.835
  101   HD22  LEU  11          1HD2      LEU  11  -3.492  -1.290  -3.016
  102   HD23  LEU  11          2HD2      LEU  11  -5.069  -1.791  -2.406
  103    H    PHE  12           H        PHE  12  -4.929   1.910  -0.482
  104    HA   PHE  12           HA       PHE  12  -5.309  -0.511   0.608
  105    HB2  PHE  12           2HB      PHE  12  -4.523   1.936   1.593
  106    HB3  PHE  12           3HB      PHE  12  -5.943   1.573   2.569
  107    HD1  PHE  12           HD2      PHE  12  -5.525  -1.491   2.429
  108    HD2  PHE  12           HD1      PHE  12  -2.966   1.768   3.400
  109    HE1  PHE  12           HE2      PHE  12  -4.171  -2.980   3.844
  110    HE2  PHE  12           HE1      PHE  12  -1.607   0.284   4.816
  111    HZ   PHE  12           HZ       PHE  12  -2.210  -2.093   5.041
  112    H    GLY  13           H        GLY  13  -7.634   2.147   1.159
  113    HA2  GLY  13           2HA      GLY  13  -9.718   0.079   1.509
  114    HA3  GLY  13           3HA      GLY  13  -9.672   1.562   2.452
  115    H    LYS  14           H        LYS  14  -9.054   1.270  -1.007
  116    HA   LYS  14           HA       LYS  14 -10.414   3.438  -1.881
  117    HB2  LYS  14           2HB      LYS  14 -10.789   2.193  -4.032
  118    HB3  LYS  14           3HB      LYS  14  -9.135   2.151  -3.434
  119    HG2  LYS  14           2HG      LYS  14  -9.624  -0.095  -2.462
  120    HG3  LYS  14           3HG      LYS  14 -11.186  -0.045  -3.282
  121    HD2  LYS  14           2HD      LYS  14  -8.740   0.479  -4.891
  122    HD3  LYS  14           3HD      LYS  14  -9.064  -1.181  -4.388
  123    HE2  LYS  14           2HE      LYS  14 -11.254  -1.094  -5.429
  124    HE3  LYS  14           3HE      LYS  14 -11.004   0.596  -5.865
  125    HZ1  LYS  14           3HZ      LYS  14  -9.016  -0.218  -7.158
  126    HZ2  LYS  14           1HZ      LYS  14 -10.530  -0.645  -7.781
  127    HZ3  LYS  14           2HZ      LYS  14  -9.611  -1.786  -6.936
  128    H    GLY  15           H        GLY  15 -11.818   0.278  -1.144
  129    HA2  GLY  15           2HA      GLY  15 -14.496   1.421  -1.608
  130    HA3  GLY  15           3HA      GLY  15 -14.117  -0.294  -1.635
  131    H    GLY  16           H        GLY  16 -14.414  -1.457   0.172
  132    HA2  GLY  16           2HA      GLY  16 -15.129   0.046   2.609
  133    HA3  GLY  16           3HA      GLY  16 -15.753  -1.543   2.193
  Start of MODEL   12
    1    H1   VAL   1           H        VAL   1   1.720   0.614   0.904
    2    HA   VAL   1           HA       VAL   1   2.791  -1.108  -0.915
    3    HB   VAL   1           HB       VAL   1   0.798   0.677  -2.320
    4   HG11  VAL   1          1HG1      VAL   1   1.978   0.386  -4.177
    5   HG12  VAL   1          2HG1      VAL   1   3.232  -0.410  -3.225
    6   HG13  VAL   1          3HG1      VAL   1   1.945  -1.364  -3.963
    7   HG21  VAL   1          3HG2      VAL   1  -0.445  -1.262  -2.849
    8   HG22  VAL   1          1HG2      VAL   1   0.831  -2.330  -2.262
    9   HG23  VAL   1          2HG2      VAL   1  -0.106  -1.365  -1.121
   10    H    ALA   2           H        ALA   2   1.773   2.294  -0.751
   11    HA   ALA   2           HA       ALA   2   4.565   3.060  -1.307
   12    HB1  ALA   2           1HB      ALA   2   3.680   5.145  -2.288
   13    HB2  ALA   2           2HB      ALA   2   3.162   3.704  -3.163
   14    HB3  ALA   2           3HB      ALA   2   2.043   4.524  -2.073
   15    H    ARG   3           H        ARG   3   2.637   5.706  -0.678
   16    HA   ARG   3           HA       ARG   3   3.373   5.698   2.176
   17    HB2  ARG   3           2HB      ARG   3   3.316   8.119   0.368
   18    HB3  ARG   3           3HB      ARG   3   3.856   8.059   2.041
   19    HG2  ARG   3           2HG      ARG   3   5.899   7.882   1.160
   20    HG3  ARG   3           3HG      ARG   3   5.463   6.194   0.882
   21    HD2  ARG   3           2HD      ARG   3   4.817   6.655  -1.367
   22    HD3  ARG   3           3HD      ARG   3   4.946   8.394  -1.108
   23    HE   ARG   3           HE       ARG   3   7.175   8.233  -1.553
   24   HH11  ARG   3          1HH1      ARG   3   5.996   5.086  -0.645
   25   HH12  ARG   3          2HH1      ARG   3   7.497   4.285  -0.972
   26   HH21  ARG   3          1HH2      ARG   3   9.157   7.190  -1.988
   27   HH22  ARG   3          2HH2      ARG   3   9.295   5.483  -1.735
   28    H    GLY   4           H        GLY   4   1.030   6.563  -0.271
   29    HA2  GLY   4           2HA      GLY   4  -0.743   7.990   1.437
   30    HA3  GLY   4           3HA      GLY   4  -1.143   7.306  -0.132
   31    H    TRP   5           H        TRP   5   0.059   4.746   1.377
   32    HA   TRP   5           HA       TRP   5  -2.531   3.648   1.938
   33    HB2  TRP   5           2HB      TRP   5   0.274   2.608   1.946
   34    HB3  TRP   5           3HB      TRP   5  -0.981   1.685   2.769
   35    HD1  TRP   5           HD1      TRP   5  -2.166  -0.031   1.294
   36    HE1  TRP   5           HE1      TRP   5  -2.517  -0.367  -1.234
   37    HE3  TRP   5           HE3      TRP   5   0.057   4.246  -0.411
   38    HZ2  TRP   5           HZ2      TRP   5  -1.929   0.999  -3.633
   39    HZ3  TRP   5           HZ3      TRP   5   0.121   4.655  -2.836
   40    HH2  TRP   5           HH2      TRP   5  -0.851   3.064  -4.412
   41    H    LYS   6           H        LYS   6  -1.847   5.867   3.609
   42    HA   LYS   6           HA       LYS   6  -1.819   4.529   6.235
   43    HB2  LYS   6           2HB      LYS   6  -0.434   7.019   5.312
   44    HB3  LYS   6           3HB      LYS   6  -0.922   6.874   6.995
   45    HG2  LYS   6           2HG      LYS   6   0.761   5.500   7.469
   46    HG3  LYS   6           3HG      LYS   6   0.469   4.512   6.036
   47    HD2  LYS   6           2HD      LYS   6   2.065   5.556   4.853
   48    HD3  LYS   6           3HD      LYS   6   1.595   7.149   5.450
   49    HE2  LYS   6           2HE      LYS   6   2.823   6.801   7.490
   50    HE3  LYS   6           3HE      LYS   6   3.174   5.133   7.041
   51    HZ1  LYS   6           3HZ      LYS   6   4.852   7.145   6.617
   52    HZ2  LYS   6           1HZ      LYS   6   4.018   7.166   5.145
   53    HZ3  LYS   6           2HZ      LYS   6   4.810   5.759   5.649
   54    H    ARG   7           H        ARG   7  -2.375   7.920   5.397
   55    HA   ARG   7           HA       ARG   7  -4.858   7.877   6.892
   56    HB2  ARG   7           2HB      ARG   7  -3.027   9.955   5.839
   57    HB3  ARG   7           3HB      ARG   7  -4.726  10.398   5.949
   58    HG2  ARG   7           2HG      ARG   7  -3.939  11.079   7.992
   59    HG3  ARG   7           3HG      ARG   7  -4.528   9.459   8.370
   60    HD2  ARG   7           2HD      ARG   7  -1.957   8.969   7.579
   61    HD3  ARG   7           3HD      ARG   7  -1.804  10.528   8.389
   62    HE   ARG   7           HE       ARG   7  -3.318   8.871  10.035
   63   HH11  ARG   7          1HH1      ARG   7  -0.084   9.040   8.759
   64   HH12  ARG   7          2HH1      ARG   7   0.632   8.225  10.110
   65   HH21  ARG   7          1HH2      ARG   7  -2.388   7.796  11.819
   66   HH22  ARG   7          2HH2      ARG   7  -0.680   7.517  11.850
   67    H    LYS   8           H        LYS   8  -4.206   9.603   3.867
   68    HA   LYS   8           HA       LYS   8  -6.877   9.133   2.937
   69    HB2  LYS   8           2HB      LYS   8  -4.524  10.312   1.449
   70    HB3  LYS   8           3HB      LYS   8  -6.216  10.433   0.986
   71    HG2  LYS   8           2HG      LYS   8  -5.185  11.511   3.591
   72    HG3  LYS   8           3HG      LYS   8  -5.180  12.457   2.101
   73    HD2  LYS   8           2HD      LYS   8  -7.551  12.356   1.933
   74    HD3  LYS   8           3HD      LYS   8  -7.653  11.146   3.214
   75    HE2  LYS   8           2HE      LYS   8  -8.152  12.952   4.477
   76    HE3  LYS   8           3HE      LYS   8  -6.397  13.106   4.547
   77    HZ1  LYS   8           3HZ      LYS   8  -8.172  14.989   3.636
   78    HZ2  LYS   8           1HZ      LYS   8  -7.461  14.371   2.230
   79    HZ3  LYS   8           2HZ      LYS   8  -6.490  15.019   3.454
   80    H    CYS   9           H        CYS   9  -6.093   6.671   3.274
   81    HA   CYS   9           HA       CYS   9  -4.594   5.255   1.523
   82    HB2  CYS   9           2HB      CYS   9  -7.329   4.567   2.606
   83    HB3  CYS   9           3HB      CYS   9  -6.319   3.417   1.739
   84    HG   CYS   9           HG       CYS   9  -4.435   4.665   4.052
   85    HA   PRO  10           HA       PRO  10  -6.531   6.613  -2.330
   86    HB2  PRO  10           2HB      PRO  10  -4.459   5.825  -3.897
   87    HB3  PRO  10           3HB      PRO  10  -4.459   7.347  -2.999
   88    HG2  PRO  10           2HG      PRO  10  -3.166   4.739  -2.304
   89    HG3  PRO  10           3HG      PRO  10  -2.517   6.383  -2.160
   90    HD2  PRO  10           2HD      PRO  10  -3.523   5.024  -0.045
   91    HD3  PRO  10           3HD      PRO  10  -3.640   6.789  -0.189
   92    H    LEU  11           H        LEU  11  -4.882   3.519  -1.773
   93    HA   LEU  11           HA       LEU  11  -6.925   2.223  -3.455
   94    HB2  LEU  11           2HB      LEU  11  -4.932   2.008  -4.666
   95    HB3  LEU  11           3HB      LEU  11  -3.984   1.689  -3.215
   96    HG   LEU  11           HG       LEU  11  -6.071  -0.281  -4.018
   97   HD11  LEU  11          1HD1      LEU  11  -4.128  -1.397  -5.322
   98   HD12  LEU  11          2HD1      LEU  11  -3.506   0.247  -5.458
   99   HD13  LEU  11          3HD1      LEU  11  -5.096  -0.150  -6.109
  100   HD21  LEU  11          3HD2      LEU  11  -3.396  -1.122  -3.166
  101   HD22  LEU  11          1HD2      LEU  11  -4.985  -1.639  -2.603
  102   HD23  LEU  11          2HD2      LEU  11  -4.271  -0.151  -1.981
  103    H    PHE  12           H        PHE  12  -4.889   2.022  -0.596
  104    HA   PHE  12           HA       PHE  12  -5.298  -0.421   0.433
  105    HB2  PHE  12           2HB      PHE  12  -4.526   2.003   1.487
  106    HB3  PHE  12           3HB      PHE  12  -5.966   1.622   2.426
  107    HD1  PHE  12           HD2      PHE  12  -5.546  -1.441   2.223
  108    HD2  PHE  12           HD1      PHE  12  -3.009   1.794   3.323
  109    HE1  PHE  12           HE2      PHE  12  -4.223  -2.963   3.632
  110    HE2  PHE  12           HE1      PHE  12  -1.680   0.277   4.733
  111    HZ   PHE  12           HZ       PHE  12  -2.287  -2.104   4.890
  112    H    GLY  13           H        GLY  13  -7.627   2.232   0.987
  113    HA2  GLY  13           2HA      GLY  13  -9.724   0.165   1.251
  114    HA3  GLY  13           3HA      GLY  13  -9.693   1.626   2.227
  115    H    LYS  14           H        LYS  14  -9.003   1.407  -1.224
  116    HA   LYS  14           HA       LYS  14 -10.341   3.598  -2.076
  117    HB2  LYS  14           2HB      LYS  14 -10.696   2.367  -4.259
  118    HB3  LYS  14           3HB      LYS  14  -9.046   2.384  -3.651
  119    HG2  LYS  14           2HG      LYS  14  -9.417   0.115  -2.725
  120    HG3  LYS  14           3HG      LYS  14 -11.008   0.107  -3.489
  121    HD2  LYS  14           2HD      LYS  14 -10.110   0.069  -5.639
