*HEADER    PLANT PROTEIN                           06-AUG-12   2LWS              
*TITLE     NMR SOLUTION STRUCTURE OF PAWS DERIVED PEPTIDE 4 (PDP-4)              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PAWS DERIVED PEPTIDE 4 (PDP-4);                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    PLANT PEPTIDE, PAWS DERIVED, CYCLIC PEPTIDE, PLANT PROTEIN            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.G.ELLIOTT, J.S.MYLNE, K.ROSENGREN                                   
*REVDAT   1   21-AUG-13 2LWS    0                                                


H Proton - H Proton  
9 PHE  H       9 PHE  HB2     2.99            #peak 3
  8 CYSS HA      9 PHE  H       3.17            #peak 4
  8 CYSS H       8 CYSS HB2     3.24            #peak 6
  8 CYSS H       8 CYSS HB3     3.21            #peak 7
  7 PHE  HA      8 CYSS H       3.24            #peak 8
  7 PHE  H       7 PHE  HB3     3.83            #peak 10
  7 PHE  H       7 PHE  HB2     3.27            #peak 11
  6 ALA  HA      7 PHE  H       3.33            #peak 12
  9 PHE  HA     10 ARG  H       3.30            #peak 16
 10 ARG  H      10 ARG  HB2     4.17            #peak 18
 10 ARG  H      10 ARG  HB3     4.17            #peak 19
  9 PHE  HB3    10 ARG  H       5.10            #peak 21
  9 PHE  HB2    10 ARG  H       4.48            #peak 22
 10 ARG  HA     11 ARG  H       2.90            #peak 24
 11 ARG  HA     12 ASP  H       2.83            #peak 31
  1 GLY  H      12 ASP  HA      3.36            #peak 33
 12 ASP  H      12 ASP  HB2     3.76            #peak 34
 12 ASP  H      12 ASP  HB3     3.76            #peak 35
  2 SER  HA      3 CYSS H       3.14            #peak 41
  2 SER  HB2     3 CYSS H       4.45            #peak 43
  2 SER  HB3     3 CYSS H       4.45            #peak 44
  2 SER  H       2 SER  HB2     3.64            #peak 45
  2 SER  H       2 SER  HB3     3.64            #peak 46
  3 CYSS H       3 CYSS HB2     3.55            #peak 47
  3 CYSS H       3 CYSS HB3     3.48            #peak 48
  3 CYSS HA      4 PHE  H       2.99            #peak 49
  4 PHE  HA      5 GLY  H       3.21            #peak 51
  1 GLY  H       2 SER  H       3.58            #peak 56
  1 GLY  H      12 ASP  H       3.64            #peak 57
  3 CYSS H       4 PHE  H       4.82            #peak 61
  7 PHE  H       8 CYSS H       3.30            #peak 64
  8 CYSS H       9 PHE  H       4.14            #peak 65
  8 CYSS HB3     9 PHE  H       4.11            #peak 67
  4 PHE  H       8 CYSS HB3     4.79            #peak 69
  3 CYSS HB2     4 PHE  H       3.92            #peak 70
  4 PHE  H       8 CYSS HA      3.79            #peak 71
  4 PHE  HB2     5 GLY  H       4.91            #peak 73
  4 PHE  HB3     5 GLY  H       4.79            #peak 74
  1 GLY  H      11 ARG  HA      4.38            #peak 76
 11 ARG  HB2    12 ASP  H       4.91            #peak 78
 11 ARG  HB3    12 ASP  H       4.91            #peak 80
  7 PHE  HB3     8 CYSS H       5.31            #peak 91
  6 ALA  HA      8 CYSS H       5.16            #peak 105
  2 SER  H      12 ASP  HA      5.34            #peak 111
 10 ARG  HB2    11 ARG  H       3.95            #peak 180
 10 ARG  HB3    11 ARG  H       3.95            #peak 181
  9 PHE  H      10 ARG  H       3.39            #peak 185
 11 ARG  H      12 ASP  H       3.73            #peak 194
 10 ARG  H      11 ARG  H       4.66            #peak 195
  1 GLY  H       3 CYSS H       5.16            #peak 197
  6 ALA  H       7 PHE  H       3.17            #peak 200
  4 PHE  H       5 GLY  H       3.86            #peak 201
  2 SER  H       3 CYSS H       3.27            #peak 202
  7 PHE  HB2     8 CYSS H       4.85            #peak 205
  3 CYSS HB3     4 PHE  H       5.50            #peak 305
  5 GLY  H       8 CYSS HB2     4.45            #peak 307
 10 ARG  H      10 ARG  QD      6.38            #peak 23
 11 ARG  H      11 ARG  QD      6.38            #peak 30
  2 SER  H      12 ASP  HB3     5.50            #peak 82
  9 PHE  HA      9 PHE  QD      7.63            #peak 101
  7 PHE  HA      7 PHE  QD      7.07            #peak 103
  4 PHE  HA      4 PHE  QD      7.63            #peak 104
  3 CYSS HB2     8 CYSS H       5.50            #peak 106
  2 SER  H      12 ASP  HB2     5.50            #peak 113
 10 ARG  HA     10 ARG  QD      6.38            #peak 121
 11 ARG  HA     11 ARG  QD      6.38            #peak 140
  2 SER  H      10 ARG  HB2     5.50            #peak 150
  2 SER  H      10 ARG  HB3     5.50            #peak 151
  4 PHE  H       4 PHE  QD      7.63            #peak 157
 11 ARG  H      11 ARG  HG2     5.50            #peak 184
 11 ARG  H      11 ARG  HG3     5.50            #peak 187
  9 PHE  H       9 PHE  QD      7.63            #peak 190
  7 PHE  H       7 PHE  QD      7.63            #peak 191
  3 CYSS HB2     8 CYSS HB3     4.97            #peak 208
  3 CYSS HB2     8 CYSS HA      5.50            #peak 215
  3 CYSS HA      8 CYSS HB2     5.04            #peak 217
  3 CYSS HB3     8 CYSS HA      4.69            #peak 218
  6 ALA  QB      7 PHE  H       5.62            #peak 15
  6 ALA  QB      7 PHE  QD      8.65            #peak 84
  6 ALA  QB      8 CYSS H       6.52            #peak 107
  5 GLY  HA3     6 ALA  QB      6.52            #peak 169
  5 GLY  HA2     6 ALA  QB      6.52            #peak 171
  1 GLY  H      12 ASP  QB      4.53            #peak 72
  1 GLY  QA      2 SER  H       3.08            #peak 38
  1 GLY  QA      3 CYSS H       5.34            #peak 109
  2 SER  H       2 SER  QB      3.14            #peak 46
  2 SER  QB      3 CYSS H       3.81            #peak 43
  5 GLY  QA      6 ALA  H       2.73            #peak 188
  5 GLY  QA      7 PHE  H       3.81            #peak 110
  9 PHE  H      10 ARG  QG      5.34            #peak 183
 10 ARG  H      10 ARG  QB      3.34            #peak 19
 10 ARG  H      10 ARG  QG      4.73            #peak 20
 10 ARG  HA     10 ARG  QG      3.72            #peak 118
 10 ARG  QB     10 ARG  QG      2.16            #peak 146
 10 ARG  QB     10 ARG  QD      2.99            #peak 163
 10 ARG  QB     11 ARG  H       3.12            #peak 181
 10 ARG  QB     12 ASP  H       4.41            #peak 79
 10 ARG  QG     11 ARG  H       5.34            #peak 182
 11 ARG  H      11 ARG  QB      3.41            #peak 26
 11 ARG  QB     11 ARG  QD      3.33            #peak 164
 11 ARG  QB     12 ASP  H       4.17            #peak 78

Dihedral angles
2   SER  PHI     -180    -20
3   CYSS PHI     -150    -50
4   PHE  PHI     -150    -90
6   ALA  PHI     -82.1   -42.1
6   ALA  PSI     -61.3    -7.2
7   PHE  PHI    -138.9   -46.7
7   PHE  PSI     -57.0    35.4
8   CYSS  PHI    -101.3   -61.3
8   CYSS  PSI     -27.5    16.2
9   PHE  PHI    -159.3   -45.2
9   PHE  PSI      62.4   188.9
10   ARG  PHI      -180    -20
11   ARG  PHI    -107.1   -63.6
12   ASP  PHI     -180    -20
3    CYSS CHI1    -210    -150
4    PHE  CHI1    -90    -30
7    PHE  CHI1    -90    -30
8    CYSS CHI1   -210    -150
9    PHE  CHI1   -90     -30
12   ASP  CHI1   30       90

Hydrogen bonds
4 PHE H 7 PHE O 2.30
4 PHE N 7 PHE O 3.30
7 PHE H 4 PHE O 2.30
7 PHE N 4 PHE O 3.30
8 CYSS H 5 GLY O 2.30
8 CYSS N 5 GLY O 3.30
3 CYSS H 1 GLY O 2.30
3 CYSS N 1 GLY O 3.30
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -4.533  -0.794  -2.891
    2    HA2  GLY   1           2HA      GLY   1  -3.300  -2.058  -4.408
    3    HA3  GLY   1           3HA      GLY   1  -4.173  -1.024  -5.528
    4    H    SER   2           H        SER   2  -2.296   1.021  -3.814
    5    HA   SER   2           HA       SER   2  -0.324   1.143  -5.954
    6    HB3  SER   2           2HB      SER   2   0.344   3.274  -4.588
    7    HG   SER   2           HG       SER   2  -2.156   3.041  -5.913
    8    H    CYS   3           H        CYS   3   0.070  -1.089  -4.443
    9    HA   CYS   3           HA       CYS   3   1.679  -0.950  -2.207
   10    HB3  CYS   3           2HB      CYS   3   1.509  -2.917  -4.469
   11    H    PHE   4           H        PHE   4   3.752  -0.454  -1.788
   12    HA   PHE   4           HA       PHE   4   5.693  -0.270  -3.939
   13    HB3  PHE   4           2HB      PHE   4   6.325   2.081  -3.001
   14    HD1  PHE   4           1HD      PHE   4   6.357   1.071  -5.583
   15    HD2  PHE   4           2HD      PHE   4   3.261   3.330  -3.733
   16    HE1  PHE   4           1HE      PHE   4   5.588   1.822  -7.797
   17    HE2  PHE   4           2HE      PHE   4   2.484   4.083  -5.942
   18    HZ   PHE   4           HZ       PHE   4   3.648   3.330  -7.978
   19    H    GLY   5           H        GLY   5   6.533  -2.060  -2.687
   20    HA2  GLY   5           2HA      GLY   5   7.934  -2.998  -1.126
   21    HA3  GLY   5           3HA      GLY   5   8.696  -1.414  -1.083
   22    H    ALA   6           H        ALA   6   8.553  -0.239   0.730
   23    HA   ALA   6           HA       ALA   6   7.552  -1.378   3.099
   24    HB1  ALA   6           1HB      ALA   6   9.396   0.269   2.997
   25    HB2  ALA   6           2HB      ALA   6   8.215   1.522   2.610
   26    HB3  ALA   6           3HB      ALA   6   8.147   0.697   4.168
   27    H    PHE   7           H        PHE   7   5.983   0.326   0.615
   28    HA   PHE   7           HA       PHE   7   3.706   0.953   2.371
   29    HB3  PHE   7           2HB      PHE   7   2.986   2.345   0.302
   30    HD1  PHE   7           2HD      PHE   7   2.935   2.945   3.005
   31    HD2  PHE   7           1HD      PHE   7   5.950   3.993   0.189
   32    HE1  PHE   7           2HE      PHE   7   3.587   4.850   4.418
   33    HE2  PHE   7           1HE      PHE   7   6.608   5.900   1.599
   34    HZ   PHE   7           HZ       PHE   7   5.425   6.331   3.715
   35    H    CYS   8           H        CYS   8   4.223  -1.695   1.455
   36    HA   CYS   8           HA       CYS   8   2.291  -2.158  -0.680
   37    HB3  CYS   8           2HB      CYS   8   3.713  -4.355   0.777
   38    H    PHE   9           H        PHE   9   1.746  -1.341   2.246
   39    HA   PHE   9           HA       PHE   9  -0.386  -3.318   2.665
   40    HB3  PHE   9           2HB      PHE   9  -0.026  -3.185   5.101
   41    HD1  PHE   9           1HD      PHE   9   0.050  -5.523   4.032
   42    HD2  PHE   9           2HD      PHE   9   3.475  -3.056   4.577
   43    HE1  PHE   9           1HE      PHE   9   1.500  -7.504   3.858
   44    HE2  PHE   9           2HE      PHE   9   4.931  -5.032   4.404
   45    HZ   PHE   9           HZ       PHE   9   3.944  -7.260   4.043
   46    H    ARG  10           H        ARG  10  -1.524  -1.562   1.472
   47    HA   ARG  10           HA       ARG  10  -2.769   0.233   3.388
   48    HB3  ARG  10           2HB      ARG  10  -2.550   2.050   1.461
   49    HG3  ARG  10           2HG      ARG  10  -0.004   1.956   2.872
   50    HD3  ARG  10           2HD      ARG  10  -1.228   3.948   1.855
   51    HE   ARG  10           HE       ARG  10  -3.140   3.319   3.873
   52   HH11  ARG  10          1HH1      ARG  10  -1.613   5.958   2.190
   53   HH12  ARG  10          2HH1      ARG  10  -2.939   7.047   2.426
   54   HH21  ARG  10          1HH2      ARG  10  -4.893   4.745   4.190
   55   HH22  ARG  10          2HH2      ARG  10  -4.803   6.356   3.565
   56    H    ARG  11           H        ARG  11  -4.673   1.374   2.380
   57    HA   ARG  11           HA       ARG  11  -6.108  -0.545   0.723
   58    HB3  ARG  11           2HB      ARG  11  -8.107   0.657   1.354
   59    HG3  ARG  11           2HG      ARG  11  -7.238   0.954   4.000
   60    HD3  ARG  11           2HD      ARG  11  -8.572  -1.226   2.432
   61    HE   ARG  11           HE       ARG  11  -7.411  -1.649   4.949
   62   HH11  ARG  11          1HH1      ARG  11 -10.457  -2.042   3.310
   63   HH12  ARG  11          2HH1      ARG  11 -10.955  -3.386   4.282
   64   HH21  ARG  11          1HH2      ARG  11  -8.058  -3.418   6.238
   65   HH22  ARG  11          2HH2      ARG  11  -9.591  -4.166   5.949
   66    H    ASP  12           H        ASP  12  -4.577   0.170  -1.074
   67    HA   ASP  12           HA       ASP  12  -5.939   2.255  -2.623
   68    HB3  ASP  12           2HB      ASP  12  -4.134   3.562  -2.073
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -4.512  -0.799  -2.882
    2    HA2  GLY   1           2HA      GLY   1  -3.304  -2.041  -4.431
    3    HA3  GLY   1           3HA      GLY   1  -4.177  -0.989  -5.536
    4    H    SER   2           H        SER   2  -2.302   1.034  -3.804
    5    HA   SER   2           HA       SER   2  -0.322   1.173  -5.935
    6    HB3  SER   2           2HB      SER   2   0.341   3.295  -4.553
    7    HG   SER   2           HG       SER   2  -2.143   3.051  -5.903
    8    H    CYS   3           H        CYS   3   0.065  -1.069  -4.437
    9    HA   CYS   3           HA       CYS   3   1.672  -0.936  -2.194
   10    HB3  CYS   3           2HB      CYS   3   1.487  -2.907  -4.452
   11    H    PHE   4           H        PHE   4   3.750  -0.454  -1.781
   12    HA   PHE   4           HA       PHE   4   5.689  -0.287  -3.938
   13    HB3  PHE   4           2HB      PHE   4   6.296   2.077  -2.852
   14    HD1  PHE   4           1HD      PHE   4   6.869   1.283  -5.354
   15    HD2  PHE   4           2HD      PHE   4   3.231   3.089  -4.087