  122    HD3  LYS  14           3HD      LYS  14  -8.537   0.657  -5.094
  123    HE2  LYS  14           2HE      LYS  14  -7.959  -1.514  -5.297
  124    HE3  LYS  14           3HE      LYS  14  -8.693  -1.642  -3.700
  125    HZ1  LYS  14           3HZ      LYS  14  -9.978  -3.191  -4.619
  126    HZ2  LYS  14           1HZ      LYS  14  -9.556  -2.753  -6.198
  127    HZ3  LYS  14           2HZ      LYS  14 -10.795  -1.929  -5.394
  128    H    GLY  15           H        GLY  15 -11.763   0.426  -1.436
  129    HA2  GLY  15           2HA      GLY  15 -14.414   1.401  -2.171
  130    HA3  GLY  15           3HA      GLY  15 -13.998  -0.247  -1.725
  131    H    GLY  16           H        GLY  16 -13.626  -0.711   0.546
  132    HA2  GLY  16           2HA      GLY  16 -15.283   1.034   2.245
  133    HA3  GLY  16           3HA      GLY  16 -15.029  -0.685   2.504
  Start of MODEL   13
    1    H1   VAL   1           H        VAL   1   1.937  -0.582   1.634
    2    HA   VAL   1           HA       VAL   1   2.972  -1.294  -0.335
    3    HB   VAL   1           HB       VAL   1   0.957   0.432  -1.781
    4   HG11  VAL   1          1HG1      VAL   1   2.170  -1.615  -3.376
    5   HG12  VAL   1          2HG1      VAL   1   2.154   0.132  -3.627
    6   HG13  VAL   1          3HG1      VAL   1   3.421  -0.608  -2.647
    7   HG21  VAL   1          3HG2      VAL   1   0.070  -1.604  -0.569
    8   HG22  VAL   1          1HG2      VAL   1  -0.235  -1.544  -2.305
    9   HG23  VAL   1          2HG2      VAL   1   1.048  -2.575  -1.670
   10    H    ALA   2           H        ALA   2   1.864   2.086  -0.264
   11    HA   ALA   2           HA       ALA   2   4.652   2.910  -0.756
   12    HB1  ALA   2           1HB      ALA   2   2.119   4.282  -1.645
   13    HB2  ALA   2           2HB      ALA   2   3.744   4.944  -1.823
   14    HB3  ALA   2           3HB      ALA   2   3.296   3.465  -2.673
   15    H    ARG   3           H        ARG   3   2.620   5.512  -0.260
   16    HA   ARG   3           HA       ARG   3   3.280   5.611   2.610
   17    HB2  ARG   3           2HB      ARG   3   3.653   8.000   2.409
   18    HB3  ARG   3           3HB      ARG   3   4.691   7.140   1.280
   19    HG2  ARG   3           2HG      ARG   3   2.527   7.627  -0.277
   20    HG3  ARG   3           3HG      ARG   3   2.522   9.043   0.776
   21    HD2  ARG   3           2HD      ARG   3   4.583   9.769   0.029
   22    HD3  ARG   3           3HD      ARG   3   5.075   8.159  -0.494
   23    HE   ARG   3           HE       ARG   3   2.871   9.157  -2.007
   24   HH11  ARG   3          1HH1      ARG   3   6.331   9.301  -1.654
   25   HH12  ARG   3          2HH1      ARG   3   6.613   9.735  -3.308
   26   HH21  ARG   3          1HH2      ARG   3   3.228   9.728  -4.186
   27   HH22  ARG   3          2HH2      ARG   3   4.847   9.979  -4.747
   28    H    GLY   4           H        GLY   4   0.978   6.350   0.079
   29    HA2  GLY   4           2HA      GLY   4  -0.890   7.747   1.703
   30    HA3  GLY   4           3HA      GLY   4  -1.225   7.007   0.144
   31    H    TRP   5           H        TRP   5   0.019   4.527   1.736
   32    HA   TRP   5           HA       TRP   5  -2.551   3.372   2.288
   33    HB2  TRP   5           2HB      TRP   5   0.278   2.395   2.342
   34    HB3  TRP   5           3HB      TRP   5  -0.972   1.454   3.150
   35    HD1  TRP   5           HD1      TRP   5  -2.127  -0.281   1.671
   36    HE1  TRP   5           HE1      TRP   5  -2.414  -0.653  -0.859
   37    HE3  TRP   5           HE3      TRP   5   0.115   3.985  -0.035
   38    HZ2  TRP   5           HZ2      TRP   5  -1.774   0.685  -3.261
   39    HZ3  TRP   5           HZ3      TRP   5   0.236   4.363  -2.463
   40    HH2  TRP   5           HH2      TRP   5  -0.689   2.746  -4.041
   41    H    LYS   6           H        LYS   6  -2.036   5.612   3.925
   42    HA   LYS   6           HA       LYS   6  -1.903   4.328   6.574
   43    HB2  LYS   6           2HB      LYS   6  -0.605   6.794   5.550
   44    HB3  LYS   6           3HB      LYS   6  -1.247   6.860   7.186
   45    HG2  LYS   6           2HG      LYS   6   0.718   6.018   7.806
   46    HG3  LYS   6           3HG      LYS   6   0.110   4.482   7.185
   47    HD2  LYS   6           2HD      LYS   6   1.103   5.005   4.991
   48    HD3  LYS   6           3HD      LYS   6   1.750   6.505   5.658
   49    HE2  LYS   6           2HE      LYS   6   3.570   5.334   6.191
   50    HE3  LYS   6           3HE      LYS   6   2.594   4.573   7.445
   51    HZ1  LYS   6           3HZ      LYS   6   2.383   3.437   4.775
   52    HZ2  LYS   6           1HZ      LYS   6   2.419   2.667   6.281
   53    HZ3  LYS   6           2HZ      LYS   6   3.857   3.202   5.570
   54    H    ARG   7           H        ARG   7  -2.727   7.645   5.656
   55    HA   ARG   7           HA       ARG   7  -5.229   7.398   7.123
   56    HB2  ARG   7           2HB      ARG   7  -3.821   9.770   5.893
   57    HB3  ARG   7           3HB      ARG   7  -5.375   9.873   6.708
   58    HG2  ARG   7           2HG      ARG   7  -4.469   9.626   8.772
   59    HG3  ARG   7           3HG      ARG   7  -3.151   8.606   8.193
   60    HD2  ARG   7           2HD      ARG   7  -2.158  10.637   7.127
   61    HD3  ARG   7           3HD      ARG   7  -3.402  11.597   7.928
   62    HE   ARG   7           HE       ARG   7  -2.259  10.223   9.964
   63   HH11  ARG   7          1HH1      ARG   7  -1.003  12.242   7.421
   64   HH12  ARG   7          2HH1      ARG   7   0.346  12.801   8.353
   65   HH21  ARG   7          1HH2      ARG   7  -0.487  10.951  11.201
   66   HH22  ARG   7          2HH2      ARG   7   0.640  12.065  10.502
   67    H    LYS   8           H        LYS   8  -4.516   9.172   4.127
   68    HA   LYS   8           HA       LYS   8  -7.147   8.659   3.108
   69    HB2  LYS   8           2HB      LYS   8  -6.437   9.962   1.175
   70    HB3  LYS   8           3HB      LYS   8  -5.976  10.777   2.664
   71    HG2  LYS   8           2HG      LYS   8  -3.973   8.986   1.418
   72    HG3  LYS   8           3HG      LYS   8  -4.322  10.515   0.608
   73    HD2  LYS   8           2HD      LYS   8  -4.063  11.410   3.115
   74    HD3  LYS   8           3HD      LYS   8  -3.016   9.992   3.216
   75    HE2  LYS   8           2HE      LYS   8  -2.660  11.691   0.832
   76    HE3  LYS   8           3HE      LYS   8  -2.196  12.420   2.369
   77    HZ1  LYS   8           3HZ      LYS   8  -0.850  10.373   2.776
   78    HZ2  LYS   8           1HZ      LYS   8  -0.299  11.338   1.500
   79    HZ3  LYS   8           2HZ      LYS   8  -1.153   9.915   1.176
   80    H    CYS   9           H        CYS   9  -6.122   6.217   3.541
   81    HA   CYS   9           HA       CYS   9  -4.608   4.857   1.782
   82    HB2  CYS   9           2HB      CYS   9  -6.384   2.975   1.996
   83    HB3  CYS   9           3HB      CYS   9  -5.574   3.547   3.450
   84    HG   CYS   9           HG       CYS   9  -8.139   3.179   4.261
   85    HA   PRO  10           HA       PRO  10  -6.675   6.058  -2.060
   86    HB2  PRO  10           2HB      PRO  10  -4.571   5.398  -3.644
   87    HB3  PRO  10           3HB      PRO  10  -4.666   6.926  -2.759
   88    HG2  PRO  10           2HG      PRO  10  -3.189   4.418  -2.057
   89    HG3  PRO  10           3HG      PRO  10  -2.652   6.104  -1.935
   90    HD2  PRO  10           2HD      PRO  10  -3.539   4.700   0.203
   91    HD3  PRO  10           3HD      PRO  10  -3.779   6.451   0.045
   92    H    LEU  11           H        LEU  11  -4.866   3.079  -1.426
   93    HA   LEU  11           HA       LEU  11  -6.793   1.639  -3.128
   94    HB2  LEU  11           2HB      LEU  11  -4.719   1.556  -4.260
   95    HB3  LEU  11           3HB      LEU  11  -3.840   1.208  -2.773
   96    HG   LEU  11           HG       LEU  11  -5.851  -0.766  -3.749
   97   HD11  LEU  11          1HD1      LEU  11  -4.771  -0.619  -5.768
   98   HD12  LEU  11          2HD1      LEU  11  -3.764  -1.804  -4.937
   99   HD13  LEU  11          3HD1      LEU  11  -3.243  -0.122  -5.041
  100   HD21  LEU  11          3HD2      LEU  11  -3.228  -1.611  -2.765
  101   HD22  LEU  11          1HD2      LEU  11  -4.843  -2.142  -2.298
  102   HD23  LEU  11          2HD2      LEU  11  -4.166  -0.668  -1.606
  103    H    PHE  12           H        PHE  12  -4.856   1.642  -0.203
  104    HA   PHE  12           HA       PHE  12  -5.162  -0.816   0.862
  105    HB2  PHE  12           2HB      PHE  12  -4.495   1.653   1.874
  106    HB3  PHE  12           3HB      PHE  12  -5.938   1.245   2.796
  107    HD1  PHE  12           HD1      PHE  12  -5.443  -1.794   2.710
  108    HD2  PHE  12           HD2      PHE  12  -2.976   1.528   3.705
  109    HE1  PHE  12           HE1      PHE  12  -4.096  -3.238   4.178
  110    HE2  PHE  12           HE2      PHE  12  -1.624   0.089   5.173
  111    HZ   PHE  12           HZ       PHE  12  -2.183  -2.297   5.411
  112    H    GLY  13           H        GLY  13  -7.613   1.756   1.223
  113    HA2  GLY  13           2HA      GLY  13  -9.623  -0.383   1.578
  114    HA3  GLY  13           3HA      GLY  13  -9.681   1.136   2.459
  115    H    LYS  14           H        LYS  14  -8.998   0.561  -0.973
  116    HA   LYS  14           HA       LYS  14 -10.264   2.663  -2.079
  117    HB2  LYS  14           2HB      LYS  14  -9.402   0.111  -2.992
  118    HB3  LYS  14           3HB      LYS  14 -10.990   0.414  -3.685
  119    HG2  LYS  14           2HG      LYS  14  -8.529   2.124  -3.941
  120    HG3  LYS  14           3HG      LYS  14  -9.344   1.209  -5.212
  121    HD2  LYS  14           2HD      LYS  14 -11.386   2.653  -4.710
  122    HD3  LYS  14           3HD      LYS  14 -10.289   3.684  -3.787
  123    HE2  LYS  14           2HE      LYS  14  -9.055   4.265  -5.690
  124    HE3  LYS  14           3HE      LYS  14  -9.701   2.920  -6.629
  125    HZ1  LYS  14           3HZ      LYS  14 -10.582   5.386  -6.897
  126    HZ2  LYS  14           1HZ      LYS  14 -11.614   4.892  -5.650
  127    HZ3  LYS  14           2HZ      LYS  14 -11.588   4.043  -7.112
  128    H    GLY  15           H        GLY  15 -11.951  -0.481  -1.945
  129    HA2  GLY  15           2HA      GLY  15 -14.506   0.908  -2.046
  130    HA3  GLY  15           3HA      GLY  15 -14.256  -0.827  -2.160
  131    H    GLY  16           H        GLY  16 -14.574  -2.061  -0.394
  132    HA2  GLY  16           2HA      GLY  16 -14.119  -1.729   2.205
  133    HA3  GLY  16           3HA      GLY  16 -15.533  -0.706   2.001
  Start of MODEL   14
    1    H1   VAL   1           H        VAL   1   1.633   0.483   0.856
    2    HA   VAL   1           HA       VAL   1   2.744  -1.335  -0.945
    3    HB   VAL   1           HB       VAL   1   0.759   0.519  -2.270
    4   HG11  VAL   1          1HG1      VAL   1   1.827  -1.595  -3.911
    5   HG12  VAL   1          2HG1      VAL   1   1.822   0.148  -4.188
    6   HG13  VAL   1          3HG1      VAL   1   3.122  -0.594  -3.256
    7   HG21  VAL   1          3HG2      VAL   1   0.685  -2.491  -2.150
    8   HG22  VAL   1          1HG2      VAL   1  -0.238  -1.444  -1.072
    9   HG23  VAL   1          2HG2      VAL   1  -0.540  -1.407  -2.809
   10    H    ALA   2           H        ALA   2   1.773   2.078  -0.697
   11    HA   ALA   2           HA       ALA   2   4.563   2.818  -1.303
   12    HB1  ALA   2           1HB      ALA   2   3.127   3.501  -3.120
   13    HB2  ALA   2           2HB      ALA   2   2.045   4.324  -1.996
   14    HB3  ALA   2           3HB      ALA   2   3.685   4.924  -2.240
   15    H    ARG   3           H        ARG   3   2.685   5.479  -0.600
   16    HA   ARG   3           HA       ARG   3   3.477   5.423   2.238
   17    HB2  ARG   3           2HB      ARG   3   3.564   7.738   0.298
   18    HB3  ARG   3           3HB      ARG   3   3.782   7.904   2.035
   19    HG2  ARG   3           2HG      ARG   3   5.931   7.430   1.836
   20    HG3  ARG   3           3HG      ARG   3   5.545   5.881   1.084
   21    HD2  ARG   3           2HD      ARG   3   6.983   7.275  -0.340
   22    HD3  ARG   3           3HD      ARG   3   5.426   6.933  -1.094
   23    HE   ARG   3           HE       ARG   3   5.302   9.383   0.299
   24   HH11  ARG   3          1HH1      ARG   3   6.669   7.949  -2.564
   25   HH12  ARG   3          2HH1      ARG   3   6.695   9.435  -3.454
   26   HH21  ARG   3          1HH2      ARG   3   5.331  11.345  -0.862
   27   HH22  ARG   3          2HH2      ARG   3   5.935  11.367  -2.485
   28    H    GLY   4           H        GLY   4   1.095   6.343  -0.148
   29    HA2  GLY   4           2HA      GLY   4  -0.624   7.770   1.619
   30    HA3  GLY   4           3HA      GLY   4  -1.063   7.120   0.046
   31    H    TRP   5           H        TRP   5   0.135   4.520   1.492
   32    HA   TRP   5           HA       TRP   5  -2.459   3.444   2.079
   33    HB2  TRP   5           2HB      TRP   5   0.332   2.369   2.017
   34    HB3  TRP   5           3HB      TRP   5  -0.918   1.449   2.850
   35    HD1  TRP   5           HD1      TRP   5  -2.154  -0.228   1.373
   36    HE1  TRP   5           HE1      TRP   5  -2.559  -0.521  -1.152
   37    HE3  TRP   5           HE3      TRP   5   0.091   4.045  -0.309
   38    HZ2  TRP   5           HZ2      TRP   5  -2.001   0.875  -3.541
   39    HZ3  TRP   5           HZ3      TRP   5   0.113   4.492  -2.729
   40    HH2  TRP   5           HH2      TRP   5  -0.911   2.939  -4.310
   41    H    LYS   6           H        LYS   6  -1.764   5.619   3.774
   42    HA   LYS   6           HA       LYS   6  -1.670   4.240   6.377
   43    HB2  LYS   6           2HB      LYS   6  -0.229   6.652   5.412
   44    HB3  LYS   6           3HB      LYS   6  -0.824   6.689   7.066
   45    HG2  LYS   6           2HG      LYS   6   1.098   5.697   7.593
   46    HG3  LYS   6           3HG      LYS   6   0.369   4.231   6.933
   47    HD2  LYS   6           2HD      LYS   6   1.303   4.912   4.694
   48    HD3  LYS   6           3HD      LYS   6   2.205   6.172   5.539
   49    HE2  LYS   6           2HE      LYS   6   3.311   4.476   6.900
   50    HE3  LYS   6           3HE      LYS   6   2.387   3.210   6.091
   51    HZ1  LYS   6           3HZ      LYS   6   3.492   3.642   4.062
   52    HZ2  LYS   6           1HZ      LYS   6   4.698   3.556   5.246
   53    HZ3  LYS   6           2HZ      LYS   6   4.202   5.060   4.651
   54    H    ARG   7           H        ARG   7  -2.273   7.637   5.596
   55    HA   ARG   7           HA       ARG   7  -4.754   7.519   7.109
   56    HB2  ARG   7           2HB      ARG   7  -3.004   9.713   6.072
   57    HB3  ARG   7           3HB      ARG   7  -4.679  10.069   6.472
   58    HG2  ARG   7           2HG      ARG   7  -4.367   9.541   8.735
   59    HG3  ARG   7           3HG      ARG   7  -2.837   8.720   8.417
   60    HD2  ARG   7           2HD      ARG   7  -1.694  10.726   8.082
   61    HD3  ARG   7           3HD      ARG   7  -3.180  11.635   7.813
   62    HE   ARG   7           HE       ARG   7  -1.943  11.043  10.337
   63   HH11  ARG   7          1HH1      ARG   7  -4.932  11.819   8.729
   64   HH12  ARG   7          2HH1      ARG   7  -5.674  12.483  10.146
   65   HH21  ARG   7          1HH2      ARG   7  -2.909  11.915  12.210
   66   HH22  ARG   7          2HH2      ARG   7  -4.522  12.538  12.126
   67    H    LYS   8           H        LYS   8  -3.998   9.318   4.139
   68    HA   LYS   8           HA       LYS   8  -6.681   9.017   3.177
   69    HB2  LYS   8           2HB      LYS   8  -5.923  10.301   1.249
   70    HB3  LYS   8           3HB      LYS   8  -5.370  11.051   2.741
   71    HG2  LYS   8           2HG      LYS   8  -3.534   9.145   1.411
   72    HG3  LYS   8           3HG      LYS   8  -3.785  10.715   0.645
   73    HD2  LYS   8           2HD      LYS   8  -3.406  11.523   3.169
   74    HD3  LYS   8           3HD      LYS   8  -2.459  10.033   3.204
   75    HE2  LYS   8           2HE      LYS   8  -0.798  11.247   2.336
   76    HE3  LYS   8           3HE      LYS   8  -1.707  11.197   0.826
   77    HZ1  LYS   8           3HZ      LYS   8  -0.952  13.457   1.839
   78    HZ2  LYS   8           1HZ      LYS   8  -2.338  13.281   2.794
   79    HZ3  LYS   8           2HZ      LYS   8  -2.471  13.319   1.108
   80    H    CYS   9           H        CYS   9  -5.853   6.497   3.532
   81    HA   CYS   9           HA       CYS   9  -4.483   5.059   1.718
   82    HB2  CYS   9           2HB      CYS   9  -7.200   4.433   2.879
   83    HB3  CYS   9           3HB      CYS   9  -6.248   3.264   1.972
   84    HG   CYS   9           HG       CYS   9  -6.135   2.891   4.829
   85    HA   PRO  10           HA       PRO  10  -6.515   6.511  -2.057
   86    HB2  PRO  10           2HB      PRO  10  -4.493   5.736  -3.693
   87    HB3  PRO  10           3HB      PRO  10  -4.458   7.244  -2.772
   88    HG2  PRO  10           2HG      PRO  10  -3.163   4.617  -2.155
   89    HG3  PRO  10           3HG      PRO  10  -2.499   6.254  -2.004
   90    HD2  PRO  10           2HD      PRO  10  -3.454   4.868   0.117
   91    HD3  PRO  10           3HD      PRO  10  -3.564   6.636   0.004
   92    H    LEU  11           H        LEU  11  -4.886   3.396  -1.575
   93    HA   LEU  11           HA       LEU  11  -6.971   2.141  -3.236
   94    HB2  LEU  11           2HB      LEU  11  -4.994   1.927  -4.480
   95    HB3  LEU  11           3HB      LEU  11  -4.034   1.564  -3.047
   96    HG   LEU  11           HG       LEU  11  -6.165  -0.352  -3.870
   97   HD11  LEU  11          1HD1      LEU  11  -4.221  -1.473  -5.194
   98   HD12  LEU  11          2HD1      LEU  11  -3.614   0.177  -5.327
   99   HD13  LEU  11          3HD1      LEU  11  -5.209  -0.229  -5.961
  100   HD21  LEU  11          3HD2      LEU  11  -4.330  -0.290  -1.849
  101   HD22  LEU  11          1HD2      LEU  11  -3.513  -1.279  -3.058
  102   HD23  LEU  11          2HD2      LEU  11  -5.109  -1.745  -2.471
  103    H    PHE  12           H        PHE  12  -4.882   1.879  -0.420
  104    HA   PHE  12           HA       PHE  12  -5.306  -0.571   0.588
  105    HB2  PHE  12           2HB      PHE  12  -4.480   1.830   1.655
  106    HB3  PHE  12           3HB      PHE  12  -5.903   1.453   2.621
  107    HD1  PHE  12           HD1      PHE  12  -5.531  -1.609   2.372
  108    HD2  PHE  12           HD2      PHE  12  -2.920   1.576   3.449
  109    HE1  PHE  12           HE1      PHE  12  -4.195  -3.167   3.730
  110    HE2  PHE  12           HE2      PHE  12  -1.580   0.023   4.808
  111    HZ   PHE  12           HZ       PHE  12  -2.217  -2.352   4.949
  112    H    GLY  13           H        GLY  13  -7.583   2.109   1.225
  113    HA2  GLY  13           2HA      GLY  13  -9.704   0.069   1.508
  114    HA3  GLY  13           3HA      GLY  13  -9.632   1.520   2.498
  115    H    LYS  14           H        LYS  14  -9.016   1.328  -0.969
  116    HA   LYS  14           HA       LYS  14 -10.343   3.547  -1.768
  117    HB2  LYS  14           2HB      LYS  14 -10.669   2.448  -3.969
  118    HB3  LYS  14           3HB      LYS  14  -9.048   2.230  -3.325
  119    HG2  LYS  14           2HG      LYS  14  -9.387   0.093  -3.916
  120    HG3  LYS  14           3HG      LYS  14 -10.237   0.011  -2.371
  121    HD2  LYS  14           2HD      LYS  14 -12.031  -0.659  -3.511
  122    HD3  LYS  14           3HD      LYS  14 -12.132   0.979  -4.161
  123    HE2  LYS  14           2HE      LYS  14 -10.245  -0.888  -5.477
  124    HE3  LYS  14           3HE      LYS  14 -11.966  -1.190  -5.712
  125    HZ1  LYS  14           3HZ      LYS  14 -11.788   1.461  -6.133
  126    HZ2  LYS  14           1HZ      LYS  14 -11.760   0.290  -7.355
  127    HZ3  LYS  14           2HZ      LYS  14 -10.310   0.926  -6.760
  128    H    GLY  15           H        GLY  15 -11.787   0.384  -1.137
  129    HA2  GLY  15           2HA      GLY  15 -14.449   1.611  -1.500
  130    HA3  GLY  15           3HA      GLY  15 -14.110  -0.098  -1.729
  131    H    GLY  16           H        GLY  16 -14.286  -1.466  -0.032
  132    HA2  GLY  16           2HA      GLY  16 -13.892  -1.011   2.636
  133    HA3  GLY  16           3HA      GLY  16 -15.539  -0.470   2.350
  Start of MODEL   15
    1    H1   VAL   1           H        VAL   1   1.389   0.142   1.432
    2    HA   VAL   1           HA       VAL   1   2.952  -1.228   0.268
    3    HB   VAL   1           HB       VAL   1   2.813  -1.412  -2.209
    4   HG11  VAL   1          1HG1      VAL   1   0.370  -2.301  -0.680
    5   HG12  VAL   1          2HG1      VAL   1   0.888  -2.946  -2.239
    6   HG13  VAL   1          3HG1      VAL   1   1.899  -3.169  -0.811
    7   HG21  VAL   1          3HG2      VAL   1   1.534   0.006  -3.346
    8   HG22  VAL   1          1HG2      VAL   1   0.108  -0.750  -2.634
    9   HG23  VAL   1          2HG2      VAL   1   0.853   0.642  -1.848
   10    H    ALA   2           H        ALA   2   1.748   1.913  -0.674
   11    HA   ALA   2           HA       ALA   2   4.486   2.745  -1.370
   12    HB1  ALA   2           1HB      ALA   2   2.906   3.067  -3.182
   13    HB2  ALA   2           2HB      ALA   2   1.855   4.010  -2.125
   14    HB3  ALA   2           3HB      ALA   2   3.448   4.626  -2.562
   15    H    ARG   3           H        ARG   3   2.483   5.370  -0.955
   16    HA   ARG   3           HA       ARG   3   3.375   5.755   1.828
   17    HB2  ARG   3           2HB      ARG   3   3.190   7.856  -0.339
   18    HB3  ARG   3           3HB      ARG   3   3.664   8.141   1.330
   19    HG2  ARG   3           2HG      ARG   3   5.730   7.206   1.052
   20    HG3  ARG   3           3HG      ARG   3   5.196   6.148  -0.255
   21    HD2  ARG   3           2HD      ARG   3   4.814   8.535  -1.421
   22    HD3  ARG   3           3HD      ARG   3   6.140   8.947  -0.335
   23    HE   ARG   3           HE       ARG   3   6.283   7.337  -2.695
   24   HH11  ARG   3          1HH1      ARG   3   7.701   7.902   0.434
   25   HH12  ARG   3          2HH1      ARG   3   9.248   7.258  -0.007
   26   HH21  ARG   3          1HH2      ARG   3   8.315   6.486  -3.287
   27   HH22  ARG   3          2HH2      ARG   3   9.597   6.454  -2.124
   28    H    GLY   4           H        GLY   4   0.899   6.346  -0.595
   29    HA2  GLY   4           2HA      GLY   4  -0.836   7.850   1.088