   16    HE1  PHE   4           1HE      PHE   4   6.443   2.031  -7.659
   17    HE2  PHE   4           2HE      PHE   4   2.797   3.840  -6.389
   18    HZ   PHE   4           HZ       PHE   4   4.405   3.311  -8.180
   19    H    GLY   5           H        GLY   5   6.523  -2.079  -2.685
   20    HA2  GLY   5           2HA      GLY   5   7.920  -3.023  -1.127
   21    HA3  GLY   5           3HA      GLY   5   8.689  -1.443  -1.086
   22    H    ALA   6           H        ALA   6   8.561  -0.272   0.731
   23    HA   ALA   6           HA       ALA   6   7.554  -1.404   3.101
   24    HB1  ALA   6           1HB      ALA   6   9.370   0.123   3.243
   25    HB2  ALA   6           2HB      ALA   6   8.440   1.400   2.458
   26    HB3  ALA   6           3HB      ALA   6   8.003   0.861   4.078
   27    H    PHE   7           H        PHE   7   5.994   0.316   0.618
   28    HA   PHE   7           HA       PHE   7   3.727   0.962   2.378
   29    HB3  PHE   7           2HB      PHE   7   2.995   2.502   0.582
   30    HD1  PHE   7           2HD      PHE   7   3.183   3.888   2.563
   31    HD2  PHE   7           1HD      PHE   7   6.605   2.877   0.244
   32    HE1  PHE   7           2HE      PHE   7   4.463   5.665   3.686
   33    HE2  PHE   7           1HE      PHE   7   7.892   4.652   1.365
   34    HZ   PHE   7           HZ       PHE   7   6.820   6.049   3.087
   35    H    CYS   8           H        CYS   8   4.220  -1.693   1.463
   36    HA   CYS   8           HA       CYS   8   2.281  -2.144  -0.668
   37    HB3  CYS   8           2HB      CYS   8   3.686  -4.350   0.796
   38    H    PHE   9           H        PHE   9   1.747  -1.315   2.258
   39    HA   PHE   9           HA       PHE   9  -0.386  -3.290   2.695
   40    HB3  PHE   9           2HB      PHE   9  -0.040  -3.026   5.152
   41    HD1  PHE   9           2HD      PHE   9  -0.104  -5.424   4.694
   42    HD2  PHE   9           1HD      PHE   9   3.432  -3.137   4.078
   43    HE1  PHE   9           2HE      PHE   9   1.217  -7.497   4.601
   44    HE2  PHE   9           1HE      PHE   9   4.759  -5.206   3.985
   45    HZ   PHE   9           HZ       PHE   9   3.652  -7.390   4.248
   46    H    ARG  10           H        ARG  10  -1.421  -1.474   1.403
   47    HA   ARG  10           HA       ARG  10  -2.730   0.320   3.293
   48    HB3  ARG  10           2HB      ARG  10  -2.505   2.193   1.562
   49    HG3  ARG  10           2HG      ARG  10   0.251   1.859   2.375
   50    HD3  ARG  10           2HD      ARG  10  -1.996   3.761   2.746
   51    HE   ARG  10           HE       ARG  10   0.267   4.447   4.366
   52   HH11  ARG  10          1HH1      ARG  10  -2.814   2.826   4.331
   53   HH12  ARG  10          2HH1      ARG  10  -3.079   3.013   6.034
   54   HH21  ARG  10          1HH2      ARG  10  -0.071   4.700   6.608
   55   HH22  ARG  10          2HH2      ARG  10  -1.518   4.080   7.326
   56    H    ARG  11           H        ARG  11  -4.718   1.247   2.446
   57    HA   ARG  11           HA       ARG  11  -6.083  -0.641   0.723
   58    HB3  ARG  11           2HB      ARG  11  -8.110   0.523   1.365
   59    HG3  ARG  11           2HG      ARG  11  -6.980   0.755   4.006
   60    HD3  ARG  11           2HD      ARG  11  -8.586  -1.563   3.035
   61    HE   ARG  11           HE       ARG  11  -9.354  -0.079   5.382
   62   HH11  ARG  11          1HH1      ARG  11  -7.342  -2.619   4.109
   63   HH12  ARG  11          2HH1      ARG  11  -7.172  -3.427   5.632
   64   HH21  ARG  11          1HH2      ARG  11  -9.138  -1.132   7.392
   65   HH22  ARG  11          2HH2      ARG  11  -8.194  -2.579   7.499
   66    H    ASP  12           H        ASP  12  -4.529   0.176  -1.046
   67    HA   ASP  12           HA       ASP  12  -5.968   2.223  -2.582
   68    HB3  ASP  12           2HB      ASP  12  -4.181   3.556  -2.037
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -4.498  -0.770  -2.855
    2    HA2  GLY   1           2HA      GLY   1  -3.322  -2.010  -4.426
    3    HA3  GLY   1           3HA      GLY   1  -4.189  -0.933  -5.515
    4    H    SER   2           H        SER   2  -2.296   1.068  -3.795
    5    HA   SER   2           HA       SER   2  -0.315   1.184  -5.928
    6    HB3  SER   2           2HB      SER   2   0.364   3.304  -4.552
    7    HG   SER   2           HG       SER   2  -0.664   3.603  -6.475
    8    H    CYS   3           H        CYS   3   0.055  -1.057  -4.423
    9    HA   CYS   3           HA       CYS   3   1.670  -0.923  -2.183
   10    HB3  CYS   3           2HB      CYS   3   1.458  -2.908  -4.426
   11    H    PHE   4           H        PHE   4   3.754  -0.460  -1.780
   12    HA   PHE   4           HA       PHE   4   5.687  -0.327  -3.943
   13    HB3  PHE   4           2HB      PHE   4   6.326   2.036  -2.885
   14    HD1  PHE   4           2HD      PHE   4   6.827   1.167  -5.401
   15    HD2  PHE   4           1HD      PHE   4   3.285   3.124  -4.078
   16    HE1  PHE   4           2HE      PHE   4   6.377   1.903  -7.706
   17    HE2  PHE   4           1HE      PHE   4   2.831   3.864  -6.380
   18    HZ   PHE   4           HZ       PHE   4   4.378   3.254  -8.197
   19    H    GLY   5           H        GLY   5   6.504  -2.122  -2.679
   20    HA2  GLY   5           2HA      GLY   5   7.897  -3.069  -1.117
   21    HA3  GLY   5           3HA      GLY   5   8.685  -1.497  -1.093
   22    H    ALA   6           H        ALA   6   8.572  -0.305   0.710
   23    HA   ALA   6           HA       ALA   6   7.566  -1.403   3.096
   24    HB1  ALA   6           1HB      ALA   6   7.988   1.526   2.957
   25    HB2  ALA   6           2HB      ALA   6   8.556   0.351   4.144
   26    HB3  ALA   6           3HB      ALA   6   9.367   0.490   2.583
   27    H    PHE   7           H        PHE   7   6.011   0.306   0.602
   28    HA   PHE   7           HA       PHE   7   3.756   0.988   2.366
   29    HB3  PHE   7           2HB      PHE   7   3.046   2.563   0.635
   30    HD1  PHE   7           2HD      PHE   7   3.902   3.286   3.090
   31    HD2  PHE   7           1HD      PHE   7   6.189   3.424  -0.498
   32    HE1  PHE   7           2HE      PHE   7   5.354   5.004   4.086
   33    HE2  PHE   7           1HE      PHE   7   7.645   5.142   0.493
   34    HZ   PHE   7           HZ       PHE   7   7.228   5.935   2.787
   35    H    CYS   8           H        CYS   8   4.222  -1.678   1.471
   36    HA   CYS   8           HA       CYS   8   2.272  -2.128  -0.650
   37    HB3  CYS   8           2HB      CYS   8   3.661  -4.335   0.825
   38    H    PHE   9           H        PHE   9   1.756  -1.272   2.271
   39    HA   PHE   9           HA       PHE   9  -0.374  -3.245   2.748
   40    HB3  PHE   9           2HB      PHE   9  -0.011  -3.174   5.112
   41    HD1  PHE   9           1HD      PHE   9   0.590  -5.449   4.288
   42    HD2  PHE   9           2HD      PHE   9   3.431  -2.288   4.537
   43    HE1  PHE   9           1HE      PHE   9   2.419  -7.089   4.169
   44    HE2  PHE   9           2HE      PHE   9   5.266  -3.925   4.418
   45    HZ   PHE   9           HZ       PHE   9   4.761  -6.327   4.232
   46    H    ARG  10           H        ARG  10  -1.407  -1.469   1.386
   47    HA   ARG  10           HA       ARG  10  -2.746   0.370   3.216
   48    HB3  ARG  10           2HB      ARG  10  -2.549   2.139   1.324
   49    HG3  ARG  10           2HG      ARG  10   0.069   1.665   2.679
   50    HD3  ARG  10           2HD      ARG  10  -1.533   4.190   2.616
   51    HE   ARG  10           HE       ARG  10   0.941   3.668   3.610
   52   HH11  ARG  10          1HH1      ARG  10  -0.270   5.683   1.043
   53   HH12  ARG  10          2HH1      ARG  10   0.988   6.865   1.200
   54   HH21  ARG  10          1HH2      ARG  10   2.602   5.217   3.828
   55   HH22  ARG  10          2HH2      ARG  10   2.621   6.598   2.784
   56    H    ARG  11           H        ARG  11  -4.773   1.170   2.406
   57    HA   ARG  11           HA       ARG  11  -6.091  -0.767   0.711
   58    HB3  ARG  11           2HB      ARG  11  -8.147   0.343   1.355
   59    HG3  ARG  11           2HG      ARG  11  -8.021   0.289   3.819
   60    HD3  ARG  11           2HD      ARG  11  -6.496  -2.072   3.482
   61    HE   ARG  11           HE       ARG  11  -9.155  -1.434   4.138
   62   HH11  ARG  11          1HH1      ARG  11  -7.265  -4.006   2.748
   63   HH12  ARG  11          2HH1      ARG  11  -8.346  -5.257   3.264
   64   HH21  ARG  11          1HH2      ARG  11 -10.586  -3.073   4.825
   65   HH22  ARG  11          2HH2      ARG  11 -10.237  -4.725   4.445
   66    H    ASP  12           H        ASP  12  -4.375   0.323  -0.933
   67    HA   ASP  12           HA       ASP  12  -5.940   2.255  -2.515
   68    HB3  ASP  12           2HB      ASP  12  -4.143   3.583  -1.998
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -4.489  -0.776  -2.868
    2    HA2  GLY   1           2HA      GLY   1  -3.317  -1.996  -4.455
    3    HA3  GLY   1           3HA      GLY   1  -4.180  -0.912  -5.536
    4    H    SER   2           H        SER   2  -2.298   1.075  -3.784
    5    HA   SER   2           HA       SER   2  -0.309   1.220  -5.905
    6    HB3  SER   2           2HB      SER   2   0.358   3.326  -4.502
    7    HG   SER   2           HG       SER   2  -1.018   4.460  -5.735
    8    H    CYS   3           H        CYS   3   0.058  -1.036  -4.421
    9    HA   CYS   3           HA       CYS   3   1.671  -0.909  -2.175
   10    HB3  CYS   3           2HB      CYS   3   1.439  -2.897  -4.411
   11    H    PHE   4           H        PHE   4   3.760  -0.458  -1.777
   12    HA   PHE   4           HA       PHE   4   5.687  -0.344  -3.946
   13    HB3  PHE   4           2HB      PHE   4   6.391   1.995  -3.103
   14    HD1  PHE   4           2HD      PHE   4   6.127   0.865  -5.666
   15    HD2  PHE   4           1HD      PHE   4   3.399   3.420  -3.628
   16    HE1  PHE   4           2HE      PHE   4   5.222   1.617  -7.827
   17    HE2  PHE   4           1HE      PHE   4   2.489   4.175  -5.786
   18    HZ   PHE   4           HZ       PHE   4   3.401   3.274  -7.888
   19    H    GLY   5           H        GLY   5   6.496  -2.139  -2.680
   20    HA2  GLY   5           2HA      GLY   5   7.886  -3.092  -1.120
   21    HA3  GLY   5           3HA      GLY   5   8.685  -1.526  -1.102
   22    H    ALA   6           H        ALA   6   8.585  -0.331   0.701
   23    HA   ALA   6           HA       ALA   6   7.577  -1.420   3.091
   24    HB1  ALA   6           1HB      ALA   6   8.014   0.932   3.983
   25    HB2  ALA   6           2HB      ALA   6   9.386   0.051   3.310
   26    HB3  ALA   6           3HB      ALA   6   8.593   1.308   2.360
   27    H    PHE   7           H        PHE   7   6.028   0.296   0.600
   28    HA   PHE   7           HA       PHE   7   3.783   0.997   2.366
   29    HB3  PHE   7           2HB      PHE   7   3.082   2.580   0.647
   30    HD1  PHE   7           2HD      PHE   7   3.541   3.979   2.573
   31    HD2  PHE   7           1HD      PHE   7   6.665   2.711  -0.024
   32    HE1  PHE   7           2HE      PHE   7   5.031   5.680   3.542
   33    HE2  PHE   7           1HE      PHE   7   8.160   4.409   0.940
   34    HZ   PHE   7           HZ       PHE   7   7.345   5.897   2.726
   35    H    CYS   8           H        CYS   8   4.228  -1.675   1.476
   36    HA   CYS   8           HA       CYS   8   2.267  -2.114  -0.639
   37    HB3  CYS   8           2HB      CYS   8   3.647  -4.330   0.836
   38    H    PHE   9           H        PHE   9   1.766  -1.250   2.282
   39    HA   PHE   9           HA       PHE   9  -0.365  -3.218   2.777
   40    HB3  PHE   9           2HB      PHE   9  -0.032  -2.857   5.217
   41    HD1  PHE   9           1HD      PHE   9  -0.031  -5.285   4.517
   42    HD2  PHE   9           2HD      PHE   9   3.474  -2.870   4.505
   43    HE1  PHE   9           1HE      PHE   9   1.360  -7.313   4.514
   44    HE2  PHE   9           2HE      PHE   9   4.872  -4.894   4.502
   45    HZ   PHE   9           HZ       PHE   9   3.816  -7.120   4.505
   46    H    ARG  10           H        ARG  10  -1.401  -1.459   1.389
   47    HA   ARG  10           HA       ARG  10  -2.753   0.394   3.194
   48    HB3  ARG  10           2HB      ARG  10  -2.547   2.191   1.393
   49    HG3  ARG  10           2HG      ARG  10  -0.239   2.872   2.041
   50    HD3  ARG  10           2HD      ARG  10  -2.516   2.439   3.751
   51    HE   ARG  10           HE       ARG  10  -1.407   1.618   5.566
   52   HH11  ARG  10          1HH1      ARG  10   0.674   3.861   3.907
   53   HH12  ARG  10          2HH1      ARG  10   1.912   3.809   5.117
   54   HH21  ARG  10          1HH2      ARG  10   0.216   1.540   7.167
   55   HH22  ARG  10          2HH2      ARG  10   1.653   2.488   6.971
   56    H    ARG  11           H        ARG  11  -4.794   1.126   2.415
   57    HA   ARG  11           HA       ARG  11  -6.081  -0.808   0.698
   58    HB3  ARG  11           2HB      ARG  11  -8.137   0.598   1.255
   59    HG3  ARG  11           2HG      ARG  11  -6.710  -0.336   3.722
   60    HD3  ARG  11           2HD      ARG  11  -9.587  -0.301   2.830
   61    HE   ARG  11           HE       ARG  11  -8.485  -2.113   4.619
   62   HH11  ARG  11          1HH1      ARG  11 -10.982   0.311   4.593