   30    HA3  GLY   4           3HA      GLY   4  -1.281   7.062  -0.418
   31    H    TRP   5           H        TRP   5   0.021   4.615   1.177
   32    HA   TRP   5           HA       TRP   5  -2.524   3.522   1.925
   33    HB2  TRP   5           2HB      TRP   5   0.291   2.512   1.850
   34    HB3  TRP   5           3HB      TRP   5  -0.911   1.622   2.781
   35    HD1  TRP   5           HD1      TRP   5  -2.155  -0.176   1.459
   36    HE1  TRP   5           HE1      TRP   5  -2.619  -0.653  -1.027
   37    HE3  TRP   5           HE3      TRP   5  -0.044   4.011  -0.578
   38    HZ2  TRP   5           HZ2      TRP   5  -2.151   0.581  -3.522
   39    HZ3  TRP   5           HZ3      TRP   5  -0.094   4.286  -3.023
   40    HH2  TRP   5           HH2      TRP   5  -1.125   2.606  -4.463
   41    H    LYS   6           H        LYS   6  -1.790   5.836   3.436
   42    HA   LYS   6           HA       LYS   6  -1.608   4.645   6.126
   43    HB2  LYS   6           2HB      LYS   6  -0.313   7.099   4.998
   44    HB3  LYS   6           3HB      LYS   6  -0.714   7.042   6.710
   45    HG2  LYS   6           2HG      LYS   6   0.946   5.610   7.183
   46    HG3  LYS   6           3HG      LYS   6   0.713   4.685   5.698
   47    HD2  LYS   6           2HD      LYS   6   2.347   5.790   4.654
   48    HD3  LYS   6           3HD      LYS   6   1.713   7.355   5.166
   49    HE2  LYS   6           2HE      LYS   6   3.111   7.487   6.933
   50    HE3  LYS   6           3HE      LYS   6   3.012   5.760   7.273
   51    HZ1  LYS   6           3HZ      LYS   6   5.232   6.580   6.506
   52    HZ2  LYS   6           1HZ      LYS   6   4.541   6.871   4.990
   53    HZ3  LYS   6           2HZ      LYS   6   4.599   5.297   5.604
   54    H    ARG   7           H        ARG   7  -2.271   7.971   5.116
   55    HA   ARG   7           HA       ARG   7  -4.678   7.971   6.737
   56    HB2  ARG   7           2HB      ARG   7  -2.910  10.012   5.534
   57    HB3  ARG   7           3HB      ARG   7  -4.610  10.447   5.646
   58    HG2  ARG   7           2HG      ARG   7  -3.411  11.235   7.588
   59    HG3  ARG   7           3HG      ARG   7  -4.561   9.979   8.052
   60    HD2  ARG   7           2HD      ARG   7  -2.744   8.333   8.064
   61    HD3  ARG   7           3HD      ARG   7  -1.601   9.598   7.617
   62    HE   ARG   7           HE       ARG   7  -2.979  10.328   9.969
   63   HH11  ARG   7          1HH1      ARG   7  -0.526   8.143   8.817
   64   HH12  ARG   7          2HH1      ARG   7   0.290   8.048  10.342
   65   HH21  ARG   7          1HH2      ARG   7  -1.913  10.211  11.982
   66   HH22  ARG   7          2HH2      ARG   7  -0.500   9.224  12.142
   67    H    LYS   8           H        LYS   8  -4.174   9.543   3.601
   68    HA   LYS   8           HA       LYS   8  -6.880   9.015   2.816
   69    HB2  LYS   8           2HB      LYS   8  -4.675  10.038   1.033
   70    HB3  LYS   8           3HB      LYS   8  -6.406  10.301   0.871
   71    HG2  LYS   8           2HG      LYS   8  -4.796  11.341   3.187
   72    HG3  LYS   8           3HG      LYS   8  -5.075  12.259   1.705
   73    HD2  LYS   8           2HD      LYS   8  -7.427  12.289   2.072
   74    HD3  LYS   8           3HD      LYS   8  -7.300  11.118   3.386
   75    HE2  LYS   8           2HE      LYS   8  -6.732  12.688   4.891
   76    HE3  LYS   8           3HE      LYS   8  -5.688  13.540   3.754
   77    HZ1  LYS   8           3HZ      LYS   8  -7.702  14.788   4.518
   78    HZ2  LYS   8           1HZ      LYS   8  -8.646  13.687   3.646
   79    HZ3  LYS   8           2HZ      LYS   8  -7.530  14.670   2.840
   80    H    CYS   9           H        CYS   9  -6.038   6.577   3.261
   81    HA   CYS   9           HA       CYS   9  -4.622   5.073   1.520
   82    HB2  CYS   9           2HB      CYS   9  -7.296   4.432   2.769
   83    HB3  CYS   9           3HB      CYS   9  -6.318   3.240   1.921
   84    HG   CYS   9           HG       CYS   9  -6.266   3.575   4.980
   85    HA   PRO  10           HA       PRO  10  -6.756   6.205  -2.303
   86    HB2  PRO  10           2HB      PRO  10  -4.750   5.356  -3.923
   87    HB3  PRO  10           3HB      PRO  10  -4.729   6.925  -3.109
   88    HG2  PRO  10           2HG      PRO  10  -3.368   4.372  -2.338
   89    HG3  PRO  10           3HG      PRO  10  -2.736   6.029  -2.314
   90    HD2  PRO  10           2HD      PRO  10  -3.622   4.775  -0.084
   91    HD3  PRO  10           3HD      PRO  10  -3.770   6.529  -0.316
   92    H    LEU  11           H        LEU  11  -5.042   3.164  -1.659
   93    HA   LEU  11           HA       LEU  11  -7.144   1.756  -3.169
   94    HB2  LEU  11           2HB      LEU  11  -5.205   1.502  -4.461
   95    HB3  LEU  11           3HB      LEU  11  -4.188   1.265  -3.042
   96    HG   LEU  11           HG       LEU  11  -6.289  -0.760  -3.653
   97   HD11  LEU  11          1HD1      LEU  11  -4.385  -1.923  -4.978
   98   HD12  LEU  11          2HD1      LEU  11  -3.795  -0.280  -5.228
   99   HD13  LEU  11          3HD1      LEU  11  -5.406  -0.733  -5.785
  100   HD21  LEU  11          3HD2      LEU  11  -3.574  -1.539  -2.875
  101   HD22  LEU  11          1HD2      LEU  11  -5.134  -2.034  -2.216
  102   HD23  LEU  11          2HD2      LEU  11  -4.403  -0.513  -1.704
  103    H    PHE  12           H        PHE  12  -4.974   1.737  -0.405
  104    HA   PHE  12           HA       PHE  12  -5.295  -0.651   0.773
  105    HB2  PHE  12           2HB      PHE  12  -4.513   1.835   1.657
  106    HB3  PHE  12           3HB      PHE  12  -5.902   1.489   2.681
  107    HD1  PHE  12           HD1      PHE  12  -5.446  -1.575   2.623
  108    HD2  PHE  12           HD2      PHE  12  -2.912   1.747   3.433
  109    HE1  PHE  12           HE1      PHE  12  -4.038  -3.002   4.050
  110    HE2  PHE  12           HE2      PHE  12  -1.499   0.326   4.860
  111    HZ   PHE  12           HZ       PHE  12  -2.061  -2.052   5.170
  112    H    GLY  13           H        GLY  13  -7.638   1.996   1.293
  113    HA2  GLY  13           2HA      GLY  13  -9.686  -0.081   1.771
  114    HA3  GLY  13           3HA      GLY  13  -9.634   1.435   2.659
  115    H    LYS  14           H        LYS  14  -9.101   1.026  -0.803
  116    HA   LYS  14           HA       LYS  14 -10.506   3.143  -1.721
  117    HB2  LYS  14           2HB      LYS  14  -9.188   1.375  -3.037
  118    HB3  LYS  14           3HB      LYS  14 -10.703   0.486  -3.126
  119    HG2  LYS  14           2HG      LYS  14 -11.469   1.776  -4.764
  120    HG3  LYS  14           3HG      LYS  14 -11.025   3.256  -3.911
  121    HD2  LYS  14           2HD      LYS  14  -9.570   3.483  -5.624
  122    HD3  LYS  14           3HD      LYS  14  -8.584   2.384  -4.657
  123    HE2  LYS  14           2HE      LYS  14 -10.209   0.673  -6.063
  124    HE3  LYS  14           3HE      LYS  14  -9.902   1.960  -7.227
  125    HZ1  LYS  14           3HZ      LYS  14  -7.796   1.318  -7.474
  126    HZ2  LYS  14           1HZ      LYS  14  -8.251  -0.125  -6.716
  127    HZ3  LYS  14           2HZ      LYS  14  -7.548   1.120  -5.813
  128    H    GLY  15           H        GLY  15 -11.979  -0.109  -1.783
  129    HA2  GLY  15           2HA      GLY  15 -14.623   1.042  -1.888
  130    HA3  GLY  15           3HA      GLY  15 -14.228  -0.670  -1.878
  131    H    GLY  16           H        GLY  16 -13.635  -1.638   0.200
  132    HA2  GLY  16           2HA      GLY  16 -13.571  -0.850   2.688
  133    HA3  GLY  16           3HA      GLY  16 -15.246  -0.446   2.342
  Start of MODEL   16
    1    H1   VAL   1           H        VAL   1   0.575  -0.631   0.303
    2    HA   VAL   1           HA       VAL   1   2.829  -1.731  -0.914
    3    HB   VAL   1           HB       VAL   1   0.834   0.171  -2.152
    4   HG11  VAL   1          1HG1      VAL   1   1.477  -0.805  -4.270
    5   HG12  VAL   1          2HG1      VAL   1   2.899  -0.137  -3.467
    6   HG13  VAL   1          3HG1      VAL   1   2.618  -1.878  -3.461
    7   HG21  VAL   1          3HG2      VAL   1  -0.671  -1.472  -2.156
    8   HG22  VAL   1          1HG2      VAL   1   0.504  -2.632  -2.777
    9   HG23  VAL   1          2HG2      VAL   1   0.384  -2.341  -1.042
   10    H    ALA   2           H        ALA   2   1.875   1.692  -0.658
   11    HA   ALA   2           HA       ALA   2   4.686   2.412  -1.181
   12    HB1  ALA   2           1HB      ALA   2   3.850   4.520  -2.155
   13    HB2  ALA   2           2HB      ALA   2   3.313   3.096  -3.046
   14    HB3  ALA   2           3HB      ALA   2   2.199   3.929  -1.961
   15    H    ARG   3           H        ARG   3   2.795   5.085  -0.549
   16    HA   ARG   3           HA       ARG   3   3.504   5.042   2.311
   17    HB2  ARG   3           2HB      ARG   3   3.846   7.507   2.120
   18    HB3  ARG   3           3HB      ARG   3   5.004   6.555   1.201
   19    HG2  ARG   3           2HG      ARG   3   4.521   7.868  -0.522
   20    HG3  ARG   3           3HG      ARG   3   2.972   7.027  -0.606
   21    HD2  ARG   3           2HD      ARG   3   1.970   8.694   0.856
   22    HD3  ARG   3           3HD      ARG   3   3.523   9.516   1.006
   23    HE   ARG   3           HE       ARG   3   1.658   9.771  -1.127
   24   HH11  ARG   3          1HH1      ARG   3   5.060   9.772  -0.389
   25   HH12  ARG   3          2HH1      ARG   3   5.485  10.774  -1.738
   26   HH21  ARG   3          1HH2      ARG   3   2.205  11.090  -2.906
   27   HH22  ARG   3          2HH2      ARG   3   3.860  11.523  -3.168
   28    H    GLY   4           H        GLY   4   1.198   5.968  -0.150
   29    HA2  GLY   4           2HA      GLY   4  -0.569   7.419   1.536
   30    HA3  GLY   4           3HA      GLY   4  -0.971   6.720  -0.025
   31    H    TRP   5           H        TRP   5   0.178   4.150   1.478
   32    HA   TRP   5           HA       TRP   5  -2.435   3.125   2.089
   33    HB2  TRP   5           2HB      TRP   5   0.336   1.990   2.032
   34    HB3  TRP   5           3HB      TRP   5  -0.947   1.098   2.845
   35    HD1  TRP   5           HD1      TRP   5  -2.251  -0.513   1.347
   36    HE1  TRP   5           HE1      TRP   5  -2.614  -0.794  -1.186
   37    HE3  TRP   5           HE3      TRP   5   0.229   3.646  -0.294
   38    HZ2  TRP   5           HZ2      TRP   5  -1.938   0.568  -3.564
   39    HZ3  TRP   5           HZ3      TRP   5   0.325   4.084  -2.713
   40    HH2  TRP   5           HH2      TRP   5  -0.736   2.575  -4.313
   41    H    LYS   6           H        LYS   6  -1.759   5.288   3.759
   42    HA   LYS   6           HA       LYS   6  -1.595   3.933   6.371
   43    HB2  LYS   6           2HB      LYS   6  -0.146   6.280   5.333
   44    HB3  LYS   6           3HB      LYS   6  -0.825   6.486   6.942
   45    HG2  LYS   6           2HG      LYS   6   0.856   5.348   7.815
   46    HG3  LYS   6           3HG      LYS   6   0.444   3.945   6.827
   47    HD2  LYS   6           2HD      LYS   6   1.949   4.511   5.163
   48    HD3  LYS   6           3HD      LYS   6   1.967   6.216   5.619
   49    HE2  LYS   6           2HE      LYS   6   3.088   5.480   7.771
   50    HE3  LYS   6           3HE      LYS   6   3.292   3.902   7.013