   63   HH12  ARG  11          2HH1      ARG  11 -11.953  -0.490   5.783
   64   HH21  ARG  11          1HH2      ARG  11  -9.753  -3.177   6.186
   65   HH22  ARG  11          2HH2      ARG  11 -11.252  -2.473   6.691
   66    H    ASP  12           H        ASP  12  -4.397   0.295  -0.954
   67    HA   ASP  12           HA       ASP  12  -5.989   2.219  -2.518
   68    HB3  ASP  12           2HB      ASP  12  -4.215   3.577  -1.995
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -4.479  -0.733  -2.810
    2    HA2  GLY   1           2HA      GLY   1  -3.331  -2.001  -4.377
    3    HA3  GLY   1           3HA      GLY   1  -4.199  -0.940  -5.477
    4    H    SER   2           H        SER   2  -2.284   1.076  -3.795
    5    HA   SER   2           HA       SER   2  -0.318   1.156  -5.942
    6    HB3  SER   2           2HB      SER   2   0.382   3.288  -4.595
    7    HG   SER   2           HG       SER   2  -1.872   4.153  -5.456
    8    H    CYS   3           H        CYS   3   0.050  -1.068  -4.410
    9    HA   CYS   3           HA       CYS   3   1.672  -0.927  -2.182
   10    HB3  CYS   3           2HB      CYS   3   1.463  -2.918  -4.419
   11    H    PHE   4           H        PHE   4   3.758  -0.461  -1.782
   12    HA   PHE   4           HA       PHE   4   5.687  -0.330  -3.948
   13    HB3  PHE   4           2HB      PHE   4   6.329   2.035  -2.908
   14    HD1  PHE   4           2HD      PHE   4   6.758   1.112  -5.440
   15    HD2  PHE   4           1HD      PHE   4   3.303   3.169  -4.047
   16    HE1  PHE   4           2HE      PHE   4   6.272   1.844  -7.737
   17    HE2  PHE   4           1HE      PHE   4   2.812   3.906  -6.342
   18    HZ   PHE   4           HZ       PHE   4   4.298   3.244  -8.191
   19    H    GLY   5           H        GLY   5   6.510  -2.118  -2.682
   20    HA2  GLY   5           2HA      GLY   5   7.907  -3.062  -1.121
   21    HA3  GLY   5           3HA      GLY   5   8.691  -1.489  -1.098
   22    H    ALA   6           H        ALA   6   8.579  -0.299   0.707
   23    HA   ALA   6           HA       ALA   6   7.574  -1.399   3.091
   24    HB1  ALA   6           1HB      ALA   6   9.401   0.112   3.220
   25    HB2  ALA   6           2HB      ALA   6   8.487   1.387   2.415
   26    HB3  ALA   6           3HB      ALA   6   8.043   0.877   4.043
   27    H    PHE   7           H        PHE   7   6.018   0.311   0.600
   28    HA   PHE   7           HA       PHE   7   3.763   0.993   2.364
   29    HB3  PHE   7           2HB      PHE   7   3.040   2.412   0.356
   30    HD1  PHE   7           1HD      PHE   7   6.613   2.644   1.399
   31    HD2  PHE   7           2HD      PHE   7   2.695   4.291   1.631
   32    HE1  PHE   7           1HE      PHE   7   7.485   4.524   2.723
   33    HE2  PHE   7           2HE      PHE   7   3.562   6.175   2.956
   34    HZ   PHE   7           HZ       PHE   7   5.960   6.293   3.501
   35    H    CYS   8           H        CYS   8   4.230  -1.675   1.475
   36    HA   CYS   8           HA       CYS   8   2.276  -2.130  -0.644
   37    HB3  CYS   8           2HB      CYS   8   3.668  -4.334   0.833
   38    H    PHE   9           H        PHE   9   1.764  -1.269   2.275
   39    HA   PHE   9           HA       PHE   9  -0.358  -3.247   2.763
   40    HB3  PHE   9           2HB      PHE   9  -0.017  -3.055   5.161
   41    HD1  PHE   9           2HD      PHE   9   0.355  -5.413   4.492
   42    HD2  PHE   9           1HD      PHE   9   3.471  -2.515   4.408
   43    HE1  PHE   9           2HE      PHE   9   2.026  -7.218   4.415
   44    HE2  PHE   9           1HE      PHE   9   5.147  -4.315   4.330
   45    HZ   PHE   9           HZ       PHE   9   4.426  -6.670   4.335
   46    H    ARG  10           H        ARG  10  -1.431  -1.509   1.401
   47    HA   ARG  10           HA       ARG  10  -2.744   0.363   3.215
   48    HB3  ARG  10           2HB      ARG  10  -2.597   2.006   1.127
   49    HG3  ARG  10           2HG      ARG  10  -0.172   1.777   2.880
   50    HD3  ARG  10           2HD      ARG  10  -0.435   3.530   1.021
   51    HE   ARG  10           HE       ARG  10  -2.756   4.191   2.477
   52   HH11  ARG  10          1HH1      ARG  10  -0.013   5.677   0.931
   53   HH12  ARG  10          2HH1      ARG  10  -0.844   7.158   0.590
   54   HH21  ARG  10          1HH2      ARG  10  -3.860   6.136   2.031
   55   HH22  ARG  10          2HH2      ARG  10  -3.031   7.418   1.216
   56    H    ARG  11           H        ARG  11  -4.739   1.275   2.275
   57    HA   ARG  11           HA       ARG  11  -6.111  -0.767   0.718
   58    HB3  ARG  11           2HB      ARG  11  -7.344   1.729   1.868
   59    HG3  ARG  11           2HG      ARG  11  -8.560  -0.041   0.336
   60    HD3  ARG  11           2HD      ARG  11  -9.521  -1.237   2.807
   61    HE   ARG  11           HE       ARG  11  -9.253  -2.019   0.103
   62   HH11  ARG  11          1HH1      ARG  11  -9.309  -3.311   3.334
   63   HH12  ARG  11          2HH1      ARG  11  -9.905  -4.861   2.843
   64   HH21  ARG  11          1HH2      ARG  11 -10.037  -4.057  -0.555
   65   HH22  ARG  11          2HH2      ARG  11 -10.318  -5.286   0.630
   66    H    ASP  12           H        ASP  12  -4.309   0.468  -0.872
   67    HA   ASP  12           HA       ASP  12  -5.939   2.289  -2.519
   68    HB3  ASP  12           2HB      ASP  12  -4.142   3.634  -2.040
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -4.503  -0.775  -2.877
    2    HA2  GLY   1           2HA      GLY   1  -3.310  -2.002  -4.448
    3    HA3  GLY   1           3HA      GLY   1  -4.175  -0.926  -5.537
    4    H    SER   2           H        SER   2  -2.297   1.069  -3.782
    5    HA   SER   2           HA       SER   2  -0.308   1.218  -5.904
    6    HB3  SER   2           2HB      SER   2   0.358   3.324  -4.504
    7    HG   SER   2           HG       SER   2  -0.645   3.734  -6.385
    8    H    CYS   3           H        CYS   3   0.062  -1.040  -4.420
    9    HA   CYS   3           HA       CYS   3   1.675  -0.912  -2.175
   10    HB3  CYS   3           2HB      CYS   3   1.444  -2.898  -4.413
   11    H    PHE   4           H        PHE   4   3.763  -0.458  -1.780
   12    HA   PHE   4           HA       PHE   4   5.690  -0.342  -3.949
   13    HB3  PHE   4           2HB      PHE   4   6.370   2.012  -2.980
   14    HD1  PHE   4           1HD      PHE   4   6.531   0.984  -5.545
   15    HD2  PHE   4           2HD      PHE   4   3.359   3.288  -3.889
   16    HE1  PHE   4           1HE      PHE   4   5.894   1.724  -7.804
   17    HE2  PHE   4           2HE      PHE   4   2.717   4.031  -6.145
   18    HZ   PHE   4           HZ       PHE   4   3.983   3.248  -8.106
   19    H    GLY   5           H        GLY   5   6.501  -2.138  -2.684
   20    HA2  GLY   5           2HA      GLY   5   7.893  -3.090  -1.124
   21    HA3  GLY   5           3HA      GLY   5   8.691  -1.522  -1.106
   22    H    ALA   6           H        ALA   6   8.591  -0.328   0.697
   23    HA   ALA   6           HA       ALA   6   7.585  -1.417   3.085
   24    HB1  ALA   6           1HB      ALA   6   9.416   0.072   3.235
   25    HB2  ALA   6           2HB      ALA   6   8.541   1.347   2.387
   26    HB3  ALA   6           3HB      ALA   6   8.057   0.880   4.017
   27    H    PHE   7           H        PHE   7   6.034   0.297   0.596
   28    HA   PHE   7           HA       PHE   7   3.788   0.996   2.365
   29    HB3  PHE   7           2HB      PHE   7   3.068   2.433   0.380
   30    HD1  PHE   7           1HD      PHE   7   2.990   3.465   2.733
   31    HD2  PHE   7           2HD      PHE   7   6.460   3.457   0.269
   32    HE1  PHE   7           1HE      PHE   7   3.917   5.332   4.039
   33    HE2  PHE   7           2HE      PHE   7   7.394   5.323   1.572
   34    HZ   PHE   7           HZ       PHE   7   6.122   6.262   3.459
   35    H    CYS   8           H        CYS   8   4.235  -1.674   1.472
   36    HA   CYS   8           HA       CYS   8   2.274  -2.115  -0.641
   37    HB3  CYS   8           2HB      CYS   8   3.655  -4.327   0.835
   38    H    PHE   9           H        PHE   9   1.773  -1.250   2.280
   39    HA   PHE   9           HA       PHE   9  -0.362  -3.214   2.770
   40    HB3  PHE   9           2HB      PHE   9  -0.021  -2.964   5.185
   41    HD1  PHE   9           1HD      PHE   9   0.408  -5.149   3.396
   42    HD2  PHE   9           2HD      PHE   9   3.275  -2.854   5.546
   43    HE1  PHE   9           1HE      PHE   9   1.970  -7.050   3.335
   44    HE2  PHE   9           2HE      PHE   9   4.842  -4.748   5.490
   45    HZ   PHE   9           HZ       PHE   9   4.190  -6.851   4.382
   46    H    ARG  10           H        ARG  10  -1.471  -1.511   1.434
   47    HA   ARG  10           HA       ARG  10  -2.792   0.352   3.235
   48    HB3  ARG  10           2HB      ARG  10  -2.566   2.210   1.565
   49    HG3  ARG  10           2HG      ARG  10   0.022   1.198   2.719
   50    HD3  ARG  10           2HD      ARG  10   0.093   3.004   0.878
   51    HE   ARG  10           HE       ARG  10  -1.501   4.399   2.805
   52   HH11  ARG  10          1HH1      ARG  10   0.931   4.757   0.340
   53   HH12  ARG  10          2HH1      ARG  10   0.529   6.408   0.000
   54   HH21  ARG  10          1HH2      ARG  10  -2.039   6.572   2.366
   55   HH22  ARG  10          2HH2      ARG  10  -1.159   7.439   1.153
   56    H    ARG  11           H        ARG  11  -4.810   1.158   2.400
   57    HA   ARG  11           HA       ARG  11  -6.106  -0.783   0.683
   58    HB3  ARG  11           2HB      ARG  11  -8.149   0.681   1.221
   59    HG3  ARG  11           2HG      ARG  11  -6.829  -0.353   3.703
   60    HD3  ARG  11           2HD      ARG  11  -9.659  -0.639   2.724
   61    HE   ARG  11           HE       ARG  11  -8.372  -1.669   4.984
   62   HH11  ARG  11          1HH1      ARG  11 -11.259   0.082   4.138
   63   HH12  ARG  11          2HH1      ARG  11 -12.182  -0.539   5.466
   64   HH21  ARG  11          1HH2      ARG  11  -9.577  -2.496   6.736
   65   HH22  ARG  11          2HH2      ARG  11 -11.224  -2.004   6.944
   66    H    ASP  12           H        ASP  12  -4.415   0.287  -0.966
   67    HA   ASP  12           HA       ASP  12  -5.972   2.234  -2.534
   68    HB3  ASP  12           2HB      ASP  12  -4.190   3.575  -1.997
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -4.480  -0.790  -2.899
    2    HA2  GLY   1           2HA      GLY   1  -3.305  -1.973  -4.506
    3    HA3  GLY   1           3HA      GLY   1  -4.162  -0.875  -5.576
    4    H    SER   2           H        SER   2  -2.309   1.088  -3.768
    5    HA   SER   2           HA       SER   2  -0.298   1.282  -5.863
    6    HB3  SER   2           2HB      SER   2   0.345   3.364  -4.414
    7    HG   SER   2           HG       SER   2  -2.129   3.176  -5.794
    8    H    CYS   3           H        CYS   3   0.066  -1.001  -4.422
    9    HA   CYS   3           HA       CYS   3   1.674  -0.884  -2.159
   10    HB3  CYS   3           2HB      CYS   3   1.408  -2.876  -4.389
   11    H    PHE   4           H        PHE   4   3.768  -0.457  -1.773
   12    HA   PHE   4           HA       PHE   4   5.687  -0.373  -3.950
   13    HB3  PHE   4           2HB      PHE   4   6.401   1.975  -2.989
   14    HD1  PHE   4           2HD      PHE   4   6.676   1.115  -5.529
   15    HD2  PHE   4           1HD      PHE   4   3.278   3.109  -3.920
   16    HE1  PHE   4           2HE      PHE   4   6.047   1.856  -7.788
   17    HE2  PHE   4           1HE      PHE   4   2.641   3.851  -6.179
   18    HZ   PHE   4           HZ       PHE   4   4.027   3.226  -8.116
   19    H    GLY   5           H        GLY   5   6.480  -2.175  -2.681
   20    HA2  GLY   5           2HA      GLY   5   7.867  -3.139  -1.124
   21    HA3  GLY   5           3HA      GLY   5   8.684  -1.583  -1.114
   22    H    ALA   6           H        ALA   6   8.606  -0.379   0.684
   23    HA   ALA   6           HA       ALA   6   7.595  -1.447   3.082
   24    HB1  ALA   6           1HB      ALA   6   8.629   1.274   2.342
   25    HB2  ALA   6           2HB      ALA   6   8.071   0.893   3.972
   26    HB3  ALA   6           3HB      ALA   6   9.428   0.007   3.274
   27    H    PHE   7           H        PHE   7   6.057   0.278   0.591
   28    HA   PHE   7           HA       PHE   7   3.827   1.013   2.365
   29    HB3  PHE   7           2HB      PHE   7   3.115   2.524   0.511
   30    HD1  PHE   7           2HD      PHE   7   3.639   3.305   3.029
   31    HD2  PHE   7           1HD      PHE   7   6.341   3.511  -0.253
   32    HE1  PHE   7           2HE      PHE   7   4.888   5.088   4.174
   33    HE2  PHE   7           1HE      PHE   7   7.594   5.294   0.887
   34    HZ   PHE   7           HZ       PHE   7   6.869   6.086   3.103
   35    H    CYS   8           H        CYS   8   4.237  -1.666   1.483
   36    HA   CYS   8           HA       CYS   8   2.263  -2.091  -0.622
   37    HB3  CYS   8           2HB      CYS   8   3.621  -4.317   0.854
   38    H    PHE   9           H        PHE   9   1.785  -1.210   2.297
   39    HA   PHE   9           HA       PHE   9  -0.355  -3.165   2.818
   40    HB3  PHE   9           2HB      PHE   9   0.001  -2.987   5.189