   51    HZ1  LYS   6           3HZ      LYS   6   5.177   5.625   6.845
   52    HZ2  LYS   6           1HZ      LYS   6   4.225   6.335   5.640
   53    HZ3  LYS   6           2HZ      LYS   6   4.760   4.740   5.464
   54    H    ARG   7           H        ARG   7  -2.298   7.302   5.537
   55    HA   ARG   7           HA       ARG   7  -4.752   7.142   7.096
   56    HB2  ARG   7           2HB      ARG   7  -3.098   9.390   5.996
   57    HB3  ARG   7           3HB      ARG   7  -4.755   9.681   6.509
   58    HG2  ARG   7           2HG      ARG   7  -4.197   9.666   8.662
   59    HG3  ARG   7           3HG      ARG   7  -3.223   8.205   8.485
   60    HD2  ARG   7           2HD      ARG   7  -1.302   9.361   8.201
   61    HD3  ARG   7           3HD      ARG   7  -2.092  10.658   7.305
   62    HE   ARG   7           HE       ARG   7  -1.519  10.612  10.093
   63   HH11  ARG   7          1HH1      ARG   7  -3.814  11.755   7.737
   64   HH12  ARG   7          2HH1      ARG   7  -4.337  13.093   8.705
   65   HH21  ARG   7          1HH2      ARG   7  -2.200  12.371  11.376
   66   HH22  ARG   7          2HH2      ARG   7  -3.418  13.443  10.774
   67    H    LYS   8           H        LYS   8  -4.066   8.954   4.117
   68    HA   LYS   8           HA       LYS   8  -6.751   8.577   3.181
   69    HB2  LYS   8           2HB      LYS   8  -6.057   9.903   1.259
   70    HB3  LYS   8           3HB      LYS   8  -5.510  10.657   2.750
   71    HG2  LYS   8           2HG      LYS   8  -3.629   8.820   1.386
   72    HG3  LYS   8           3HG      LYS   8  -3.943  10.383   0.628
   73    HD2  LYS   8           2HD      LYS   8  -3.557  11.203   3.144
   74    HD3  LYS   8           3HD      LYS   8  -2.568   9.741   3.173
   75    HE2  LYS   8           2HE      LYS   8  -0.986  10.658   1.881
   76    HE3  LYS   8           3HE      LYS   8  -2.169  11.360   0.779
   77    HZ1  LYS   8           3HZ      LYS   8  -2.515  12.945   2.853
   78    HZ2  LYS   8           1HZ      LYS   8  -1.346  13.253   1.669
   79    HZ3  LYS   8           2HZ      LYS   8  -0.899  12.527   3.130
   80    H    CYS   9           H        CYS   9  -5.805   6.085   3.516
   81    HA   CYS   9           HA       CYS   9  -4.413   4.713   1.671
   82    HB2  CYS   9           2HB      CYS   9  -6.262   2.901   1.897
   83    HB3  CYS   9           3HB      CYS   9  -5.375   3.395   3.334
   84    HG   CYS   9           HG       CYS   9  -7.354   4.769   4.518
   85    HA   PRO  10           HA       PRO  10  -6.558   6.103  -2.064
   86    HB2  PRO  10           2HB      PRO  10  -4.534   5.411  -3.736
   87    HB3  PRO  10           3HB      PRO  10  -4.541   6.915  -2.807
   88    HG2  PRO  10           2HG      PRO  10  -3.139   4.335  -2.224
   89    HG3  PRO  10           3HG      PRO  10  -2.534   5.995  -2.075
   90    HD2  PRO  10           2HD      PRO  10  -3.403   4.564   0.054
   91    HD3  PRO  10           3HD      PRO  10  -3.581   6.328  -0.048
   92    H    LEU  11           H        LEU  11  -4.869   3.037  -1.542
   93    HA   LEU  11           HA       LEU  11  -6.885   1.724  -3.242
   94    HB2  LEU  11           2HB      LEU  11  -4.809   1.597  -4.393
   95    HB3  LEU  11           3HB      LEU  11  -3.955   1.117  -2.927
   96    HG   LEU  11           HG       LEU  11  -6.092  -0.667  -3.998
   97   HD11  LEU  11          1HD1      LEU  11  -3.461  -0.113  -5.272
   98   HD12  LEU  11          2HD1      LEU  11  -5.011  -0.519  -6.008
   99   HD13  LEU  11          3HD1      LEU  11  -4.051  -1.775  -5.227
  100   HD21  LEU  11          3HD2      LEU  11  -4.393  -0.786  -1.860
  101   HD22  LEU  11          1HD2      LEU  11  -3.540  -1.746  -3.069
  102   HD23  LEU  11          2HD2      LEU  11  -5.189  -2.171  -2.609
  103    H    PHE  12           H        PHE  12  -4.879   1.549  -0.363
  104    HA   PHE  12           HA       PHE  12  -5.300  -0.912   0.651
  105    HB2  PHE  12           2HB      PHE  12  -4.483   1.500   1.706
  106    HB3  PHE  12           3HB      PHE  12  -5.915   1.128   2.660
  107    HD1  PHE  12           HD2      PHE  12  -5.564  -1.926   2.474
  108    HD2  PHE  12           HD1      PHE  12  -2.914   1.250   3.479
  109    HE1  PHE  12           HE2      PHE  12  -4.240  -3.472   3.856
  110    HE2  PHE  12           HE1      PHE  12  -1.585  -0.291   4.862
  111    HZ   PHE  12           HZ       PHE  12  -2.248  -2.655   5.053
  112    H    GLY  13           H        GLY  13  -7.591   1.782   1.161
  113    HA2  GLY  13           2HA      GLY  13  -9.711  -0.252   1.491
  114    HA3  GLY  13           3HA      GLY  13  -9.658   1.233   2.430
  115    H    LYS  14           H        LYS  14  -9.366   0.441  -1.036
  116    HA   LYS  14           HA       LYS  14 -10.299   2.675  -2.194
  117    HB2  LYS  14           2HB      LYS  14 -10.893  -0.194  -2.886
  118    HB3  LYS  14           3HB      LYS  14 -11.461   1.131  -3.894
  119    HG2  LYS  14           2HG      LYS  14  -8.572   0.693  -3.177
  120    HG3  LYS  14           3HG      LYS  14  -9.331   0.080  -4.647
  121    HD2  LYS  14           2HD      LYS  14  -9.226   2.988  -3.848
  122    HD3  LYS  14           3HD      LYS  14  -8.118   2.216  -4.985
  123    HE2  LYS  14           2HE      LYS  14 -10.820   1.620  -5.723
  124    HE3  LYS  14           3HE      LYS  14 -10.639   3.362  -5.515
  125    HZ1  LYS  14           3HZ      LYS  14  -9.716   3.403  -7.514
  126    HZ2  LYS  14           1HZ      LYS  14  -9.713   1.715  -7.623
  127    HZ3  LYS  14           2HZ      LYS  14  -8.408   2.518  -6.908
  128    H    GLY  15           H        GLY  15 -12.642   0.033  -1.755
  129    HA2  GLY  15           2HA      GLY  15 -14.909   1.649  -1.941
  130    HA3  GLY  15           3HA      GLY  15 -14.866   0.060  -1.192
  131    H    GLY  16           H        GLY  16 -13.637   0.177   1.055
  132    HA2  GLY  16           2HA      GLY  16 -13.306   1.957   2.867
  133    HA3  GLY  16           3HA      GLY  16 -14.994   2.328   2.546
  Start of MODEL   17
    1    H1   VAL   1           H        VAL   1   1.993  -0.831   0.998
    2    HA   VAL   1           HA       VAL   1   2.660  -1.809  -1.121
    3    HB   VAL   1           HB       VAL   1   0.628   0.109  -2.272
    4   HG11  VAL   1          1HG1      VAL   1   1.520  -1.885  -4.105
    5   HG12  VAL   1          2HG1      VAL   1   1.646  -0.130  -4.230
    6   HG13  VAL   1          3HG1      VAL   1   2.924  -1.053  -3.438
    7   HG21  VAL   1          3HG2      VAL   1   0.541  -2.895  -2.357
    8   HG22  VAL   1          1HG2      VAL   1  -0.225  -1.963  -1.071
    9   HG23  VAL   1          2HG2      VAL   1  -0.742  -1.749  -2.743
   10    H    ALA   2           H        ALA   2   1.799   1.638  -0.862
   11    HA   ALA   2           HA       ALA   2   4.590   2.286  -1.562
   12    HB1  ALA   2           1HB      ALA   2   3.734   4.410  -2.500
   13    HB2  ALA   2           2HB      ALA   2   3.140   2.985  -3.353
   14    HB3  ALA   2           3HB      ALA   2   2.089   3.836  -2.221
   15    H    ARG   3           H        ARG   3   2.750   4.988  -0.836
   16    HA   ARG   3           HA       ARG   3   3.670   4.979   1.964
   17    HB2  ARG   3           2HB      ARG   3   4.060   7.404   1.749
   18    HB3  ARG   3           3HB      ARG   3   5.067   6.471   0.650
   19    HG2  ARG   3           2HG      ARG   3   2.872   6.996  -0.890
   20    HG3  ARG   3           3HG      ARG   3   3.014   8.462   0.083
   21    HD2  ARG   3           2HD      ARG   3   5.616   7.929  -0.664
   22    HD3  ARG   3           3HD      ARG   3   4.683   7.491  -2.095
   23    HE   ARG   3           HE       ARG   3   3.946  10.036  -0.995
   24   HH11  ARG   3          1HH1      ARG   3   6.174   8.377  -3.094
   25   HH12  ARG   3          2HH1      ARG   3   6.539   9.785  -4.035
   26   HH21  ARG   3          1HH2      ARG   3   4.419  11.897  -2.227
   27   HH22  ARG   3          2HH2      ARG   3   5.541  11.787  -3.540
   28    H    GLY   4           H        GLY   4   1.203   5.934  -0.336
   29    HA2  GLY   4           2HA      GLY   4  -0.438   7.376   1.473
   30    HA3  GLY   4           3HA      GLY   4  -0.952   6.683  -0.057
   31    H    TRP   5           H        TRP   5   0.270   4.093   1.322
   32    HA   TRP   5           HA       TRP   5  -2.297   3.096   2.140
   33    HB2  TRP   5           2HB      TRP   5   0.444   1.917   1.847
   34    HB3  TRP   5           3HB      TRP   5  -0.797   1.032   2.731
   35    HD1  TRP   5           HD1      TRP   5  -2.254  -0.509   1.299
   36    HE1  TRP   5           HE1      TRP   5  -2.794  -0.731  -1.207
   37    HE3  TRP   5           HE3      TRP   5   0.231   3.609  -0.434
   38    HZ2  TRP   5           HZ2      TRP   5  -2.240   0.656  -3.603
   39    HZ3  TRP   5           HZ3      TRP   5   0.177   4.090  -2.847
   40    HH2  TRP   5           HH2      TRP   5  -1.033   2.642  -4.397
   41    H    LYS   6           H        LYS   6  -1.389   5.232   3.769
   42    HA   LYS   6           HA       LYS   6  -1.046   3.836   6.342
   43    HB2  LYS   6           2HB      LYS   6   0.966   5.034   6.012
   44    HB3  LYS   6           3HB      LYS   6   0.120   6.443   5.387
   45    HG2  LYS   6           2HG      LYS   6  -0.772   5.878   8.050
   46    HG3  LYS   6           3HG      LYS   6   0.990   5.980   8.008
   47    HD2  LYS   6           2HD      LYS   6  -0.326   8.066   6.448
   48    HD3  LYS   6           3HD      LYS   6  -0.743   8.110   8.163
   49    HE2  LYS   6           2HE      LYS   6   1.639   8.125   8.735
   50    HE3  LYS   6           3HE      LYS   6   2.050   8.085   7.021
   51    HZ1  LYS   6           3HZ      LYS   6   0.825  10.277   8.570
   52    HZ2  LYS   6           1HZ      LYS   6   0.656  10.207   6.888
   53    HZ3  LYS   6           2HZ      LYS   6   2.196  10.316   7.579
   54    H    ARG   7           H        ARG   7  -1.792   7.210   5.531
   55    HA   ARG   7           HA       ARG   7  -4.094   7.080   7.322
   56    HB2  ARG   7           2HB      ARG   7  -2.159   9.046   6.753
   57    HB3  ARG   7           3HB      ARG   7  -3.681   9.671   6.134
   58    HG2  ARG   7           2HG      ARG   7  -3.276  10.382   8.431
   59    HG3  ARG   7           3HG      ARG   7  -4.715   9.369   8.310
   60    HD2  ARG   7           2HD      ARG   7  -3.864   8.055   9.885
   61    HD3  ARG   7           3HD      ARG   7  -2.569   7.622   8.770
   62    HE   ARG   7           HE       ARG   7  -1.139   8.951   9.967
   63   HH11  ARG   7          1HH1      ARG   7  -4.419   9.709  10.853
   64   HH12  ARG   7          2HH1      ARG   7  -3.963  10.742  12.167
   65   HH21  ARG   7          1HH2      ARG   7  -0.526  10.308  11.695
   66   HH22  ARG   7          2HH2      ARG   7  -1.749  11.082  12.644
   67    H    LYS   8           H        LYS   8  -3.610   8.915   4.316
   68    HA   LYS   8           HA       LYS   8  -6.373   8.606   3.600
   69    HB2  LYS   8           2HB      LYS   8  -5.691   9.856   1.539
   70    HB3  LYS   8           3HB      LYS   8  -5.310  10.680   3.045
   71    HG2  LYS   8           2HG      LYS   8  -3.265  10.945   2.223