   41    HD1  PHE   9           2HD      PHE   9   0.619  -5.213   3.820
   42    HD2  PHE   9           1HD      PHE   9   3.387  -2.287   5.196
   43    HE1  PHE   9           2HE      PHE   9   2.418  -6.892   3.763
   44    HE2  PHE   9           1HE      PHE   9   5.189  -3.961   5.140
   45    HZ   PHE   9           HZ       PHE   9   4.705  -6.267   4.424
   46    H    ARG  10           H        ARG  10  -1.416  -1.454   1.407
   47    HA   ARG  10           HA       ARG  10  -2.782   0.421   3.169
   48    HB3  ARG  10           2HB      ARG  10  -2.535   2.262   1.504
   49    HG3  ARG  10           2HG      ARG  10   0.253   1.512   2.206
   50    HD3  ARG  10           2HD      ARG  10  -0.291   3.717   1.249
   51    HE   ARG  10           HE       ARG  10  -2.495   3.779   2.813
   52   HH11  ARG  10          1HH1      ARG  10   0.334   5.795   2.587
   53   HH12  ARG  10          2HH1      ARG  10  -0.493   7.235   3.080
   54   HH21  ARG  10          1HH2      ARG  10  -3.596   5.669   3.463
   55   HH22  ARG  10          2HH2      ARG  10  -2.729   7.163   3.579
   56    H    ARG  11           H        ARG  11  -4.845   1.026   2.449
   57    HA   ARG  11           HA       ARG  11  -6.068  -0.879   0.666
   58    HB3  ARG  11           2HB      ARG  11  -8.167   0.414   1.244
   59    HG3  ARG  11           2HG      ARG  11  -6.544  -1.176   3.035
   60    HD3  ARG  11           2HD      ARG  11  -7.156   1.082   4.290
   61    HE   ARG  11           HE       ARG  11  -9.693   0.305   3.843
   62   HH11  ARG  11          1HH1      ARG  11  -7.748   0.462   6.725
   63   HH12  ARG  11          2HH1      ARG  11  -9.094   0.763   7.774
   64   HH21  ARG  11          1HH2      ARG  11 -11.473   0.701   5.212
   65   HH22  ARG  11          2HH2      ARG  11 -11.212   0.898   6.912
   66    H    ASP  12           H        ASP  12  -4.442   0.232  -0.993
   67    HA   ASP  12           HA       ASP  12  -6.057   2.162  -2.523
   68    HB3  ASP  12           2HB      ASP  12  -4.318   3.555  -1.972
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -4.459  -0.760  -2.863
    2    HA2  GLY   1           2HA      GLY   1  -3.310  -1.960  -4.470
    3    HA3  GLY   1           3HA      GLY   1  -4.164  -0.872  -5.553
    4    H    SER   2           H        SER   2  -2.302   1.100  -3.755
    5    HA   SER   2           HA       SER   2  -0.297   1.278  -5.859
    6    HB3  SER   2           2HB      SER   2   0.358   3.365  -4.420
    7    HG   SER   2           HG       SER   2  -1.148   4.540  -5.548
    8    H    CYS   3           H        CYS   3   0.062  -1.000  -4.406
    9    HA   CYS   3           HA       CYS   3   1.678  -0.881  -2.151
   10    HB3  CYS   3           2HB      CYS   3   1.401  -2.879  -4.373
   11    H    PHE   4           H        PHE   4   3.774  -0.457  -1.770
   12    HA   PHE   4           HA       PHE   4   5.688  -0.385  -3.954
   13    HB3  PHE   4           2HB      PHE   4   6.401   1.969  -2.962
   14    HD1  PHE   4           1HD      PHE   4   6.699   0.994  -5.502
   15    HD2  PHE   4           2HD      PHE   4   3.385   3.200  -3.998
   16    HE1  PHE   4           1HE      PHE   4   6.154   1.724  -7.787
   17    HE2  PHE   4           2HE      PHE   4   2.833   3.933  -6.282
   18    HZ   PHE   4           HZ       PHE   4   4.216   3.195  -8.179
   19    H    GLY   5           H        GLY   5   6.484  -2.183  -2.685
   20    HA2  GLY   5           2HA      GLY   5   7.873  -3.145  -1.127
   21    HA3  GLY   5           3HA      GLY   5   8.691  -1.592  -1.122
   22    H    ALA   6           H        ALA   6   8.622  -0.390   0.678
   23    HA   ALA   6           HA       ALA   6   7.610  -1.455   3.078
   24    HB1  ALA   6           1HB      ALA   6   8.130   0.829   4.004
   25    HB2  ALA   6           2HB      ALA   6   9.470   0.011   3.197
   26    HB3  ALA   6           3HB      ALA   6   8.594   1.299   2.369
   27    H    PHE   7           H        PHE   7   6.073   0.276   0.587
   28    HA   PHE   7           HA       PHE   7   3.850   1.020   2.366
   29    HB3  PHE   7           2HB      PHE   7   3.140   2.535   0.520
   30    HD1  PHE   7           2HD      PHE   7   3.788   3.218   3.087
   31    HD2  PHE   7           1HD      PHE   7   6.275   3.592  -0.346
   32    HE1  PHE   7           2HE      PHE   7   5.068   4.991   4.212
   33    HE2  PHE   7           1HE      PHE   7   7.559   5.368   0.773
   34    HZ   PHE   7           HZ       PHE   7   6.955   6.071   3.055
   35    H    CYS   8           H        CYS   8   4.249  -1.663   1.488
   36    HA   CYS   8           HA       CYS   8   2.268  -2.086  -0.611
   37    HB3  CYS   8           2HB      CYS   8   3.623  -4.312   0.869
   38    H    PHE   9           H        PHE   9   1.799  -1.197   2.309
   39    HA   PHE   9           HA       PHE   9  -0.331  -3.155   2.851
   40    HB3  PHE   9           2HB      PHE   9  -0.004  -2.785   5.257
   41    HD1  PHE   9           1HD      PHE   9   3.443  -2.538   4.011
   42    HD2  PHE   9           2HD      PHE   9   0.289  -5.149   5.171
   43    HE1  PHE   9           1HE      PHE   9   5.022  -4.425   4.041
   44    HE2  PHE   9           2HE      PHE   9   1.862  -7.040   5.204
   45    HZ   PHE   9           HZ       PHE   9   4.232  -6.681   4.640
   46    H    ARG  10           H        ARG  10  -1.410  -1.483   1.409
   47    HA   ARG  10           HA       ARG  10  -2.766   0.437   3.139
   48    HB3  ARG  10           2HB      ARG  10  -2.617   2.090   1.137
   49    HG3  ARG  10           2HG      ARG  10   0.044   1.825   2.425
   50    HD3  ARG  10           2HD      ARG  10  -1.682   3.900   1.350
   51    HE   ARG  10           HE       ARG  10  -0.311   5.041   3.578
   52   HH11  ARG  10          1HH1      ARG  10  -3.282   3.523   2.582
   53   HH12  ARG  10          2HH1      ARG  10  -4.232   4.273   3.823
   54   HH21  ARG  10          1HH2      ARG  10  -1.552   6.035   5.214
   55   HH22  ARG  10          2HH2      ARG  10  -3.248   5.704   5.318
   56    H    ARG  11           H        ARG  11  -4.811   1.156   2.300
   57    HA   ARG  11           HA       ARG  11  -6.084  -0.891   0.682
   58    HB3  ARG  11           2HB      ARG  11  -8.181   0.383   1.277
   59    HG3  ARG  11           2HG      ARG  11  -6.939  -0.035   3.900
   60    HD3  ARG  11           2HD      ARG  11  -8.850  -1.733   3.950
   61    HE   ARG  11           HE       ARG  11  -8.992   1.039   4.253
   62   HH11  ARG  11          1HH1      ARG  11 -11.103  -1.663   3.649
   63   HH12  ARG  11          2HH1      ARG  11 -12.478  -0.926   4.403
   64   HH21  ARG  11          1HH2      ARG  11 -10.794   2.019   5.248
   65   HH22  ARG  11          2HH2      ARG  11 -12.302   1.169   5.313
   66    H    ASP  12           H        ASP  12  -4.394   0.366  -0.944
   67    HA   ASP  12           HA       ASP  12  -6.109   2.159  -2.537
   68    HB3  ASP  12           2HB      ASP  12  -4.400   3.604  -2.036
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -4.438  -0.790  -2.901
    2    HA2  GLY   1           2HA      GLY   1  -3.297  -1.940  -4.544
    3    HA3  GLY   1           3HA      GLY   1  -4.146  -0.830  -5.610
    4    H    SER   2           H        SER   2  -2.320   1.108  -3.742
    5    HA   SER   2           HA       SER   2  -0.290   1.350  -5.813
    6    HB3  SER   2           2HB      SER   2   0.333   3.406  -4.321
    7    HG   SER   2           HG       SER   2  -0.779   3.527  -6.342
    8    H    CYS   3           H        CYS   3   0.068  -0.959  -4.413
    9    HA   CYS   3           HA       CYS   3   1.673  -0.856  -2.136
   10    HB3  CYS   3           2HB      CYS   3   1.371  -2.853  -4.358
   11    H    PHE   4           H        PHE   4   3.775  -0.454  -1.763
   12    HA   PHE   4           HA       PHE   4   5.685  -0.404  -3.951
   13    HB3  PHE   4           2HB      PHE   4   6.432   1.939  -2.997
   14    HD1  PHE   4           1HD      PHE   4   6.688   1.055  -5.535
   15    HD2  PHE   4           2HD      PHE   4   3.330   3.120  -3.929
   16    HE1  PHE   4           1HE      PHE   4   6.064   1.795  -7.798
   17    HE2  PHE   4           2HE      PHE   4   2.701   3.863  -6.187
   18    HZ   PHE   4           HZ       PHE   4   4.067   3.199  -8.126
   19    H    GLY   5           H        GLY   5   6.462  -2.210  -2.681
   20    HA2  GLY   5           2HA      GLY   5   7.842  -3.188  -1.126
   21    HA3  GLY   5           3HA      GLY   5   8.680  -1.643  -1.126
   22    H    ALA   6           H        ALA   6   8.628  -0.435   0.671
   23    HA   ALA   6           HA       ALA   6   7.615  -1.482   3.076
   24    HB1  ALA   6           1HB      ALA   6   8.911   1.045   2.241
   25    HB2  ALA   6           2HB      ALA   6   8.020   1.062   3.763
   26    HB3  ALA   6           3HB      ALA   6   9.342  -0.083   3.528
   27    H    PHE   7           H        PHE   7   6.087   0.258   0.587
   28    HA   PHE   7           HA       PHE   7   3.875   1.027   2.372
   29    HB3  PHE   7           2HB      PHE   7   3.175   2.539   0.513
   30    HD1  PHE   7           2HD      PHE   7   3.432   3.729   2.710
   31    HD2  PHE   7           1HD      PHE   7   6.691   3.080   0.051
   32    HE1  PHE   7           2HE      PHE   7   4.707   5.501   3.845
   33    HE2  PHE   7           1HE      PHE   7   7.971   4.851   1.181
   34    HZ   PHE   7           HZ       PHE   7   6.978   6.066   3.080
   35    H    CYS   8           H        CYS   8   4.244  -1.660   1.496
   36    HA   CYS   8           HA       CYS   8   2.254  -2.066  -0.596
   37    HB3  CYS   8           2HB      CYS   8   3.591  -4.305   0.880
   38    H    PHE   9           H        PHE   9   1.804  -1.169   2.322
   39    HA   PHE   9           HA       PHE   9  -0.331  -3.119   2.885
   40    HB3  PHE   9           2HB      PHE   9   0.008  -2.814   5.260
   41    HD1  PHE   9           1HD      PHE   9   0.503  -5.178   4.471
   42    HD2  PHE   9           2HD      PHE   9   3.473  -2.141   4.746
   43    HE1  PHE   9           1HE      PHE   9   2.258  -6.901   4.491
   44    HE2  PHE   9           2HE      PHE   9   5.232  -3.860   4.764
   45    HZ   PHE   9           HZ       PHE   9   4.628  -6.242   4.637
   46    H    ARG  10           H        ARG  10  -1.330  -1.404   1.373
   47    HA   ARG  10           HA       ARG  10  -2.738   0.506   3.083
   48    HB3  ARG  10           2HB      ARG  10  -2.499   2.302   1.434
   49    HG3  ARG  10           2HG      ARG  10   0.330   1.512   1.760
   50    HD3  ARG  10           2HD      ARG  10   0.505   3.784   2.624
   51    HE   ARG  10           HE       ARG  10  -0.537   3.311   0.004
   52   HH11  ARG  10          1HH1      ARG  10   0.421   5.785   2.258
   53   HH12  ARG  10          2HH1      ARG  10   0.779   6.950   1.026
   54   HH21  ARG  10          1HH2      ARG  10  -0.071   4.835  -1.626
   55   HH22  ARG  10          2HH2      ARG  10   0.498   6.411  -1.183
   56    H    ARG  11           H        ARG  11  -4.824   1.021   2.391
   57    HA   ARG  11           HA       ARG  11  -6.028  -0.958   0.669
   58    HB3  ARG  11           2HB      ARG  11  -7.505   1.371   1.846
   59    HG3  ARG  11           2HG      ARG  11  -8.272  -1.531   1.624
   60    HD3  ARG  11           2HD      ARG  11 -10.577  -0.460   1.875
   61    HE   ARG  11           HE       ARG  11  -8.969  -1.430   3.824
   62   HH11  ARG  11          1HH1      ARG  11 -11.269   1.180   3.684
   63   HH12  ARG  11          2HH1      ARG  11 -11.706   1.056   5.356
   64   HH21  ARG  11          1HH2      ARG  11  -9.537  -1.602   6.027
   65   HH22  ARG  11          2HH2      ARG  11 -10.720  -0.526   6.687
   66    H    ASP  12           H        ASP  12  -4.458   0.236  -1.014
   67    HA   ASP  12           HA       ASP  12  -6.197   2.063  -2.536
   68    HB3  ASP  12           2HB      ASP  12  -4.536   3.557  -2.013
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -4.479  -0.821  -2.906
    2    HA2  GLY   1           2HA      GLY   1  -3.275  -2.024  -4.470
    3    HA3  GLY   1           3HA      GLY   1  -4.141  -0.981  -5.591
    4    H    SER   2           H        SER   2  -2.323   1.031  -3.755
    5    HA   SER   2           HA       SER   2  -0.318   1.266  -5.855
    6    HB3  SER   2           2HB      SER   2   0.301   3.344  -4.392
    7    HG   SER   2           HG       SER   2  -2.182   3.888  -5.301
    8    H    CYS   3           H        CYS   3   0.075  -1.024  -4.429
    9    HA   CYS   3           HA       CYS   3   1.678  -0.915  -2.168
   10    HB3  CYS   3           2HB      CYS   3   1.459  -2.875  -4.431
   11    H    PHE   4           H        PHE   4   3.761  -0.450  -1.767
   12    HA   PHE   4           HA       PHE   4   5.689  -0.298  -3.932
   13    HB3  PHE   4           2HB      PHE   4   6.367   2.044  -3.000
   14    HD1  PHE   4           2HD      PHE   4   6.355   1.021  -5.582
   15    HD2  PHE   4           1HD      PHE   4   3.324   3.350  -3.709
   16    HE1  PHE   4           2HE      PHE   4   5.580   1.783  -7.790
   17    HE2  PHE   4           1HE      PHE   4   2.544   4.115  -5.913
   18    HZ   PHE   4           HZ       PHE   4   3.673   3.333  -7.957
   19    H    GLY   5           H        GLY   5   6.514  -2.099  -2.687
   20    HA2  GLY   5           2HA      GLY   5   7.913  -3.059  -1.137
   21    HA3  GLY   5           3HA      GLY   5   8.697  -1.485  -1.098
   22    H    ALA   6           H        ALA   6   8.586  -0.316   0.720
   23    HA   ALA   6           HA       ALA   6   7.581  -1.442   3.094
   24    HB1  ALA   6           1HB      ALA   6   9.071   0.893   2.332
   25    HB2  ALA   6           2HB      ALA   6   7.854   1.309   3.540
   26    HB3  ALA   6           3HB      ALA   6   9.034   0.042   3.878
   27    H    PHE   7           H        PHE   7   6.025   0.295   0.623
   28    HA   PHE   7           HA       PHE   7   3.771   0.958   2.394
   29    HB3  PHE   7           2HB      PHE   7   3.046   2.417   0.433
   30    HD1  PHE   7           1HD      PHE   7   3.161   3.181   3.002
   31    HD2  PHE   7           2HD      PHE   7   6.246   3.689   0.116
   32    HE1  PHE   7           1HE      PHE   7   4.089   5.036   4.328
   33    HE2  PHE   7           2HE      PHE   7   7.182   5.545   1.435
   34    HZ   PHE   7           HZ       PHE   7   6.104   6.218   3.544
   35    H    CYS   8           H        CYS   8   4.237  -1.699   1.471
   36    HA   CYS   8           HA       CYS   8   2.283  -2.127  -0.652
   37    HB3  CYS   8           2HB      CYS   8   3.679  -4.347   0.798
   38    H    PHE   9           H        PHE   9   1.771  -1.302   2.278
   39    HA   PHE   9           HA       PHE   9  -0.360  -3.275   2.734
   40    HB3  PHE   9           2HB      PHE   9  -0.013  -3.124   5.139
   41    HD1  PHE   9           1HD      PHE   9   0.348  -5.396   3.794
   42    HD2  PHE   9           2HD      PHE   9   3.436  -2.734   5.013
   43    HE1  PHE   9           1HE      PHE   9   1.976  -7.237   3.676
   44    HE2  PHE   9           2HE      PHE   9   5.070  -4.568   4.896
   45    HZ   PHE   9           HZ       PHE   9   4.341  -6.823   4.227
   46    H    ARG  10           H        ARG  10  -1.330  -1.425   1.375
   47    HA   ARG  10           HA       ARG  10  -2.652   0.399   3.245
   48    HB3  ARG  10           2HB      ARG  10  -2.495   2.119   1.267
   49    HG3  ARG  10           2HG      ARG  10  -0.732   1.614   3.514
   50    HD3  ARG  10           2HD      ARG  10   0.843   1.762   1.475
   51    HE   ARG  10           HE       ARG  10   0.380   3.637   0.237
   52   HH11  ARG  10          1HH1      ARG  10   0.466   4.469   3.615
   53   HH12  ARG  10          2HH1      ARG  10   0.395   6.177   3.331
   54   HH21  ARG  10          1HH2      ARG  10   0.287   5.884  -0.151
   55   HH22  ARG  10          2HH2      ARG  10   0.293   6.980   1.188
   56    H    ARG  11           H        ARG  11  -4.641   1.346   2.343
   57    HA   ARG  11           HA       ARG  11  -6.038  -0.640   0.736
   58    HB3  ARG  11           2HB      ARG  11  -8.070   0.653   1.372
   59    HG3  ARG  11           2HG      ARG  11  -7.014   0.467   4.031
   60    HD3  ARG  11           2HD      ARG  11  -9.314  -0.170   2.726
   61    HE   ARG  11           HE       ARG  11  -9.110  -2.326   2.014
   62   HH11  ARG  11          1HH1      ARG  11  -7.392  -1.981   5.022
   63   HH12  ARG  11          2HH1      ARG  11  -7.025  -3.669   5.157
   64   HH21  ARG  11          1HH2      ARG  11  -8.634  -4.550   2.179
   65   HH22  ARG  11          2HH2      ARG  11  -7.731  -5.130   3.539
   66    H    ASP  12           H        ASP  12  -4.690   0.082  -1.156
   67    HA   ASP  12           HA       ASP  12  -6.211   2.061  -2.669
   68    HB3  ASP  12           2HB      ASP  12  -4.550   3.555  -2.156
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -4.411  -0.815  -3.001
    2    HA2  GLY   1           2HA      GLY   1  -3.251  -1.851  -4.694
    3    HA3  GLY   1           3HA      GLY   1  -4.079  -0.698  -5.731
    4    H    SER   2           H        SER   2  -2.360   1.145  -3.659
    5    HA   SER   2           HA       SER   2  -0.263   1.567  -5.636
    6    HB3  SER   2           2HB      SER   2   0.270   3.518  -3.977
    7    HG   SER   2           HG       SER   2  -0.628   4.238  -5.775
    8    H    CYS   3           H        CYS   3   0.087  -0.832  -4.389
    9    HA   CYS   3           HA       CYS   3   1.681  -0.776  -2.069
   10    HB3  CYS   3           2HB      CYS   3   1.255  -2.779  -4.263
   11    H    PHE   4           H        PHE   4   3.803  -0.451  -1.740
   12    HA   PHE   4           HA       PHE   4   5.672  -0.501  -3.963
   13    HB3  PHE   4           2HB      PHE   4   6.553   1.794  -3.246
   14    HD1  PHE   4           2HD      PHE   4   6.120   0.785  -5.767
   15    HD2  PHE   4           1HD      PHE   4   3.501   3.286  -3.531
   16    HE1  PHE   4           2HE      PHE   4   5.086   1.568  -7.858
   17    HE2  PHE   4           1HE      PHE   4   2.462   4.072  -5.618
   18    HZ   PHE   4           HZ       PHE   4   3.256   3.214  -7.785
   19    H    GLY   5           H        GLY   5   6.401  -2.323  -2.683
   20    HA2  GLY   5           2HA      GLY   5   7.774  -3.335  -1.144
   21    HA3  GLY   5           3HA      GLY   5   8.668  -1.823  -1.177
   22    H    ALA   6           H        ALA   6   8.698  -0.594   0.603
   23    HA   ALA   6           HA       ALA   6   7.688  -1.572   3.041
   24    HB1  ALA   6           1HB      ALA   6   8.431   0.563   3.991
   25    HB2  ALA   6           2HB      ALA   6   9.654  -0.146   2.936
   26    HB3  ALA   6           3HB      ALA   6   8.668   1.199   2.361
   27    H    PHE   7           H        PHE   7   6.186   0.197   0.559
   28    HA   PHE   7           HA       PHE   7   4.040   1.074   2.372
   29    HB3  PHE   7           2HB      PHE   7   3.370   2.466   0.284
   30    HD1  PHE   7           2HD      PHE   7   6.819   2.482   1.720
   31    HD2  PHE   7           1HD      PHE   7   3.100   4.504   1.278
   32    HE1  PHE   7           2HE      PHE   7   7.686   4.359   3.052
   33    HE2  PHE   7           1HE      PHE   7   3.959   6.384   2.611
   34    HZ   PHE   7           HZ       PHE   7   6.255   6.313   3.500
   35    H    CYS   8           H        CYS   8   4.285  -1.635   1.519
   36    HA   CYS   8           HA       CYS   8   2.244  -1.983  -0.534
   37    HB3  CYS   8           2HB      CYS   8   3.519  -4.255   0.947
   38    H    PHE   9           H        PHE   9   1.880  -1.037   2.381
   39    HA   PHE   9           HA       PHE   9  -0.261  -2.948   3.057
   40    HB3  PHE   9           2HB      PHE   9   0.055  -2.123   5.434
   41    HD1  PHE   9           1HD      PHE   9   3.333  -2.775   3.830
   42    HD2  PHE   9           2HD      PHE   9   0.071  -4.368   6.054
   43    HE1  PHE   9           1HE      PHE   9   4.593  -4.862   4.176
   44    HE2  PHE   9           2HE      PHE   9   1.324  -6.456   6.404
   45    HZ   PHE   9           HZ       PHE   9   3.588  -6.705   5.466
   46    H    ARG  10           H        ARG  10  -1.334  -1.411   1.430
   47    HA   ARG  10           HA       ARG  10  -2.785   0.595   2.977
   48    HB3  ARG  10           2HB      ARG  10  -2.602   2.242   1.134
   49    HG3  ARG  10           2HG      ARG  10   0.235   1.656   1.736
   50    HD3  ARG  10           2HD      ARG  10  -0.526   3.776   0.707
   51    HE   ARG  10           HE       ARG  10  -2.421   3.829   2.793
   52   HH11  ARG  10          1HH1      ARG  10  -0.264   5.918   1.032
   53   HH12  ARG  10          2HH1      ARG  10  -1.236   7.334   1.266
   54   HH21  ARG  10          1HH2      ARG  10  -3.708   5.686   3.108
   55   HH22  ARG  10          2HH2      ARG  10  -3.194   7.201   2.448
   56    H    ARG  11           H        ARG  11  -4.888   0.954   2.283
   57    HA   ARG  11           HA       ARG  11  -5.979  -1.138   0.599
   58    HB3  ARG  11           2HB      ARG  11  -8.168  -0.243   1.313
   59    HG3  ARG  11           2HG      ARG  11  -6.140  -1.182   3.176
   60    HD3  ARG  11           2HD      ARG  11  -7.027   0.906   4.312
   61    HE   ARG  11           HE       ARG  11  -9.546  -0.315   3.814
   62   HH11  ARG  11          1HH1      ARG  11  -7.774   1.535   6.173
   63   HH12  ARG  11          2HH1      ARG  11  -9.190   2.254   6.865
   64   HH21  ARG  11          1HH2      ARG  11 -11.418   0.625   4.718
   65   HH22  ARG  11          2HH2      ARG  11 -11.262   1.736   6.037
   66    H    ASP  12           H        ASP  12  -4.567   0.138  -1.130
   67    HA   ASP  12           HA       ASP  12  -6.473   1.822  -2.608
   68    HB3  ASP  12           2HB      ASP  12  -4.991   3.488  -2.070
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -4.431  -0.775  -2.862
    2    HA2  GLY   1           2HA      GLY   1  -3.283  -1.979  -4.458
    3    HA3  GLY   1           3HA      GLY   1  -4.141  -0.929  -5.574
    4    H    SER   2           H        SER   2  -2.314   1.068  -3.727
    5    HA   SER   2           HA       SER   2  -0.306   1.301  -5.823
    6    HB3  SER   2           2HB      SER   2   0.325   3.369  -4.348
    7    HG   SER   2           HG       SER   2  -1.067   3.176  -6.385
    8    H    CYS   3           H        CYS   3   0.073  -0.997  -4.407
    9    HA   CYS   3           HA       CYS   3   1.683  -0.895  -2.145
   10    HB3  CYS   3           2HB      CYS   3   1.424  -2.867  -4.395
   11    H    PHE   4           H        PHE   4   3.775  -0.455  -1.759
   12    HA   PHE   4           HA       PHE   4   5.691  -0.344  -3.938
   13    HB3  PHE   4           2HB      PHE   4   6.376   2.007  -2.909
   14    HD1  PHE   4           2HD      PHE   4   6.709   1.042  -5.457
   15    HD2  PHE   4           1HD      PHE   4   3.379   3.237  -3.975
   16    HE1  PHE   4           2HE      PHE   4   6.191   1.789  -7.743
   17    HE2  PHE   4           1HE      PHE   4   2.853   3.988  -6.259
   18    HZ   PHE   4           HZ       PHE   4   4.261   3.266  -8.145
   19    H    GLY   5           H        GLY   5   6.496  -2.149  -2.684
   20    HA2  GLY   5           2HA      GLY   5   7.891  -3.116  -1.135
   21    HA3  GLY   5           3HA      GLY   5   8.698  -1.555  -1.114
   22    H    ALA   6           H        ALA   6   8.616  -0.366   0.694
   23    HA   ALA   6           HA       ALA   6   7.612  -1.458   3.084
   24    HB1  ALA   6           1HB      ALA   6   8.886   1.083   2.278
   25    HB2  ALA   6           2HB      ALA   6   7.961   1.103   3.782
   26    HB3  ALA   6           3HB      ALA   6   9.296  -0.032   3.582
   27    H    PHE   7           H        PHE   7   6.061   0.277   0.608
   28    HA   PHE   7           HA       PHE   7   3.829   0.984   2.390
   29    HB3  PHE   7           2HB      PHE   7   3.130   2.373   0.298
   30    HD1  PHE   7           1HD      PHE   7   2.620   3.588   2.396
   31    HD2  PHE   7           2HD      PHE   7   6.564   3.367   0.810
   32    HE1  PHE   7           1HE      PHE   7   3.290   5.488   3.807
   33    HE2  PHE   7           2HE      PHE   7   7.241   5.267   2.220
   34    HZ   PHE   7           HZ       PHE   7   5.603   6.330   3.721
   35    H    CYS   8           H        CYS   8   4.253  -1.685   1.482
   36    HA   CYS   8           HA       CYS   8   2.282  -2.102  -0.627
   37    HB3  CYS   8           2HB      CYS   8   3.653  -4.330   0.835
   38    H    PHE   9           H        PHE   9   1.797  -1.246   2.299
   39    HA   PHE   9           HA       PHE   9  -0.329  -3.219   2.807
   40    HB3  PHE   9           2HB      PHE   9  -0.005  -2.760   5.251
   41    HD1  PHE   9           1HD      PHE   9   3.373  -3.014   3.789
   42    HD2  PHE   9           2HD      PHE   9   0.025  -5.116   5.370
   43    HE1  PHE   9           1HE      PHE   9   4.704  -5.083   3.848
   44    HE2  PHE   9           2HE      PHE   9   1.352  -7.188   5.431
   45    HZ   PHE   9           HZ       PHE   9   3.694  -7.174   4.671
   46    H    ARG  10           H        ARG  10  -1.295  -1.424   1.348
   47    HA   ARG  10           HA       ARG  10  -2.621   0.493   3.133
   48    HB3  ARG  10           2HB      ARG  10  -2.532   2.195   1.322
   49    HG3  ARG  10           2HG      ARG  10   0.325   1.598   1.640
   50    HD3  ARG  10           2HD      ARG  10  -1.139   3.820   1.160
   51    HE   ARG  10           HE       ARG  10  -1.446   3.574   3.895
   52   HH11  ARG  10          1HH1      ARG  10  -0.107   5.891   1.670
   53   HH12  ARG  10          2HH1      ARG  10  -0.443   7.255   2.685
   54   HH21  ARG  10          1HH2      ARG  10  -1.893   5.359   5.240
   55   HH22  ARG  10          2HH2      ARG  10  -1.458   6.951   4.716
   56    H    ARG  11           H        ARG  11  -4.632   1.399   2.136
   57    HA   ARG  11           HA       ARG  11  -6.051  -0.756   0.755
   58    HB3  ARG  11           2HB      ARG  11  -8.098   0.518   1.434
   59    HG3  ARG  11           2HG      ARG  11  -7.073   0.393   4.061
   60    HD3  ARG  11           2HD      ARG  11  -8.263  -1.973   3.764
   61    HE   ARG  11           HE       ARG  11 -10.232   0.086   3.608
   62   HH11  ARG  11          1HH1      ARG  11  -7.693  -1.225   5.599
   63   HH12  ARG  11          2HH1      ARG  11  -8.373  -0.636   7.078
   64   HH21  ARG  11          1HH2      ARG  11 -11.136   0.866   5.551
   65   HH22  ARG  11          2HH2      ARG  11 -10.331   0.553   7.051