   72    HG3  LYS   8           3HG      LYS   8  -3.030   9.222   2.526
   73    HD2  LYS   8           2HD      LYS   8  -3.303   8.658   0.325
   74    HD3  LYS   8           3HD      LYS   8  -4.362  10.031  -0.007
   75    HE2  LYS   8           2HE      LYS   8  -2.652  11.316  -0.647
   76    HE3  LYS   8           3HE      LYS   8  -1.682  10.856   0.752
   77    HZ1  LYS   8           3HZ      LYS   8  -1.713   8.636  -0.859
   78    HZ2  LYS   8           1HZ      LYS   8  -0.428   9.717  -0.658
   79    HZ3  LYS   8           2HZ      LYS   8  -1.518   9.928  -1.933
   80    H    CYS   9           H        CYS   9  -5.494   6.093   3.816
   81    HA   CYS   9           HA       CYS   9  -4.267   4.712   1.863
   82    HB2  CYS   9           2HB      CYS   9  -6.156   2.955   2.178
   83    HB3  CYS   9           3HB      CYS   9  -5.162   3.394   3.562
   84    HG   CYS   9           HG       CYS   9  -8.432   4.020   2.990
   85    HA   PRO  10           HA       PRO  10  -6.605   6.241  -1.699
   86    HB2  PRO  10           2HB      PRO  10  -4.709   5.537  -3.510
   87    HB3  PRO  10           3HB      PRO  10  -4.619   7.020  -2.553
   88    HG2  PRO  10           2HG      PRO  10  -3.249   4.396  -2.112
   89    HG3  PRO  10           3HG      PRO  10  -2.594   6.038  -1.968
   90    HD2  PRO  10           2HD      PRO  10  -3.363   4.582   0.182
   91    HD3  PRO  10           3HD      PRO  10  -3.503   6.351   0.127
   92    H    LEU  11           H        LEU  11  -4.965   3.125  -1.347
   93    HA   LEU  11           HA       LEU  11  -7.119   1.897  -2.938
   94    HB2  LEU  11           2HB      LEU  11  -5.131   1.748  -4.231
   95    HB3  LEU  11           3HB      LEU  11  -4.189   1.222  -2.838
   96    HG   LEU  11           HG       LEU  11  -6.433  -0.497  -3.790
   97   HD11  LEU  11          1HD1      LEU  11  -5.492  -0.328  -5.868
   98   HD12  LEU  11          2HD1      LEU  11  -4.507  -1.619  -5.181
   99   HD13  LEU  11          3HD1      LEU  11  -3.885   0.030  -5.235
  100   HD21  LEU  11          3HD2      LEU  11  -3.837  -1.634  -3.058
  101   HD22  LEU  11          1HD2      LEU  11  -5.459  -2.054  -2.508
  102   HD23  LEU  11          2HD2      LEU  11  -4.604  -0.697  -1.774
  103    H    PHE  12           H        PHE  12  -4.937   1.622  -0.200
  104    HA   PHE  12           HA       PHE  12  -5.339  -0.853   0.787
  105    HB2  PHE  12           2HB      PHE  12  -4.406   1.517   1.836
  106    HB3  PHE  12           3HB      PHE  12  -5.784   1.157   2.872
  107    HD1  PHE  12           HD2      PHE  12  -5.516  -1.899   2.612
  108    HD2  PHE  12           HD1      PHE  12  -2.733   1.197   3.498
  109    HE1  PHE  12           HE2      PHE  12  -4.144  -3.500   3.879
  110    HE2  PHE  12           HE1      PHE  12  -1.356  -0.399   4.767
  111    HZ   PHE  12           HZ       PHE  12  -2.062  -2.751   4.959
  112    H    GLY  13           H        GLY  13  -7.547   1.870   1.469
  113    HA2  GLY  13           2HA      GLY  13  -9.673  -0.133   1.925
  114    HA3  GLY  13           3HA      GLY  13  -9.541   1.350   2.858
  115    H    LYS  14           H        LYS  14  -9.058   1.074  -0.618
  116    HA   LYS  14           HA       LYS  14 -10.420   3.268  -1.420
  117    HB2  LYS  14           2HB      LYS  14  -9.135   1.579  -2.842
  118    HB3  LYS  14           3HB      LYS  14 -10.641   0.677  -2.945
  119    HG2  LYS  14           2HG      LYS  14 -11.353   1.970  -4.591
  120    HG3  LYS  14           3HG      LYS  14 -11.130   3.416  -3.603
  121    HD2  LYS  14           2HD      LYS  14  -9.184   3.943  -4.603
  122    HD3  LYS  14           3HD      LYS  14  -8.646   2.263  -4.660
  123    HE2  LYS  14           2HE      LYS  14 -10.476   2.034  -6.502
  124    HE3  LYS  14           3HE      LYS  14 -10.330   3.787  -6.605
  125    HZ1  LYS  14           3HZ      LYS  14  -8.865   2.793  -8.188
  126    HZ2  LYS  14           1HZ      LYS  14  -8.165   1.799  -7.012
  127    HZ3  LYS  14           2HZ      LYS  14  -7.920   3.471  -6.960
  128    H    GLY  15           H        GLY  15 -11.956   0.053  -1.653
  129    HA2  GLY  15           2HA      GLY  15 -14.552   0.951  -2.033
  130    HA3  GLY  15           3HA      GLY  15 -14.132  -0.606  -1.335
  131    H    GLY  16           H        GLY  16 -13.870  -0.758   0.969
  132    HA2  GLY  16           2HA      GLY  16 -14.008   0.889   2.998
  133    HA3  GLY  16           3HA      GLY  16 -15.623   1.141   2.354
  Start of MODEL   18
    1    H1   VAL   1           H        VAL   1   1.610  -0.951   0.957
    2    HA   VAL   1           HA       VAL   1   2.706  -1.432  -1.002
    3    HB   VAL   1           HB       VAL   1   0.743   0.464  -2.299
    4   HG11  VAL   1          1HG1      VAL   1   1.973   0.332  -4.140
    5   HG12  VAL   1          2HG1      VAL   1   3.171  -0.632  -3.275
    6   HG13  VAL   1          3HG1      VAL   1   1.837  -1.426  -4.113
    7   HG21  VAL   1          3HG2      VAL   1  -0.697  -1.240  -2.532
    8   HG22  VAL   1          1HG2      VAL   1   0.584  -2.396  -2.897
    9   HG23  VAL   1          2HG2      VAL   1   0.213  -1.990  -1.221
   10    H    ALA   2           H        ALA   2   1.797   1.984  -0.643
   11    HA   ALA   2           HA       ALA   2   4.607   2.693  -1.183
   12    HB1  ALA   2           1HB      ALA   2   3.209   3.484  -2.986
   13    HB2  ALA   2           2HB      ALA   2   2.127   4.276  -1.840
   14    HB3  ALA   2           3HB      ALA   2   3.780   4.857  -2.037
   15    H    ARG   3           H        ARG   3   2.763   5.355  -0.384
   16    HA   ARG   3           HA       ARG   3   3.519   5.160   2.458
   17    HB2  ARG   3           2HB      ARG   3   4.241   7.400   2.479
   18    HB3  ARG   3           3HB      ARG   3   4.921   6.725   1.005
   19    HG2  ARG   3           2HG      ARG   3   2.356   8.290   1.069
   20    HG3  ARG   3           3HG      ARG   3   3.939   9.021   0.797
   21    HD2  ARG   3           2HD      ARG   3   3.879   6.889  -0.964
   22    HD3  ARG   3           3HD      ARG   3   2.237   7.527  -1.022
   23    HE   ARG   3           HE       ARG   3   3.791   9.739  -1.245
   24   HH11  ARG   3          1HH1      ARG   3   3.641   6.708  -2.951
   25   HH12  ARG   3          2HH1      ARG   3   4.185   7.378  -4.454
   26   HH21  ARG   3          1HH2      ARG   3   4.508  10.633  -3.218
   27   HH22  ARG   3          2HH2      ARG   3   4.679   9.610  -4.604
   28    H    GLY   4           H        GLY   4   1.191   6.231   0.082
   29    HA2  GLY   4           2HA      GLY   4  -0.521   7.622   1.883
   30    HA3  GLY   4           3HA      GLY   4  -0.951   7.047   0.279
   31    H    TRP   5           H        TRP   5   0.169   4.363   1.631
   32    HA   TRP   5           HA       TRP   5  -2.456   3.323   2.138
   33    HB2  TRP   5           2HB      TRP   5   0.312   2.189   2.068
   34    HB3  TRP   5           3HB      TRP   5  -0.969   1.263   2.845
   35    HD1  TRP   5           HD1      TRP   5  -2.222  -0.322   1.282
   36    HE1  TRP   5           HE1      TRP   5  -2.596  -0.500  -1.259
   37    HE3  TRP   5           HE3      TRP   5   0.144   3.964  -0.189
   38    HZ2  TRP   5           HZ2      TRP   5  -1.970   0.980  -3.579
   39    HZ3  TRP   5           HZ3      TRP   5   0.213   4.510  -2.587
   40    HH2  TRP   5           HH2      TRP   5  -0.822   3.047  -4.246
   41    H    LYS   6           H        LYS   6  -1.739   5.409   3.931
   42    HA   LYS   6           HA       LYS   6  -1.712   3.921   6.475
   43    HB2  LYS   6           2HB      LYS   6  -0.208   6.342   5.633
   44    HB3  LYS   6           3HB      LYS   6  -0.823   6.317   7.280
   45    HG2  LYS   6           2HG      LYS   6   0.772   4.925   7.944
   46    HG3  LYS   6           3HG      LYS   6   0.475   3.826   6.595
   47    HD2  LYS   6           2HD      LYS   6   1.909   5.078   5.160
   48    HD3  LYS   6           3HD      LYS   6   2.038   6.389   6.334
   49    HE2  LYS   6           2HE      LYS   6   3.162   4.830   7.890
   50    HE3  LYS   6           3HE      LYS   6   3.101   3.583   6.646
   51    HZ1  LYS   6           3HZ      LYS   6   5.165   4.421   6.270
   52    HZ2  LYS   6           1HZ      LYS   6   4.770   5.981   6.795
   53    HZ3  LYS   6           2HZ      LYS   6   4.285   5.457   5.262
   54    H    ARG   7           H        ARG   7  -2.231   7.360   5.828
   55    HA   ARG   7           HA       ARG   7  -4.735   7.234   7.301
   56    HB2  ARG   7           2HB      ARG   7  -2.955   9.450   6.348
   57    HB3  ARG   7           3HB      ARG   7  -4.614   9.796   6.818
   58    HG2  ARG   7           2HG      ARG   7  -4.240   9.234   9.035
   59    HG3  ARG   7           3HG      ARG   7  -2.802   8.285   8.653
   60    HD2  ARG   7           2HD      ARG   7  -1.993  10.257   9.641
   61    HD3  ARG   7           3HD      ARG   7  -1.745  10.473   7.909
   62    HE   ARG   7           HE       ARG   7  -3.256  12.198   7.937
   63   HH11  ARG   7          1HH1      ARG   7  -3.493  10.403  10.910
   64   HH12  ARG   7          2HH1      ARG   7  -4.544  11.552  11.672
   65   HH21  ARG   7          1HH2      ARG   7  -4.638  13.718   8.929
   66   HH22  ARG   7          2HH2      ARG   7  -5.195  13.436  10.543
   67    H    LYS   8           H        LYS   8  -3.898   9.138   4.420
   68    HA   LYS   8           HA       LYS   8  -6.573   8.936   3.410
   69    HB2  LYS   8           2HB      LYS   8  -5.760  10.282   1.548
   70    HB3  LYS   8           3HB      LYS   8  -5.212  10.957   3.077
   71    HG2  LYS   8           2HG      LYS   8  -3.399   9.067   1.693
   72    HG3  LYS   8           3HG      LYS   8  -3.606  10.673   0.989
   73    HD2  LYS   8           2HD      LYS   8  -3.244  11.369   3.548
   74    HD3  LYS   8           3HD      LYS   8  -2.332   9.858   3.537
   75    HE2  LYS   8           2HE      LYS   8  -0.652  11.188   2.835
   76    HE3  LYS   8           3HE      LYS   8  -1.423  10.982   1.263
   77    HZ1  LYS   8           3HZ      LYS   8  -2.436  13.065   1.411
   78    HZ2  LYS   8           1HZ      LYS   8  -0.869  13.333   1.989
   79    HZ3  LYS   8           2HZ      LYS   8  -2.159  13.200   3.074
   80    H    CYS   9           H        CYS   9  -5.803   6.386   3.671
   81    HA   CYS   9           HA       CYS   9  -4.439   4.995   1.817
   82    HB2  CYS   9           2HB      CYS   9  -7.185   4.381   2.913
   83    HB3  CYS   9           3HB      CYS   9  -6.246   3.230   1.971
   84    HG   CYS   9           HG       CYS   9  -6.213   2.812   4.856
   85    HA   PRO  10           HA       PRO  10  -6.385   6.647  -1.921
   86    HB2  PRO  10           2HB      PRO  10  -4.355   5.896  -3.561
   87    HB3  PRO  10           3HB      PRO  10  -4.302   7.364  -2.577
   88    HG2  PRO  10           2HG      PRO  10  -3.071   4.686  -2.053
   89    HG3  PRO  10           3HG      PRO  10  -2.376   6.301  -1.824
   90    HD2  PRO  10           2HD      PRO  10  -3.391   4.848   0.223
   91    HD3  PRO  10           3HD      PRO  10  -3.462   6.622   0.183