   66    H    ASP  12           H        ASP  12  -4.521   0.282  -1.063
   67    HA   ASP  12           HA       ASP  12  -6.298   2.022  -2.637
   68    HB3  ASP  12           2HB      ASP  12  -4.696   3.604  -2.196
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -4.406  -0.773  -2.920
    2    HA2  GLY   1           2HA      GLY   1  -3.272  -1.878  -4.588
    3    HA3  GLY   1           3HA      GLY   1  -4.107  -0.759  -5.656
    4    H    SER   2           H        SER   2  -2.338   1.134  -3.664
    5    HA   SER   2           HA       SER   2  -0.274   1.482  -5.689
    6    HB3  SER   2           2HB      SER   2   0.305   3.475  -4.094
    7    HG   SER   2           HG       SER   2  -0.823   4.586  -5.479
    8    H    CYS   3           H        CYS   3   0.077  -0.884  -4.381
    9    HA   CYS   3           HA       CYS   3   1.684  -0.814  -2.084
   10    HB3  CYS   3           2HB      CYS   3   1.298  -2.811  -4.291
   11    H    PHE   4           H        PHE   4   3.798  -0.459  -1.742
   12    HA   PHE   4           HA       PHE   4   5.679  -0.470  -3.955
   13    HB3  PHE   4           2HB      PHE   4   6.473   1.873  -2.947
   14    HD1  PHE   4           2HD      PHE   4   6.729   0.740  -5.485
   15    HD2  PHE   4           1HD      PHE   4   3.632   3.299  -4.079
   16    HE1  PHE   4           2HE      PHE   4   6.282   1.464  -7.794
   17    HE2  PHE   4           1HE      PHE   4   3.180   4.024  -6.386
   18    HZ   PHE   4           HZ       PHE   4   4.506   3.108  -8.247
   19    H    GLY   5           H        GLY   5   6.425  -2.286  -2.677
   20    HA2  GLY   5           2HA      GLY   5   7.802  -3.284  -1.135
   21    HA3  GLY   5           3HA      GLY   5   8.680  -1.761  -1.159
   22    H    ALA   6           H        ALA   6   8.678  -0.530   0.623
   23    HA   ALA   6           HA       ALA   6   7.675  -1.530   3.053
   24    HB1  ALA   6           1HB      ALA   6   8.808   0.164   4.037
   25    HB2  ALA   6           2HB      ALA   6   9.560   0.266   2.444
   26    HB3  ALA   6           3HB      ALA   6   8.248   1.365   2.874
   27    H    PHE   7           H        PHE   7   6.154   0.219   0.568
   28    HA   PHE   7           HA       PHE   7   3.986   1.056   2.375
   29    HB3  PHE   7           2HB      PHE   7   3.313   2.620   0.598
   30    HD1  PHE   7           1HD      PHE   7   3.950   3.638   2.874
   31    HD2  PHE   7           2HD      PHE   7   6.706   3.070  -0.317
   32    HE1  PHE   7           1HE      PHE   7   5.442   5.321   3.871
   33    HE2  PHE   7           2HE      PHE   7   8.205   4.751   0.674
   34    HZ   PHE   7           HZ       PHE   7   7.575   5.879   2.770
   35    H    CYS   8           H        CYS   8   4.281  -1.646   1.512
   36    HA   CYS   8           HA       CYS   8   2.257  -2.015  -0.556
   37    HB3  CYS   8           2HB      CYS   8   3.556  -4.273   0.925
   38    H    PHE   9           H        PHE   9   1.860  -1.086   2.362
   39    HA   PHE   9           HA       PHE   9  -0.267  -3.022   3.004
   40    HB3  PHE   9           2HB      PHE   9   0.039  -2.214   5.398
   41    HD1  PHE   9           2HD      PHE   9   3.356  -2.873   3.909
   42    HD2  PHE   9           1HD      PHE   9  -0.040  -4.508   5.888
   43    HE1  PHE   9           2HE      PHE   9   4.571  -4.987   4.242
   44    HE2  PHE   9           1HE      PHE   9   1.172  -6.623   6.224
   45    HZ   PHE   9           HZ       PHE   9   3.479  -6.865   5.400
   46    H    ARG  10           H        ARG  10  -1.283  -1.410   1.371
   47    HA   ARG  10           HA       ARG  10  -2.713   0.597   2.957
   48    HB3  ARG  10           2HB      ARG  10  -2.636   2.092   0.885
   49    HG3  ARG  10           2HG      ARG  10   0.082   1.691   2.090
   50    HD3  ARG  10           2HD      ARG  10  -1.473   4.037   1.029
   51    HE   ARG  10           HE       ARG  10   0.168   4.288   3.182
   52   HH11  ARG  10          1HH1      ARG  10   0.335   5.324  -0.137
   53   HH12  ARG  10          2HH1      ARG  10   1.272   6.739   0.214
   54   HH21  ARG  10          1HH2      ARG  10   1.401   6.146   3.659
   55   HH22  ARG  10          2HH2      ARG  10   1.878   7.206   2.375
   56    H    ARG  11           H        ARG  11  -4.804   1.133   2.152
   57    HA   ARG  11           HA       ARG  11  -6.014  -1.063   0.666
   58    HB3  ARG  11           2HB      ARG  11  -8.140  -0.180   1.437
   59    HG3  ARG  11           2HG      ARG  11  -6.198  -1.151   3.156
   60    HD3  ARG  11           2HD      ARG  11  -7.396   1.400   4.169
   61    HE   ARG  11           HE       ARG  11  -7.148  -0.981   5.729
   62   HH11  ARG  11          1HH1      ARG  11  -6.791   2.482   5.800
   63   HH12  ARG  11          2HH1      ARG  11  -7.048   2.604   7.509
   64   HH21  ARG  11          1HH2      ARG  11  -7.488  -0.833   7.979
   65   HH22  ARG  11          2HH2      ARG  11  -7.444   0.718   8.748
   66    H    ASP  12           H        ASP  12  -4.488   0.329  -1.037
   67    HA   ASP  12           HA       ASP  12  -6.435   1.899  -2.596
   68    HB3  ASP  12           2HB      ASP  12  -4.928   3.563  -2.131
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -4.417  -0.773  -2.905
    2    HA2  GLY   1           2HA      GLY   1  -3.270  -1.915  -4.541
    3    HA3  GLY   1           3HA      GLY   1  -4.113  -0.827  -5.632
    4    H    SER   2           H        SER   2  -2.328   1.107  -3.682
    5    HA   SER   2           HA       SER   2  -0.283   1.423  -5.732
    6    HB3  SER   2           2HB      SER   2   0.310   3.440  -4.172
    7    HG   SER   2           HG       SER   2  -0.806   3.566  -6.216
    8    H    CYS   3           H        CYS   3   0.079  -0.922  -4.390
    9    HA   CYS   3           HA       CYS   3   1.688  -0.842  -2.104
   10    HB3  CYS   3           2HB      CYS   3   1.344  -2.829  -4.327
   11    H    PHE   4           H        PHE   4   3.796  -0.456  -1.750
   12    HA   PHE   4           HA       PHE   4   5.688  -0.426  -3.952
   13    HB3  PHE   4           2HB      PHE   4   6.484   1.899  -3.107
   14    HD1  PHE   4           2HD      PHE   4   6.234   0.750  -5.664
   15    HD2  PHE   4           1HD      PHE   4   3.548   3.408  -3.705
   16    HE1  PHE   4           2HE      PHE   4   5.394   1.506  -7.848
   17    HE2  PHE   4           1HE      PHE   4   2.703   4.169  -5.888
   18    HZ   PHE   4           HZ       PHE   4   3.627   3.219  -7.964
   19    H    GLY   5           H        GLY   5   6.459  -2.238  -2.684
   20    HA2  GLY   5           2HA      GLY   5   7.843  -3.224  -1.142
   21    HA3  GLY   5           3HA      GLY   5   8.694  -1.686  -1.150
   22    H    ALA   6           H        ALA   6   8.667  -0.477   0.645
   23    HA   ALA   6           HA       ALA   6   7.661  -1.511   3.060
   24    HB1  ALA   6           1HB      ALA   6   9.075  -0.020   3.892
   25    HB2  ALA   6           2HB      ALA   6   9.334   0.620   2.269
   26    HB3  ALA   6           3HB      ALA   6   8.072   1.301   3.295
   27    H    PHE   7           H        PHE   7   6.132   0.239   0.582
   28    HA   PHE   7           HA       PHE   7   3.942   1.031   2.381
   29    HB3  PHE   7           2HB      PHE   7   3.296   2.670   0.739
   30    HD1  PHE   7           1HD      PHE   7   4.594   3.170   3.125
   31    HD2  PHE   7           2HD      PHE   7   6.242   3.387  -0.793
   32    HE1  PHE   7           1HE      PHE   7   6.296   4.751   3.933
   33    HE2  PHE   7           2HE      PHE   7   7.947   4.969   0.008
   34    HZ   PHE   7           HZ       PHE   7   7.977   5.652   2.374
   35    H    CYS   8           H        CYS   8   4.278  -1.659   1.500
   36    HA   CYS   8           HA       CYS   8   2.272  -2.043  -0.580
   37    HB3  CYS   8           2HB      CYS   8   3.596  -4.293   0.893
   38    H    PHE   9           H        PHE   9   1.845  -1.141   2.339
   39    HA   PHE   9           HA       PHE   9  -0.286  -3.087   2.933
   40    HB3  PHE   9           2HB      PHE   9   0.027  -2.487   5.343
   41    HD1  PHE   9           2HD      PHE   9   0.072  -4.983   4.360
   42    HD2  PHE   9           1HD      PHE   9   3.480  -2.557   5.141
   43    HE1  PHE   9           2HE      PHE   9   1.463  -7.004   4.540
   44    HE2  PHE   9           1HE      PHE   9   4.878  -4.574   5.321
   45    HZ   PHE   9           HZ       PHE   9   3.869  -6.800   5.023
   46    H    ARG  10           H        ARG  10  -1.342  -1.455   1.395
   47    HA   ARG  10           HA       ARG  10  -2.707   0.542   3.047
   48    HB3  ARG  10           2HB      ARG  10  -2.646   1.957   0.806
   49    HG3  ARG  10           2HG      ARG  10  -0.442   2.992   1.574
   50    HD3  ARG  10           2HD      ARG  10  -2.093   2.955   3.977
   51    HE   ARG  10           HE       ARG  10  -2.098   5.313   2.370
   52   HH11  ARG  10          1HH1      ARG  10  -0.130   3.349   4.468
   53   HH12  ARG  10          2HH1      ARG  10   0.899   4.659   4.943
   54   HH21  ARG  10          1HH2      ARG  10  -0.750   7.044   2.990
   55   HH22  ARG  10          2HH2      ARG  10   0.545   6.761   4.103
   56    H    ARG  11           H        ARG  11  -4.761   1.256   2.122
   57    HA   ARG  11           HA       ARG  11  -6.052  -0.938   0.690
   58    HB3  ARG  11           2HB      ARG  11  -8.165   0.319   1.352
   59    HG3  ARG  11           2HG      ARG  11  -6.638  -1.432   2.843
   60    HD3  ARG  11           2HD      ARG  11  -6.005   0.683   4.162
   61    HE   ARG  11           HE       ARG  11  -7.843   1.836   4.874
   62   HH11  ARG  11          1HH1      ARG  11  -8.421  -1.571   5.288
   63   HH12  ARG  11          2HH1      ARG  11  -9.916  -1.350   6.135
   64   HH21  ARG  11          1HH2      ARG  11  -9.810   2.144   5.988
   65   HH22  ARG  11          2HH2      ARG  11 -10.705   0.766   6.531
   66    H    ASP  12           H        ASP  12  -4.518   0.301  -1.061
   67    HA   ASP  12           HA       ASP  12  -6.395   1.942  -2.629
   68    HB3  ASP  12           2HB      ASP  12  -4.855   3.580  -2.166
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -4.404  -0.722  -2.863
    2    HA2  GLY   1           2HA      GLY   1  -3.292  -1.874  -4.515
    3    HA3  GLY   1           3HA      GLY   1  -4.129  -0.774  -5.601
    4    H    SER   2           H        SER   2  -2.323   1.145  -3.663
    5    HA   SER   2           HA       SER   2  -0.278   1.436  -5.716
    6    HB3  SER   2           2HB      SER   2   0.335   3.455  -4.168
    7    HG   SER   2           HG       SER   2  -1.947   3.171  -5.790
    8    H    CYS   3           H        CYS   3   0.068  -0.907  -4.369
    9    HA   CYS   3           HA       CYS   3   1.685  -0.826  -2.086
   10    HB3  CYS   3           2HB      CYS   3   1.306  -2.829  -4.289
   11    H    PHE   4           H        PHE   4   3.800  -0.462  -1.745
   12    HA   PHE   4           HA       PHE   4   5.679  -0.475  -3.958
   13    HB3  PHE   4           2HB      PHE   4   6.496   1.857  -3.066
   14    HD1  PHE   4           1HD      PHE   4   6.579   0.879  -5.608
   15    HD2  PHE   4           2HD      PHE   4   3.437   3.171  -3.881
   16    HE1  PHE   4           1HE      PHE   4   5.886   1.612  -7.853
   17    HE2  PHE   4           2HE      PHE   4   2.738   3.908  -6.122
   18    HZ   PHE   4           HZ       PHE   4   3.963   3.128  -8.111
   19    H    GLY   5           H        GLY   5   6.430  -2.286  -2.675
   20    HA2  GLY   5           2HA      GLY   5   7.810  -3.275  -1.128
   21    HA3  GLY   5           3HA      GLY   5   8.683  -1.751  -1.158
   22    H    ALA   6           H        ALA   6   8.679  -0.513   0.619
   23    HA   ALA   6           HA       ALA   6   7.680  -1.509   3.054
   24    HB1  ALA   6           1HB      ALA   6   9.155  -0.047   3.823
   25    HB2  ALA   6           2HB      ALA   6   9.336   0.637   2.207
   26    HB3  ALA   6           3HB      ALA   6   8.114   1.282   3.304
   27    H    PHE   7           H        PHE   7   6.151   0.227   0.563
   28    HA   PHE   7           HA       PHE   7   3.980   1.062   2.367
   29    HB3  PHE   7           2HB      PHE   7   3.286   2.554   0.470
   30    HD1  PHE   7           2HD      PHE   7   6.985   2.501   0.799
   31    HD2  PHE   7           1HD      PHE   7   3.324   4.346   1.943
   32    HE1  PHE   7           2HE      PHE   7   8.244   4.279   1.944
   33    HE2  PHE   7           1HE      PHE   7   4.576   6.128   3.089
   34    HZ   PHE   7           HZ       PHE   7   7.039   6.094   3.091
   35    H    CYS   8           H        CYS   8   4.283  -1.640   1.511
   36    HA   CYS   8           HA       CYS   8   2.260  -2.021  -0.555
   37    HB3  CYS   8           2HB      CYS   8   3.570  -4.270   0.931
   38    H    PHE   9           H        PHE   9   1.861  -1.086   2.360
   39    HA   PHE   9           HA       PHE   9  -0.257  -3.031   3.011
   40    HB3  PHE   9           2HB      PHE   9   0.052  -2.495   5.369
   41    HD1  PHE   9           1HD      PHE   9   0.639  -4.868   4.028
   42    HD2  PHE   9           2HD      PHE   9   3.387  -1.997   5.551
   43    HE1  PHE   9           1HE      PHE   9   2.365  -6.613   4.197