   92    H    LEU  11           H        LEU  11  -4.828   3.480  -1.549
   93    HA   LEU  11           HA       LEU  11  -6.915   2.341  -3.289
   94    HB2  LEU  11           2HB      LEU  11  -4.923   2.136  -4.512
   95    HB3  LEU  11           3HB      LEU  11  -3.994   1.690  -3.083
   96    HG   LEU  11           HG       LEU  11  -6.154  -0.139  -4.019
   97   HD11  LEU  11          1HD1      LEU  11  -4.213  -1.246  -5.360
   98   HD12  LEU  11          2HD1      LEU  11  -3.572   0.396  -5.416
   99   HD13  LEU  11          3HD1      LEU  11  -5.165   0.048  -6.088
  100   HD21  LEU  11          3HD2      LEU  11  -3.536  -1.161  -3.209
  101   HD22  LEU  11          1HD2      LEU  11  -5.152  -1.614  -2.666
  102   HD23  LEU  11          2HD2      LEU  11  -4.351  -0.205  -1.969
  103    H    PHE  12           H        PHE  12  -4.874   1.915  -0.458
  104    HA   PHE  12           HA       PHE  12  -5.365  -0.564   0.441
  105    HB2  PHE  12           2HB      PHE  12  -4.504   1.773   1.619
  106    HB3  PHE  12           3HB      PHE  12  -5.949   1.386   2.548
  107    HD1  PHE  12           HD1      PHE  12  -5.637  -1.671   2.176
  108    HD2  PHE  12           HD2      PHE  12  -2.977   1.410   3.423
  109    HE1  PHE  12           HE1      PHE  12  -4.355  -3.312   3.486
  110    HE2  PHE  12           HE2      PHE  12  -1.691  -0.227   4.733
  111    HZ   PHE  12           HZ       PHE  12  -2.379  -2.592   4.766
  112    H    GLY  13           H        GLY  13  -7.593   2.136   1.159
  113    HA2  GLY  13           2HA      GLY  13  -9.762   0.133   1.325
  114    HA3  GLY  13           3HA      GLY  13  -9.673   1.538   2.377
  115    H    LYS  14           H        LYS  14  -9.012   1.478  -1.087
  116    HA   LYS  14           HA       LYS  14 -10.277   3.758  -1.810
  117    HB2  LYS  14           2HB      LYS  14 -10.673   2.671  -4.055
  118    HB3  LYS  14           3HB      LYS  14  -9.024   2.578  -3.450
  119    HG2  LYS  14           2HG      LYS  14  -9.543   0.275  -2.630
  120    HG3  LYS  14           3HG      LYS  14 -11.090   0.392  -3.471
  121    HD2  LYS  14           2HD      LYS  14  -8.842   1.132  -5.161
  122    HD3  LYS  14           3HD      LYS  14  -8.709  -0.515  -4.542
  123    HE2  LYS  14           2HE      LYS  14 -10.636  -1.210  -5.601
  124    HE3  LYS  14           3HE      LYS  14 -11.308   0.418  -5.673
  125    HZ1  LYS  14           3HZ      LYS  14  -8.882  -0.231  -7.207
  126    HZ2  LYS  14           1HZ      LYS  14 -10.055   0.951  -7.509
  127    HZ3  LYS  14           2HZ      LYS  14 -10.398  -0.678  -7.809
  128    H    GLY  15           H        GLY  15 -11.801   0.605  -1.330
  129    HA2  GLY  15           2HA      GLY  15 -14.427   1.782  -1.906
  130    HA3  GLY  15           3HA      GLY  15 -14.078   0.066  -1.753
  131    H    GLY  16           H        GLY  16 -12.937  -0.260   0.617
  132    HA2  GLY  16           2HA      GLY  16 -13.341   0.854   2.912
  133    HA3  GLY  16           3HA      GLY  16 -15.031   0.661   2.468
  Start of MODEL   19
    1    H1   VAL   1           H        VAL   1   0.728  -1.514   0.796
    2    HA   VAL   1           HA       VAL   1   2.456  -2.025  -0.779
    3    HB   VAL   1           HB       VAL   1   0.503  -0.195  -2.180
    4   HG11  VAL   1          1HG1      VAL   1   1.400  -2.500  -3.662
    5   HG12  VAL   1          2HG1      VAL   1   1.452  -0.791  -4.101
    6   HG13  VAL   1          3HG1      VAL   1   2.764  -1.502  -3.159
    7   HG21  VAL   1          3HG2      VAL   1   0.291  -3.174  -1.782
    8   HG22  VAL   1          1HG2      VAL   1  -0.539  -1.987  -0.775
    9   HG23  VAL   1          2HG2      VAL   1  -0.907  -2.096  -2.496
   10    H    ALA   2           H        ALA   2   1.648   1.439  -0.796
   11    HA   ALA   2           HA       ALA   2   4.440   1.990  -1.566
   12    HB1  ALA   2           1HB      ALA   2   2.967   2.577  -3.385
   13    HB2  ALA   2           2HB      ALA   2   1.964   3.544  -2.303
   14    HB3  ALA   2           3HB      ALA   2   3.617   4.046  -2.656
   15    H    ARG   3           H        ARG   3   2.702   4.786  -1.036
   16    HA   ARG   3           HA       ARG   3   3.614   4.947   1.761
   17    HB2  ARG   3           2HB      ARG   3   5.086   6.312   0.465
   18    HB3  ARG   3           3HB      ARG   3   3.745   7.028  -0.419
   19    HG2  ARG   3           2HG      ARG   3   3.407   7.479   2.390
   20    HG3  ARG   3           3HG      ARG   3   5.010   8.008   1.878
   21    HD2  ARG   3           2HD      ARG   3   2.858   8.762   0.043
   22    HD3  ARG   3           3HD      ARG   3   2.712   9.471   1.651
   23    HE   ARG   3           HE       ARG   3   5.342   9.826   0.822
   24   HH11  ARG   3          1HH1      ARG   3   2.150  10.844  -0.124
   25   HH12  ARG   3          2HH1      ARG   3   2.687  12.351  -0.790
   26   HH21  ARG   3          1HH2      ARG   3   6.061  11.806  -0.051
   27   HH22  ARG   3          2HH2      ARG   3   4.912  12.897  -0.748
   28    H    GLY   4           H        GLY   4   1.177   5.798  -0.606
   29    HA2  GLY   4           2HA      GLY   4  -0.412   7.424   1.098
   30    HA3  GLY   4           3HA      GLY   4  -0.946   6.656  -0.390
   31    H    TRP   5           H        TRP   5   0.209   4.140   1.218
   32    HA   TRP   5           HA       TRP   5  -2.393   3.236   2.015
   33    HB2  TRP   5           2HB      TRP   5   0.347   2.037   1.926
   34    HB3  TRP   5           3HB      TRP   5  -0.899   1.247   2.888
   35    HD1  TRP   5           HD1      TRP   5  -2.278  -0.488   1.616
   36    HE1  TRP   5           HE1      TRP   5  -2.808  -0.977  -0.854
   37    HE3  TRP   5           HE3      TRP   5   0.077   3.512  -0.526
   38    HZ2  TRP   5           HZ2      TRP   5  -2.295   0.180  -3.378
   39    HZ3  TRP   5           HZ3      TRP   5   0.010   3.748  -2.974
   40    HH2  TRP   5           HH2      TRP   5  -1.151   2.115  -4.369
   41    H    LYS   6           H        LYS   6  -1.528   5.515   3.481
   42    HA   LYS   6           HA       LYS   6  -1.367   4.361   6.187
   43    HB2  LYS   6           2HB      LYS   6   0.018   6.750   5.016
   44    HB3  LYS   6           3HB      LYS   6  -0.328   6.691   6.740
   45    HG2  LYS   6           2HG      LYS   6   1.366   5.308   7.127
   46    HG3  LYS   6           3HG      LYS   6   0.903   4.244   5.797
   47    HD2  LYS   6           2HD      LYS   6   2.409   5.148   4.401
   48    HD3  LYS   6           3HD      LYS   6   2.041   6.793   4.926
   49    HE2  LYS   6           2HE      LYS   6   3.412   6.459   6.925
   50    HE3  LYS   6           3HE      LYS   6   3.773   4.814   6.405
   51    HZ1  LYS   6           3HZ      LYS   6   5.475   5.625   5.272
   52    HZ2  LYS   6           1HZ      LYS   6   5.055   7.214   5.674
   53    HZ3  LYS   6           2HZ      LYS   6   4.408   6.493   4.287
   54    H    ARG   7           H        ARG   7  -1.867   7.702   5.137
   55    HA   ARG   7           HA       ARG   7  -4.275   7.827   6.763
   56    HB2  ARG   7           2HB      ARG   7  -2.697   9.942   5.293
   57    HB3  ARG   7           3HB      ARG   7  -4.177  10.275   6.183
   58    HG2  ARG   7           2HG      ARG   7  -1.663   9.118   7.370
   59    HG3  ARG   7           3HG      ARG   7  -2.160  10.809   7.471
   60    HD2  ARG   7           2HD      ARG   7  -4.390   9.540   8.368
   61    HD3  ARG   7           3HD      ARG   7  -3.122   8.460   8.948
   62    HE   ARG   7           HE       ARG   7  -2.229  10.885   9.710
   63   HH11  ARG   7          1HH1      ARG   7  -5.285   9.263  10.093
   64   HH12  ARG   7          2HH1      ARG   7  -5.661  10.047  11.591
   65   HH21  ARG   7          1HH2      ARG   7  -2.713  11.924  11.682
   66   HH22  ARG   7          2HH2      ARG   7  -4.198  11.561  12.494
   67    H    LYS   8           H        LYS   8  -3.587   9.328   3.616
   68    HA   LYS   8           HA       LYS   8  -6.323   9.068   2.804
   69    HB2  LYS   8           2HB      LYS   8  -5.605  10.147   0.739
   70    HB3  LYS   8           3HB      LYS   8  -4.952  10.996   2.134
   71    HG2  LYS   8           2HG      LYS   8  -3.261   8.902   0.896
   72    HG3  LYS   8           3HG      LYS   8  -3.484  10.410   0.007
   73    HD2  LYS   8           2HD      LYS   8  -2.952  11.414   2.430
   74    HD3  LYS   8           3HD      LYS   8  -2.067   9.892   2.556
   75    HE2  LYS   8           2HE      LYS   8  -0.420  11.124   1.613
   76    HE3  LYS   8           3HE      LYS   8  -1.253  10.668   0.127
   77    HZ1  LYS   8           3HZ      LYS   8  -1.962  13.142   1.575
   78    HZ2  LYS   8           1HZ      LYS   8  -2.245  12.746  -0.045
   79    HZ3  LYS   8           2HZ      LYS   8  -0.678  13.113   0.474
   80    H    CYS   9           H        CYS   9  -5.584   6.553   3.341
   81    HA   CYS   9           HA       CYS   9  -4.363   4.903   1.604
   82    HB2  CYS   9           2HB      CYS   9  -7.049   4.506   2.927
   83    HB3  CYS   9           3HB      CYS   9  -6.190   3.220   2.086
   84    HG   CYS   9           HG       CYS   9  -3.964   3.312   3.806
   85    HA   PRO  10           HA       PRO  10  -6.500   6.121  -2.196
   86    HB2  PRO  10           2HB      PRO  10  -4.587   5.117  -3.841
   87    HB3  PRO  10           3HB      PRO  10  -4.448   6.695  -3.056
   88    HG2  PRO  10           2HG      PRO  10  -3.237   4.074  -2.267
   89    HG3  PRO  10           3HG      PRO  10  -2.499   5.686  -2.286
   90    HD2  PRO  10           2HD      PRO  10  -3.415   4.530  -0.015
   91    HD3  PRO  10           3HD      PRO  10  -3.456   6.286  -0.277
   92    H    LEU  11           H        LEU  11  -4.979   2.987  -1.517
   93    HA   LEU  11           HA       LEU  11  -7.190   1.692  -2.972
   94    HB2  LEU  11           2HB      LEU  11  -5.281   1.285  -4.275
   95    HB3  LEU  11           3HB      LEU  11  -4.273   0.998  -2.857
   96    HG   LEU  11           HG       LEU  11  -6.520  -0.879  -3.427
   97   HD11  LEU  11          1HD1      LEU  11  -4.689  -2.194  -4.729
   98   HD12  LEU  11          2HD1      LEU  11  -4.016  -0.592  -5.025
   99   HD13  LEU  11          3HD1      LEU  11  -5.653  -0.972  -5.558
  100   HD21  LEU  11          3HD2      LEU  11  -5.462  -2.198  -1.959
  101   HD22  LEU  11          1HD2      LEU  11  -4.597  -0.733  -1.494
  102   HD23  LEU  11          2HD2      LEU  11  -3.874  -1.855  -2.647
  103    H    PHE  12           H        PHE  12  -4.988   1.577  -0.233
  104    HA   PHE  12           HA       PHE  12  -5.465  -0.757   1.000
  105    HB2  PHE  12           2HB      PHE  12  -4.496   1.687   1.820
  106    HB3  PHE  12           3HB      PHE  12  -5.888   1.456   2.872
  107    HD1  PHE  12           HD2      PHE  12  -5.649  -1.630   2.875
  108    HD2  PHE  12           HD1      PHE  12  -2.868   1.518   3.561
  109    HE1  PHE  12           HE2      PHE  12  -4.318  -3.123   4.307
  110    HE2  PHE  12           HE1      PHE  12  -1.531   0.029   4.993
  111    HZ   PHE  12           HZ       PHE  12  -2.256  -2.294   5.368
  112    H    GLY  13           H        GLY  13  -7.601   2.064   1.495