   44    HE2  PHE   9           2HE      PHE   9   5.118  -3.736   5.723
   45    HZ   PHE   9           HZ       PHE   9   4.607  -6.048   5.044
   46    H    ARG  10           H        ARG  10  -1.295  -1.448   1.376
   47    HA   ARG  10           HA       ARG  10  -2.713   0.583   2.946
   48    HB3  ARG  10           2HB      ARG  10  -2.685   2.029   0.843
   49    HG3  ARG  10           2HG      ARG  10  -0.257   2.765   1.200
   50    HD3  ARG  10           2HD      ARG  10  -0.863   3.426   3.660
   51    HE   ARG  10           HE       ARG  10  -2.849   4.601   1.990
   52   HH11  ARG  10          1HH1      ARG  10   0.587   4.340   2.485
   53   HH12  ARG  10          2HH1      ARG  10   0.942   5.863   1.740
   54   HH21  ARG  10          1HH2      ARG  10  -2.394   6.609   1.006
   55   HH22  ARG  10          2HH2      ARG  10  -0.755   7.152   0.900
   56    H    ARG  11           H        ARG  11  -4.790   1.201   2.020
   57    HA   ARG  11           HA       ARG  11  -6.038  -1.076   0.675
   58    HB3  ARG  11           2HB      ARG  11  -8.174   0.056   1.351
   59    HG3  ARG  11           2HG      ARG  11  -7.807  -0.177   3.867
   60    HD3  ARG  11           2HD      ARG  11  -8.292  -2.013   1.924
   61    HE   ARG  11           HE       ARG  11  -5.683  -2.629   2.684
   62   HH11  ARG  11          1HH1      ARG  11  -8.793  -4.180   2.470
   63   HH12  ARG  11          2HH1      ARG  11  -8.134  -5.757   2.187
   64   HH21  ARG  11          1HH2      ARG  11  -4.802  -4.700   2.313
   65   HH22  ARG  11          2HH2      ARG  11  -5.862  -6.052   2.101
   66    H    ASP  12           H        ASP  12  -4.419   0.545  -0.938
   67    HA   ASP  12           HA       ASP  12  -6.401   1.979  -2.581
   68    HB3  ASP  12           2HB      ASP  12  -4.868   3.634  -2.158
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -4.407  -0.808  -2.959
    2    HA2  GLY   1           2HA      GLY   1  -3.214  -1.931  -4.574
    3    HA3  GLY   1           3HA      GLY   1  -4.068  -0.874  -5.688
    4    H    SER   2           H        SER   2  -2.328   1.069  -3.672
    5    HA   SER   2           HA       SER   2  -0.294   1.480  -5.715
    6    HB3  SER   2           2HB      SER   2  -0.230   3.199  -3.323
    7    HG   SER   2           HG       SER   2  -0.759   4.090  -5.917
    8    H    CYS   3           H        CYS   3   0.022  -0.904  -4.318
    9    HA   CYS   3           HA       CYS   3   1.673  -0.841  -2.080
   10    HB3  CYS   3           2HB      CYS   3   1.324  -2.805  -4.321
   11    H    PHE   4           H        PHE   4   3.781  -0.449  -1.734
   12    HA   PHE   4           HA       PHE   4   5.660  -0.388  -3.947
   13    HB3  PHE   4           2HB      PHE   4   6.424   1.947  -2.951
   14    HD1  PHE   4           2HD      PHE   4   6.787   1.170  -5.475
   15    HD2  PHE   4           1HD      PHE   4   3.285   3.050  -3.954
   16    HE1  PHE   4           2HE      PHE   4   6.213   1.926  -7.744
   17    HE2  PHE   4           1HE      PHE   4   2.704   3.809  -6.222
   18    HZ   PHE   4           HZ       PHE   4   4.170   3.248  -8.119
   19    H    GLY   5           H        GLY   5   6.439  -2.211  -2.699
   20    HA2  GLY   5           2HA      GLY   5   7.837  -3.207  -1.172
   21    HA3  GLY   5           3HA      GLY   5   8.685  -1.666  -1.174
   22    H    ALA   6           H        ALA   6   8.663  -0.464   0.627
   23    HA   ALA   6           HA       ALA   6   7.681  -1.520   3.042
   24    HB1  ALA   6           1HB      ALA   6   9.465   0.437   2.359
   25    HB2  ALA   6           2HB      ALA   6   8.137   1.366   3.057
   26    HB3  ALA   6           3HB      ALA   6   8.909   0.087   3.996
   27    H    PHE   7           H        PHE   7   6.125   0.237   0.586
   28    HA   PHE   7           HA       PHE   7   3.942   1.004   2.408
   29    HB3  PHE   7           2HB      PHE   7   3.244   2.598   0.681
   30    HD1  PHE   7           1HD      PHE   7   3.991   3.492   3.016
   31    HD2  PHE   7           2HD      PHE   7   6.551   3.173  -0.368
   32    HE1  PHE   7           1HE      PHE   7   5.499   5.167   4.004
   33    HE2  PHE   7           2HE      PHE   7   8.065   4.844   0.613
   34    HZ   PHE   7           HZ       PHE   7   7.540   5.845   2.803
   35    H    CYS   8           H        CYS   8   4.286  -1.676   1.496
   36    HA   CYS   8           HA       CYS   8   2.271  -2.050  -0.576
   37    HB3  CYS   8           2HB      CYS   8   3.615  -4.305   0.868
   38    H    PHE   9           H        PHE   9   1.855  -1.176   2.356
   39    HA   PHE   9           HA       PHE   9  -0.272  -3.130   2.935
   40    HB3  PHE   9           2HB      PHE   9   0.084  -2.829   5.300
   41    HD1  PHE   9           1HD      PHE   9   0.653  -5.171   4.441
   42    HD2  PHE   9           2HD      PHE   9   3.521  -2.051   4.840
   43    HE1  PHE   9           1HE      PHE   9   2.462  -6.840   4.453
   44    HE2  PHE   9           2HE      PHE   9   5.333  -3.714   4.851
   45    HZ   PHE   9           HZ       PHE   9   4.806  -6.113   4.656
   46    H    ARG  10           H        ARG  10  -1.329  -1.462   1.433
   47    HA   ARG  10           HA       ARG  10  -2.652   0.527   3.132
   48    HB3  ARG  10           2HB      ARG  10  -2.597   2.159   1.265
   49    HG3  ARG  10           2HG      ARG  10   0.236   1.881   1.364
   50    HD3  ARG  10           2HD      ARG  10  -1.874   3.694   2.340
   51    HE   ARG  10           HE       ARG  10   0.629   4.446   3.476
   52   HH11  ARG  10          1HH1      ARG  10  -2.241   2.557   4.027
   53   HH12  ARG  10          2HH1      ARG  10  -2.122   2.640   5.755
   54   HH21  ARG  10          1HH2      ARG  10   0.798   4.563   5.748
   55   HH22  ARG  10          2HH2      ARG  10  -0.394   3.782   6.733
   56    H    ARG  11           H        ARG  11  -4.644   1.422   1.985
   57    HA   ARG  11           HA       ARG  11  -6.027  -0.823   0.692
   58    HB3  ARG  11           2HB      ARG  11  -8.091   0.614   1.353
   59    HG3  ARG  11           2HG      ARG  11  -6.869  -0.238   3.872
   60    HD3  ARG  11           2HD      ARG  11  -8.923  -1.796   3.686
   61    HE   ARG  11           HE       ARG  11  -8.782   0.841   4.534
   62   HH11  ARG  11          1HH1      ARG  11 -11.194  -1.371   3.347
   63   HH12  ARG  11          2HH1      ARG  11 -12.493  -0.630   4.223
   64   HH21  ARG  11          1HH2      ARG  11 -10.482   1.825   5.693
   65   HH22  ARG  11          2HH2      ARG  11 -12.086   1.189   5.556
   66    H    ASP  12           H        ASP  12  -4.651   0.147  -1.198
   67    HA   ASP  12           HA       ASP  12  -6.487   1.837  -2.737
   68    HB3  ASP  12           2HB      ASP  12  -5.014   3.535  -2.286
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -4.408  -0.803  -2.960
    2    HA2  GLY   1           2HA      GLY   1  -3.212  -1.929  -4.569
    3    HA3  GLY   1           3HA      GLY   1  -4.065  -0.874  -5.687
    4    H    SER   2           H        SER   2  -2.324   1.070  -3.670
    5    HA   SER   2           HA       SER   2  -0.291   1.481  -5.714
    6    HB3  SER   2           2HB      SER   2  -0.225   3.198  -3.322
    7    HG   SER   2           HG       SER   2  -0.193   4.783  -4.961
    8    H    CYS   3           H        CYS   3   0.025  -0.903  -4.315
    9    HA   CYS   3           HA       CYS   3   1.677  -0.840  -2.079
   10    HB3  CYS   3           2HB      CYS   3   1.324  -2.807  -4.319
   11    H    PHE   4           H        PHE   4   3.785  -0.449  -1.735
   12    HA   PHE   4           HA       PHE   4   5.663  -0.393  -3.951
   13    HB3  PHE   4           2HB      PHE   4   6.461   1.919  -3.158
   14    HD1  PHE   4           2HD      PHE   4   5.980   0.763  -5.698
   15    HD2  PHE   4           1HD      PHE   4   3.533   3.485  -3.523
   16    HE1  PHE   4           2HE      PHE   4   4.982   1.548  -7.807
   17    HE2  PHE   4           1HE      PHE   4   2.531   4.273  -5.628
   18    HZ   PHE   4           HZ       PHE   4   3.257   3.304  -7.773
   19    H    GLY   5           H        GLY   5   6.441  -2.215  -2.699
   20    HA2  GLY   5           2HA      GLY   5   7.839  -3.211  -1.173
   21    HA3  GLY   5           3HA      GLY   5   8.690  -1.673  -1.178
   22    H    ALA   6           H        ALA   6   8.667  -0.466   0.621
   23    HA   ALA   6           HA       ALA   6   7.688  -1.518   3.039
   24    HB1  ALA   6           1HB      ALA   6   9.616   0.046   2.811
   25    HB2  ALA   6           2HB      ALA   6   8.461   1.347   2.519
   26    HB3  ALA   6           3HB      ALA   6   8.463   0.499   4.066
   27    H    PHE   7           H        PHE   7   6.129   0.236   0.581
   28    HA   PHE   7           HA       PHE   7   3.951   1.006   2.403
   29    HB3  PHE   7           2HB      PHE   7   3.239   2.560   0.603
   30    HD1  PHE   7           2HD      PHE   7   3.642   3.689   2.824
   31    HD2  PHE   7           1HD      PHE   7   6.723   3.054  -0.042
   32    HE1  PHE   7           2HE      PHE   7   5.008   5.420   3.917
   33    HE2  PHE   7           1HE      PHE   7   8.095   4.784   1.046
   34    HZ   PHE   7           HZ       PHE   7   7.238   5.969   3.026
   35    H    CYS   8           H        CYS   8   4.292  -1.674   1.496
   36    HA   CYS   8           HA       CYS   8   2.275  -2.047  -0.576
   37    HB3  CYS   8           2HB      CYS   8   3.617  -4.303   0.870
   38    H    PHE   9           H        PHE   9   1.861  -1.171   2.355
   39    HA   PHE   9           HA       PHE   9  -0.268  -3.121   2.936
   40    HB3  PHE   9           2HB      PHE   9   0.083  -2.794   5.307
   41    HD1  PHE   9           1HD      PHE   9   0.605  -5.138   4.234
   42    HD2  PHE   9           2HD      PHE   9   3.514  -2.143   5.062
   43    HE1  PHE   9           1HE      PHE   9   2.364  -6.858   4.255
   44    HE2  PHE   9           2HE      PHE   9   5.278  -3.858   5.081
   45    HZ   PHE   9           HZ       PHE   9   4.706  -6.218   4.676
   46    H    ARG  10           H        ARG  10  -1.378  -1.498   1.466
   47    HA   ARG  10           HA       ARG  10  -2.678   0.507   3.158
   48    HB3  ARG  10           2HB      ARG  10  -2.613   1.740   0.684
   49    HG3  ARG  10           2HG      ARG  10  -0.611   2.222   2.878
   50    HD3  ARG  10           2HD      ARG  10  -1.903   4.365   1.278
   51    HE   ARG  10           HE       ARG  10   0.198   4.319   3.053
   52   HH11  ARG  10          1HH1      ARG  10  -0.307   5.361  -0.231
   53   HH12  ARG  10          2HH1      ARG  10   0.878   6.623  -0.151
   54   HH21  ARG  10          1HH2      ARG  10   1.761   5.978   3.171
   55   HH22  ARG  10          2HH2      ARG  10   2.054   6.972   1.784
   56    H    ARG  11           H        ARG  11  -4.650   1.434   1.953
   57    HA   ARG  11           HA       ARG  11  -6.044  -0.823   0.685
   58    HB3  ARG  11           2HB      ARG  11  -8.106   0.614   1.339
   59    HG3  ARG  11           2HG      ARG  11  -6.483  -0.578   3.576
   60    HD3  ARG  11           2HD      ARG  11  -9.137  -1.180   3.952
   61    HE   ARG  11           HE       ARG  11  -7.252   0.165   5.404
   62   HH11  ARG  11          1HH1      ARG  11 -10.656   0.569   4.793
   63   HH12  ARG  11          2HH1      ARG  11 -10.977   1.306   6.328
   64   HH21  ARG  11          1HH2      ARG  11  -7.663   1.134   7.428
   65   HH22  ARG  11          2HH2      ARG  11  -9.274   1.628   7.827
   66    H    ASP  12           H        ASP  12  -4.648   0.162  -1.198
   67    HA   ASP  12           HA       ASP  12  -6.481   1.847  -2.744
   68    HB3  ASP  12           2HB      ASP  12  -5.006   3.542  -2.289
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -4.446  -0.834  -2.992
    2    HA2  GLY   1           2HA      GLY   1  -3.209  -1.952  -4.582
    3    HA3  GLY   1           3HA      GLY   1  -4.065  -0.897  -5.698
    4    H    SER   2           H        SER   2  -2.329   1.052  -3.684
    5    HA   SER   2           HA       SER   2  -0.297   1.467  -5.728
    6    HB3  SER   2           2HB      SER   2  -0.236   3.186  -3.339
    7    HG   SER   2           HG       SER   2   0.526   4.427  -4.838
    8    H    CYS   3           H        CYS   3   0.024  -0.917  -4.327
    9    HA   CYS   3           HA       CYS   3   1.674  -0.849  -2.091
   10    HB3  CYS   3           2HB      CYS   3   1.337  -2.812  -4.337
   11    H    PHE   4           H        PHE   4   3.778  -0.448  -1.740
   12    HA   PHE   4           HA       PHE   4   5.661  -0.374  -3.949
   13    HB3  PHE   4           2HB      PHE   4   6.425   1.956  -3.002
   14    HD1  PHE   4           1HD      PHE   4   6.420   0.872  -5.578
   15    HD2  PHE   4           2HD      PHE   4   3.474   3.379  -3.801
   16    HE1  PHE   4           1HE      PHE   4   5.725   1.634  -7.812
   17    HE2  PHE   4           2HE      PHE   4   2.776   4.145  -6.031
   18    HZ   PHE   4           HZ       PHE   4   3.901   3.273  -8.042
   19    H    GLY   5           H        GLY   5   6.448  -2.195  -2.702
   20    HA2  GLY   5           2HA      GLY   5   7.847  -3.187  -1.173
   21    HA3  GLY   5           3HA      GLY   5   8.688  -1.642  -1.171
   22    H    ALA   6           H        ALA   6   8.655  -0.444   0.634