  113    HA2  GLY  13           2HA      GLY  13  -9.788   0.151   2.042
  114    HA3  GLY  13           3HA      GLY  13  -9.613   1.676   2.898
  115    H    LYS  14           H        LYS  14  -9.160   1.165  -0.561
  116    HA   LYS  14           HA       LYS  14 -10.426   3.362  -1.499
  117    HB2  LYS  14           2HB      LYS  14  -9.249   1.466  -2.789
  118    HB3  LYS  14           3HB      LYS  14 -10.837   0.714  -2.869
  119    HG2  LYS  14           2HG      LYS  14 -11.519   2.080  -4.490
  120    HG3  LYS  14           3HG      LYS  14 -10.864   3.507  -3.685
  121    HD2  LYS  14           2HD      LYS  14  -9.438   3.514  -5.434
  122    HD3  LYS  14           3HD      LYS  14  -8.580   2.305  -4.476
  123    HE2  LYS  14           2HE      LYS  14  -8.780   0.959  -6.243
  124    HE3  LYS  14           3HE      LYS  14 -10.487   0.832  -5.824
  125    HZ1  LYS  14           3HZ      LYS  14 -10.936   2.712  -7.287
  126    HZ2  LYS  14           1HZ      LYS  14 -10.210   1.441  -8.135
  127    HZ3  LYS  14           2HZ      LYS  14  -9.300   2.800  -7.705
  128    H    GLY  15           H        GLY  15 -12.116   0.216  -1.489
  129    HA2  GLY  15           2HA      GLY  15 -14.676   1.564  -1.551
  130    HA3  GLY  15           3HA      GLY  15 -14.407  -0.172  -1.588
  131    H    GLY  16           H        GLY  16 -13.607  -1.125   0.522
  132    HA2  GLY  16           2HA      GLY  16 -15.318  -0.081   2.649
  133    HA3  GLY  16           3HA      GLY  16 -14.576  -1.673   2.600
  Start of MODEL   20
    1    H1   VAL   1           H        VAL   1   1.637   0.730   0.564
    2    HA   VAL   1           HA       VAL   1   2.987  -1.109  -1.152
    3    HB   VAL   1           HB       VAL   1   0.917   0.687  -2.426
    4   HG11  VAL   1          1HG1      VAL   1   2.111   0.588  -4.292
    5   HG12  VAL   1          2HG1      VAL   1   3.373  -0.301  -3.437
    6   HG13  VAL   1          3HG1      VAL   1   2.067  -1.174  -4.240
    7   HG21  VAL   1          3HG2      VAL   1   0.516  -1.779  -1.320
    8   HG22  VAL   1          1HG2      VAL   1  -0.451  -1.079  -2.618
    9   HG23  VAL   1          2HG2      VAL   1   0.871  -2.183  -3.000
   10    H    ALA   2           H        ALA   2   1.927   2.263  -0.792
   11    HA   ALA   2           HA       ALA   2   4.690   3.100  -1.395
   12    HB1  ALA   2           1HB      ALA   2   3.212   3.816  -3.167
   13    HB2  ALA   2           2HB      ALA   2   2.127   4.569  -1.998
   14    HB3  ALA   2           3HB      ALA   2   3.749   5.217  -2.240
   15    H    ARG   3           H        ARG   3   2.764   5.686  -0.569
   16    HA   ARG   3           HA       ARG   3   3.580   5.533   2.259
   17    HB2  ARG   3           2HB      ARG   3   3.889   7.995   2.181
   18    HB3  ARG   3           3HB      ARG   3   5.001   7.126   1.132
   19    HG2  ARG   3           2HG      ARG   3   3.019   7.617  -0.612
   20    HG3  ARG   3           3HG      ARG   3   2.838   9.006   0.460
   21    HD2  ARG   3           2HD      ARG   3   4.487   9.977  -0.675
   22    HD3  ARG   3           3HD      ARG   3   5.577   8.793   0.045
   23    HE   ARG   3           HE       ARG   3   4.583   7.485  -2.101
   24   HH11  ARG   3          1HH1      ARG   3   6.076  10.603  -1.684
   25   HH12  ARG   3          2HH1      ARG   3   6.768  10.629  -3.272
   26   HH21  ARG   3          1HH2      ARG   3   5.489   7.508  -4.195
   27   HH22  ARG   3          2HH2      ARG   3   6.433   8.869  -4.700
   28    H    GLY   4           H        GLY   4   1.163   6.505  -0.072
   29    HA2  GLY   4           2HA      GLY   4  -0.570   7.825   1.761
   30    HA3  GLY   4           3HA      GLY   4  -1.009   7.228   0.168
   31    H    TRP   5           H        TRP   5   0.253   4.600   1.510
   32    HA   TRP   5           HA       TRP   5  -2.312   3.445   2.064
   33    HB2  TRP   5           2HB      TRP   5   0.503   2.442   1.962
   34    HB3  TRP   5           3HB      TRP   5  -0.718   1.464   2.772
   35    HD1  TRP   5           HD1      TRP   5  -1.903  -0.207   1.248
   36    HE1  TRP   5           HE1      TRP   5  -2.319  -0.429  -1.283
   37    HE3  TRP   5           HE3      TRP   5   0.185   4.193  -0.308
   38    HZ2  TRP   5           HZ2      TRP   5  -1.828   1.063  -3.628
   39    HZ3  TRP   5           HZ3      TRP   5   0.171   4.720  -2.712
   40    HH2  TRP   5           HH2      TRP   5  -0.814   3.185  -4.336
   41    H    LYS   6           H        LYS   6  -1.667   5.579   3.831
   42    HA   LYS   6           HA       LYS   6  -1.532   4.116   6.386
   43    HB2  LYS   6           2HB      LYS   6  -0.429   6.842   5.700
   44    HB3  LYS   6           3HB      LYS   6  -0.602   6.257   7.350
   45    HG2  LYS   6           2HG      LYS   6   1.148   5.123   5.182
   46    HG3  LYS   6           3HG      LYS   6   1.656   5.921   6.672
   47    HD2  LYS   6           2HD      LYS   6   0.118   3.927   7.667
   48    HD3  LYS   6           3HD      LYS   6   0.757   3.155   6.213
   49    HE2  LYS   6           2HE      LYS   6   2.423   2.632   7.680
   50    HE3  LYS   6           3HE      LYS   6   3.025   4.185   7.101
   51    HZ1  LYS   6           3HZ      LYS   6   1.258   4.520   9.303
   52    HZ2  LYS   6           1HZ      LYS   6   2.859   5.038   9.126
   53    HZ3  LYS   6           2HZ      LYS   6   2.532   3.484   9.709
   54    H    ARG   7           H        ARG   7  -2.198   7.534   5.864
   55    HA   ARG   7           HA       ARG   7  -4.676   7.283   7.335
   56    HB2  ARG   7           2HB      ARG   7  -2.862   9.457   6.554
   57    HB3  ARG   7           3HB      ARG   7  -4.565   9.893   6.508
   58    HG2  ARG   7           2HG      ARG   7  -4.773   9.845   8.745
   59    HG3  ARG   7           3HG      ARG   7  -3.698   8.456   8.922
   60    HD2  ARG   7           2HD      ARG   7  -1.985   9.774   9.439
   61    HD3  ARG   7           3HD      ARG   7  -2.231  10.743   7.987
   62    HE   ARG   7           HE       ARG   7  -3.271  12.328   9.267
   63   HH11  ARG   7          1HH1      ARG   7  -3.102   9.349  11.061
   64   HH12  ARG   7          2HH1      ARG   7  -3.682  10.052  12.535
   65   HH21  ARG   7          1HH2      ARG   7  -4.035  13.264  11.201
   66   HH22  ARG   7          2HH2      ARG   7  -4.213  12.279  12.613
   67    H    LYS   8           H        LYS   8  -4.051   9.218   4.425
   68    HA   LYS   8           HA       LYS   8  -6.729   8.807   3.485
   69    HB2  LYS   8           2HB      LYS   8  -5.937  10.129   1.506
   70    HB3  LYS   8           3HB      LYS   8  -5.722  10.934   3.054
   71    HG2  LYS   8           2HG      LYS   8  -3.630  11.308   2.412
   72    HG3  LYS   8           3HG      LYS   8  -3.342   9.591   2.704
   73    HD2  LYS   8           2HD      LYS   8  -3.369   9.069   0.484
   74    HD3  LYS   8           3HD      LYS   8  -4.504  10.360   0.083
   75    HE2  LYS   8           2HE      LYS   8  -2.669  11.999   0.470
   76    HE3  LYS   8           3HE      LYS   8  -1.563  10.643   0.685
   77    HZ1  LYS   8           3HZ      LYS   8  -1.334  10.501  -1.498
   78    HZ2  LYS   8           1HZ      LYS   8  -2.330  11.855  -1.697
   79    HZ3  LYS   8           2HZ      LYS   8  -3.001  10.303  -1.710
   80    H    CYS   9           H        CYS   9  -5.882   6.327   3.688
   81    HA   CYS   9           HA       CYS   9  -4.416   5.034   1.821
   82    HB2  CYS   9           2HB      CYS   9  -7.106   4.242   2.942
   83    HB3  CYS   9           3HB      CYS   9  -6.107   3.158   1.983
   84    HG   CYS   9           HG       CYS   9  -6.105   3.266   5.099
   85    HA   PRO  10           HA       PRO  10  -6.479   6.562  -1.899
   86    HB2  PRO  10           2HB      PRO  10  -4.444   5.883  -3.563
   87    HB3  PRO  10           3HB      PRO  10  -4.435   7.356  -2.586
   88    HG2  PRO  10           2HG      PRO  10  -3.094   4.731  -2.067
   89    HG3  PRO  10           3HG      PRO  10  -2.459   6.373  -1.855
   90    HD2  PRO  10           2HD      PRO  10  -3.389   4.893   0.213
   91    HD3  PRO  10           3HD      PRO  10  -3.529   6.662   0.166
   92    H    LEU  11           H        LEU  11  -4.768   3.467  -1.569
   93    HA   LEU  11           HA       LEU  11  -6.853   2.233  -3.247
   94    HB2  LEU  11           2HB      LEU  11  -4.913   2.104  -4.543
   95    HB3  LEU  11           3HB      LEU  11  -3.897   1.749  -3.147
   96    HG   LEU  11           HG       LEU  11  -5.968  -0.238  -3.949
   97   HD11  LEU  11          1HD1      LEU  11  -5.084   0.007  -6.069
   98   HD12  LEU  11          2HD1      LEU  11  -4.057  -1.249  -5.378
   99   HD13  LEU  11          3HD1      LEU  11  -3.477   0.414  -5.467
  100   HD21  LEU  11          3HD2      LEU  11  -4.792  -1.626  -2.638
  101   HD22  LEU  11          1HD2      LEU  11  -4.085  -0.148  -1.984
  102   HD23  LEU  11          2HD2      LEU  11  -3.240  -1.046  -3.245
  103    H    PHE  12           H        PHE  12  -4.720   1.914  -0.472
  104    HA   PHE  12           HA       PHE  12  -5.048  -0.587   0.437
  105    HB2  PHE  12           2HB      PHE  12  -4.294   1.791   1.597
  106    HB3  PHE  12           3HB      PHE  12  -5.701   1.335   2.553
  107    HD1  PHE  12           HD2      PHE  12  -5.231  -1.705   2.178
  108    HD2  PHE  12           HD1      PHE  12  -2.725   1.518   3.381
  109    HE1  PHE  12           HE2      PHE  12  -3.843  -3.272   3.470
  110    HE2  PHE  12           HE1      PHE  12  -1.331  -0.044   4.675
  111    HZ   PHE  12           HZ       PHE  12  -1.890  -2.442   4.722
  112    H    GLY  13           H        GLY  13  -7.412   1.976   1.222
  113    HA2  GLY  13           2HA      GLY  13  -9.458  -0.149   1.420
  114    HA3  GLY  13           3HA      GLY  13  -9.426   1.251   2.481
  115    H    LYS  14           H        LYS  14  -8.844   1.249  -0.998
  116    HA   LYS  14           HA       LYS  14 -10.240   3.458  -1.684
  117    HB2  LYS  14           2HB      LYS  14 -10.591   2.435  -3.922
  118    HB3  LYS  14           3HB      LYS  14  -8.950   2.240  -3.320
  119    HG2  LYS  14           2HG      LYS  14  -9.218   0.110  -3.946
  120    HG3  LYS  14           3HG      LYS  14 -10.102  -0.044  -2.425
  121    HD2  LYS  14           2HD      LYS  14 -11.755  -0.828  -3.736
  122    HD3  LYS  14           3HD      LYS  14 -12.053   0.879  -4.073
  123    HE2  LYS  14           2HE      LYS  14 -10.216   0.465  -5.926
  124    HE3  LYS  14           3HE      LYS  14 -10.760  -1.203  -5.762
  125    HZ1  LYS  14           3HZ      LYS  14 -12.792  -0.723  -6.619
  126    HZ2  LYS  14           1HZ      LYS  14 -11.898   0.466  -7.425
  127    HZ3  LYS  14           2HZ      LYS  14 -12.800   0.871  -6.053
  128    H    GLY  15           H        GLY  15 -11.606   0.233  -1.185
  129    HA2  GLY  15           2HA      GLY  15 -14.301   1.400  -1.482
  130    HA3  GLY  15           3HA      GLY  15 -13.916  -0.300  -1.706
  131    H    GLY  16           H        GLY  16 -13.526   2.174   0.841
  132    HA2  GLY  16           2HA      GLY  16 -15.165   0.760   2.687
  133    HA3  GLY  16           3HA      GLY  16 -13.464   0.465   3.018