   23    HA   ALA   6           HA       ALA   6   7.671  -1.511   3.044
   24    HB1  ALA   6           1HB      ALA   6   8.066   1.325   3.248
   25    HB2  ALA   6           2HB      ALA   6   9.035   0.010   3.914
   26    HB3  ALA   6           3HB      ALA   6   9.353   0.599   2.283
   27    H    PHE   7           H        PHE   7   6.114   0.244   0.586
   28    HA   PHE   7           HA       PHE   7   3.923   0.997   2.404
   29    HB3  PHE   7           2HB      PHE   7   3.243   2.631   0.752
   30    HD1  PHE   7           1HD      PHE   7   4.740   2.817   3.238
   31    HD2  PHE   7           2HD      PHE   7   5.926   3.770  -0.736
   32    HE1  PHE   7           1HE      PHE   7   6.372   4.435   4.117
   33    HE2  PHE   7           2HE      PHE   7   7.561   5.389   0.136
   34    HZ   PHE   7           HZ       PHE   7   7.786   5.721   2.566
   35    H    CYS   8           H        CYS   8   4.283  -1.679   1.491
   36    HA   CYS   8           HA       CYS   8   2.274  -2.058  -0.589
   37    HB3  CYS   8           2HB      CYS   8   3.626  -4.310   0.856
   38    H    PHE   9           H        PHE   9   1.847  -1.193   2.344
   39    HA   PHE   9           HA       PHE   9  -0.290  -3.142   2.900
   40    HB3  PHE   9           2HB      PHE   9   0.077  -2.907   5.264
   41    HD1  PHE   9           2HD      PHE   9   0.882  -4.946   3.362
   42    HD2  PHE   9           1HD      PHE   9   3.273  -2.411   5.808
   43    HE1  PHE   9           2HE      PHE   9   2.686  -6.620   3.328
   44    HE2  PHE   9           1HE      PHE   9   5.081  -4.081   5.776
   45    HZ   PHE   9           HZ       PHE   9   4.788  -6.189   4.535
   46    H    ARG  10           H        ARG  10  -1.406  -1.496   1.477
   47    HA   ARG  10           HA       ARG  10  -2.732   0.442   3.210
   48    HB3  ARG  10           2HB      ARG  10  -2.589   1.975   1.014
   49    HG3  ARG  10           2HG      ARG  10  -1.099   1.890   3.499
   50    HD3  ARG  10           2HD      ARG  10   0.147   3.725   1.547
   51    HE   ARG  10           HE       ARG  10   1.850   2.314   3.327
   52   HH11  ARG  10          1HH1      ARG  10  -0.579   4.805   3.212
   53   HH12  ARG  10          2HH1      ARG  10   0.005   5.623   4.623
   54   HH21  ARG  10          1HH2      ARG  10   2.628   3.381   5.187
   55   HH22  ARG  10          2HH2      ARG  10   1.832   4.813   5.744
   56    H    ARG  11           H        ARG  11  -4.724   1.318   2.203
   57    HA   ARG  11           HA       ARG  11  -6.033  -0.787   0.651
   58    HB3  ARG  11           2HB      ARG  11  -8.116   0.604   1.267
   59    HG3  ARG  11           2HG      ARG  11  -6.463  -0.845   3.308
   60    HD3  ARG  11           2HD      ARG  11  -9.002  -0.866   4.298
   61    HE   ARG  11           HE       ARG  11  -7.424   1.247   5.409
   62   HH11  ARG  11          1HH1      ARG  11  -7.657  -2.205   5.024
   63   HH12  ARG  11          2HH1      ARG  11  -6.727  -2.558   6.443
   64   HH21  ARG  11          1HH2      ARG  11  -6.200   0.796   7.279
   65   HH22  ARG  11          2HH2      ARG  11  -5.900  -0.849   7.726
   66    H    ASP  12           H        ASP  12  -4.772   0.003  -1.258
   67    HA   ASP  12           HA       ASP  12  -6.419   1.886  -2.750
   68    HB3  ASP  12           2HB      ASP  12  -4.892   3.510  -2.212
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -4.405  -0.804  -2.973
    2    HA2  GLY   1           2HA      GLY   1  -3.216  -1.903  -4.606
    3    HA3  GLY   1           3HA      GLY   1  -4.065  -0.823  -5.701
    4    H    SER   2           H        SER   2  -2.329   1.092  -3.663
    5    HA   SER   2           HA       SER   2  -0.283   1.517  -5.692
    6    HB3  SER   2           2HB      SER   2  -0.230   3.215  -3.284
    7    HG   SER   2           HG       SER   2  -0.772   4.472  -5.582
    8    H    CYS   3           H        CYS   3   0.021  -0.878  -4.309
    9    HA   CYS   3           HA       CYS   3   1.673  -0.819  -2.066
   10    HB3  CYS   3           2HB      CYS   3   1.289  -2.798  -4.291
   11    H    PHE   4           H        PHE   4   3.787  -0.449  -1.733
   12    HA   PHE   4           HA       PHE   4   5.654  -0.430  -3.955
   13    HB3  PHE   4           2HB      PHE   4   6.460   1.899  -3.018
   14    HD1  PHE   4           1HD      PHE   4   6.613   0.955  -5.565
   15    HD2  PHE   4           2HD      PHE   4   3.403   3.190  -3.886
   16    HE1  PHE   4           1HE      PHE   4   5.962   1.705  -7.818
   17    HE2  PHE   4           2HE      PHE   4   2.746   3.942  -6.135
   18    HZ   PHE   4           HZ       PHE   4   4.025   3.200  -8.103
   19    H    GLY   5           H        GLY   5   6.423  -2.251  -2.698
   20    HA2  GLY   5           2HA      GLY   5   7.818  -3.250  -1.170
   21    HA3  GLY   5           3HA      GLY   5   8.681  -1.719  -1.185
   22    H    ALA   6           H        ALA   6   8.681  -0.510   0.611
   23    HA   ALA   6           HA       ALA   6   7.693  -1.542   3.034
   24    HB1  ALA   6           1HB      ALA   6   9.363  -0.161   3.598
   25    HB2  ALA   6           2HB      ALA   6   9.141   0.846   2.167
   26    HB3  ALA   6           3HB      ALA   6   8.126   1.096   3.587
   27    H    PHE   7           H        PHE   7   6.153   0.224   0.573
   28    HA   PHE   7           HA       PHE   7   3.986   1.029   2.398
   29    HB3  PHE   7           2HB      PHE   7   3.293   2.601   0.629
   30    HD1  PHE   7           1HD      PHE   7   3.917   3.582   2.934
   31    HD2  PHE   7           2HD      PHE   7   6.671   3.123  -0.277
   32    HE1  PHE   7           1HE      PHE   7   5.383   5.273   3.956
   33    HE2  PHE   7           2HE      PHE   7   8.143   4.813   0.739
   34    HZ   PHE   7           HZ       PHE   7   7.500   5.890   2.859
   35    H    CYS   8           H        CYS   8   4.294  -1.662   1.507
   36    HA   CYS   8           HA       CYS   8   2.265  -2.024  -0.557
   37    HB3  CYS   8           2HB      CYS   8   3.587  -4.285   0.900
   38    H    PHE   9           H        PHE   9   1.873  -1.124   2.370
   39    HA   PHE   9           HA       PHE   9  -0.258  -3.063   2.989
   40    HB3  PHE   9           2HB      PHE   9   0.066  -2.500   5.380
   41    HD1  PHE   9           1HD      PHE   9   3.516  -2.451   4.137
   42    HD2  PHE   9           2HD      PHE   9   0.267  -4.887   5.411
   43    HE1  PHE   9           1HE      PHE   9   5.030  -4.383   4.293
   44    HE2  PHE   9           2HE      PHE   9   1.777  -6.822   5.571
   45    HZ   PHE   9           HZ       PHE   9   4.161  -6.572   5.011
   46    H    ARG  10           H        ARG  10  -1.354  -1.474   1.452
   47    HA   ARG  10           HA       ARG  10  -2.717   0.532   3.089
   48    HB3  ARG  10           2HB      ARG  10  -2.645   2.125   1.143
   49    HG3  ARG  10           2HG      ARG  10  -0.164   2.699   1.391
   50    HD3  ARG  10           2HD      ARG  10  -0.676   2.951   4.044
   51    HE   ARG  10           HE       ARG  10  -2.194   4.827   2.534
   52   HH11  ARG  10          1HH1      ARG  10   1.045   3.715   3.163
   53   HH12  ARG  10          2HH1      ARG  10   1.784   5.230   2.761
   54   HH21  ARG  10          1HH2      ARG  10  -1.234   6.827   2.001
   55   HH22  ARG  10          2HH2      ARG  10   0.485   7.000   2.102
   56    H    ARG  11           H        ARG  11  -4.746   1.295   2.068
   57    HA   ARG  11           HA       ARG  11  -6.028  -0.929   0.654
   58    HB3  ARG  11           2HB      ARG  11  -7.389   1.426   1.958
   59    HG3  ARG  11           2HG      ARG  11  -8.568  -1.291   1.834
   60    HD3  ARG  11           2HD      ARG  11 -10.339   0.777   1.092
   61    HE   ARG  11           HE       ARG  11 -10.262  -1.213   3.047
   62   HH11  ARG  11          1HH1      ARG  11 -11.533   1.997   2.600
   63   HH12  ARG  11          2HH1      ARG  11 -12.873   1.757   3.671
   64   HH21  ARG  11          1HH2      ARG  11 -12.024  -1.540   4.461
   65   HH22  ARG  11          2HH2      ARG  11 -13.151  -0.254   4.730
   66    H    ASP  12           H        ASP  12  -4.616   0.161  -1.176
   67    HA   ASP  12           HA       ASP  12  -6.476   1.841  -2.705
   68    HB3  ASP  12           2HB      ASP  12  -5.000   3.528  -2.219
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -4.388  -0.754  -2.921
    2    HA2  GLY   1           2HA      GLY   1  -3.248  -1.866  -4.578
    3    HA3  GLY   1           3HA      GLY   1  -4.094  -0.765  -5.655
    4    H    SER   2           H        SER   2  -2.315   1.136  -3.663
    5    HA   SER   2           HA       SER   2  -0.274   1.504  -5.707
    6    HB3  SER   2           2HB      SER   2  -0.186   3.236  -3.327
    7    HG   SER   2           HG       SER   2  -0.574   3.871  -6.063
    8    H    CYS   3           H        CYS   3   0.007  -0.875  -4.293
    9    HA   CYS   3           HA       CYS   3   1.666  -0.806  -2.058
   10    HB3  CYS   3           2HB      CYS   3   1.259  -2.805  -4.260
   11    H    PHE   4           H        PHE   4   3.786  -0.458  -1.732
   12    HA   PHE   4           HA       PHE   4   5.648  -0.478  -3.961
   13    HB3  PHE   4           2HB      PHE   4   6.502   1.831  -3.189
   14    HD1  PHE   4           1HD      PHE   4   6.012   0.618  -5.712
   15    HD2  PHE   4           2HD      PHE   4   3.634   3.469  -3.629
   16    HE1  PHE   4           1HE      PHE   4   5.062   1.385  -7.850
   17    HE2  PHE   4           2HE      PHE   4   2.680   4.238  -5.763
   18    HZ   PHE   4           HZ       PHE   4   3.393   3.196  -7.877
   19    H    GLY   5           H        GLY   5   6.397  -2.295  -2.685
   20    HA2  GLY   5           2HA      GLY   5   7.783  -3.297  -1.152
   21    HA3  GLY   5           3HA      GLY   5   8.665  -1.778  -1.187
   22    H    ALA   6           H        ALA   6   8.685  -0.541   0.593
   23    HA   ALA   6           HA       ALA   6   7.697  -1.532   3.034
   24    HB1  ALA   6           1HB      ALA   6   9.299   0.680   2.149
   25    HB2  ALA   6           2HB      ALA   6   8.148   1.212   3.375
   26    HB3  ALA   6           3HB      ALA   6   9.258  -0.113   3.725
   27    H    PHE   7           H        PHE   7   6.162   0.216   0.558
   28    HA   PHE   7           HA       PHE   7   4.011   1.063   2.380
   29    HB3  PHE   7           2HB      PHE   7   3.383   2.717   0.763
   30    HD1  PHE   7           2HD      PHE   7   4.625   3.436   3.004
   31    HD2  PHE   7           1HD      PHE   7   6.460   3.071  -0.821
   32    HE1  PHE   7           2HE      PHE   7   6.416   4.963   3.719
   33    HE2  PHE   7           1HE      PHE   7   8.255   4.595  -0.109
   34    HZ   PHE   7           HZ       PHE   7   8.234   5.546   2.163
   35    H    CYS   8           H        CYS   8   4.288  -1.640   1.517
   36    HA   CYS   8           HA       CYS   8   2.249  -2.005  -0.535
   37    HB3  CYS   8           2HB      CYS   8   3.554  -4.265   0.940
   38    H    PHE   9           H        PHE   9   1.876  -1.070   2.385
   39    HA   PHE   9           HA       PHE   9  -0.242  -3.006   3.057
   40    HB3  PHE   9           2HB      PHE   9   0.068  -2.192   5.436
   41    HD1  PHE   9           1HD      PHE   9  -0.072  -4.681   5.284
   42    HD2  PHE   9           2HD      PHE   9   3.544  -2.547   4.589
   43    HE1  PHE   9           1HE      PHE   9   1.213  -6.753   5.621
   44    HE2  PHE   9           2HE      PHE   9   4.834  -4.615   4.923
   45    HZ   PHE   9           HZ       PHE   9   3.669  -6.721   5.440
   46    H    ARG  10           H        ARG  10  -1.312  -1.459   1.425
   47    HA   ARG  10           HA       ARG  10  -2.741   0.569   2.984
   48    HB3  ARG  10           2HB      ARG  10  -2.691   2.028   0.878
   49    HG3  ARG  10           2HG      ARG  10   0.084   1.828   1.908
   50    HD3  ARG  10           2HD      ARG  10  -0.611   3.687   0.467
   51    HE   ARG  10           HE       ARG  10  -2.915   3.804   2.052
   52   HH11  ARG  10          1HH1      ARG  10  -0.555   5.932   0.631
   53   HH12  ARG  10          2HH1      ARG  10  -1.654   7.265   0.484
   54   HH21  ARG  10          1HH2      ARG  10  -4.370   5.550   1.862
   55   HH22  ARG  10          2HH2      ARG  10  -3.824   7.046   1.185
   56    H    ARG  11           H        ARG  11  -4.810   1.174   2.049
   57    HA   ARG  11           HA       ARG  11  -6.016  -1.087   0.637
   58    HB3  ARG  11           2HB      ARG  11  -8.170   0.202   1.279
   59    HG3  ARG  11           2HG      ARG  11  -7.945  -0.501   3.731
   60    HD3  ARG  11           2HD      ARG  11  -8.232  -2.002   1.323
   61    HE   ARG  11           HE       ARG  11  -6.675  -3.633   1.754
   62   HH11  ARG  11          1HH1      ARG  11  -8.320  -2.791   4.704
   63   HH12  ARG  11          2HH1      ARG  11  -7.632  -4.096   5.613
   64   HH21  ARG  11          1HH2      ARG  11  -5.761  -5.353   2.939
   65   HH22  ARG  11          2HH2      ARG  11  -6.175  -5.552   4.609
   66    H    ASP  12           H        ASP  12  -4.456   0.405  -1.019
   67    HA   ASP  12           HA       ASP  12  -6.419   1.918  -2.613
   68    HB3  ASP  12           2HB      ASP  12  -4.913   3.585  -2.151