*HEADER    PEPTIDE TOXIN                           24-AUG-00   1E75
*TITLE     NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT
*TITLE    2 MUTATION VARIANT R7L
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN IM1(R7L);
*COMPND   3 CHAIN: A;
*COMPND   4 MUTATION: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS IMPERIALIS;
*SOURCE   4 TISSUE: VENOM;
*SOURCE   5 OTHER_DETAILS: SYNTHESIZED USING STANDARD FMOC CHEMISTRY.
*SOURCE   6  IM1 SEQUENCE FOUND NATURALLY IN CONUS IMPERIALIS VENOM
*KEYWDS    PEPTIDE TOXIN, NEUROTOXIN, NEURONAL NICOTINIC ACETYLCHOLINE
*KEYWDS   2 RECEPTOR ANTAGONIST, ALPHA-CONOTOXIN, NMR SOLUTION
*KEYWDS   3 STRUCTURE
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    J.P.ROGERS,P.LUGINBUHL,K.PEMBERTON,P.HARTY,D.E.WEMMER,
*AUTHOR   2 R.C.STEVENS




Upper Distance Constraints
==========================
  1 GLY  HA1     2 CYS  HN      3.02                
  1 GLY  HA2     2 CYS  HN      3.02                
  1 GLY  QA      3 CYS  HN      5.17                
  2 CYS  HN      2 CYS  HB2     3.33                
  2 CYS  HN      2 CYS  HB3     3.33                
  2 CYS  HN      3 CYS  HN      3.52                
  2 CYS  HA      8 CYS  QB      4.99                
  2 CYS  QB      3 CYS  HN      4.05                
  2 CYS  QB     12 CYS  HA      4.74                
  3 CYS  HN      3 CYS  HB2     2.90                
  3 CYS  HN      4 SER  HN      3.24                
  3 CYS  HN      9 ALA  HA      4.69                
  3 CYS  HA      3 CYS  HB2     2.93                
  3 CYS  HA      3 CYS  HB3     2.90                
  3 CYS  HA      9 ALA  HA      2.62                
  3 CYS  HA     12 CYS  HN      4.01                
  3 CYS  HB2     4 SER  HN      4.82                
  4 SER  HN      4 SER  HB2     3.73                
  4 SER  HN      4 SER  HB3     3.73                
  4 SER  HA      4 SER  HB2     2.40                
  4 SER  HA      4 SER  HB3     2.40                
  5 ASP  HN      5 ASP  HB2     3.45                
  5 ASP  HN      5 ASP  HB3     3.14                
  5 ASP  HN      9 ALA  QB      6.53                
  5 ASP  HA      5 ASP  HB2     2.49                
  5 ASP  HA      5 ASP  HB3     2.40                
  5 ASP  HA      6 PRO  QD      3.52                
  6 PRO  HA      7 LEU  HN      3.33                
  6 PRO  HA      8 CYS  HN      3.52                
  6 PRO  HA      9 ALA  HN      3.95                
  6 PRO  HA      9 ALA  QB      5.16                
  6 PRO  HD2     7 LEU  HN      5.50                
  6 PRO  HD3     7 LEU  HN      5.50                
  6 PRO  QD      7 LEU  HN      5.28                
  7 LEU  HN      7 LEU  HG      3.45                
  7 LEU  HN      8 CYS  HN      2.74                
  7 LEU  HA      7 LEU  HG      4.11                
  7 LEU  HA      7 LEU  QD1     5.97                
  7 LEU  HA      7 LEU  QD2     5.97                
  8 CYS  HN      8 CYS  HB2     3.83                
  8 CYS  HN      8 CYS  HB3     3.83                
  8 CYS  HN      8 CYS  QB      3.39                
  8 CYS  HN      9 ALA  HN      2.52                
  8 CYS  HA      8 CYS  HB2     2.99                
  8 CYS  HA      8 CYS  HB3     2.99                
  8 CYS  HA      8 CYS  QB      2.58                
  8 CYS  HA      9 ALA  HN      3.27                
  8 CYS  HA     10 TRP  HD1     5.50                
  9 ALA  HN     10 TRP  HN      3.52                
  9 ALA  HA     11 ARG  HN      3.76                
  9 ALA  HA     12 CYS  HN      4.04                
 10 TRP  HN     10 TRP  HB2     3.33                
 10 TRP  HN     10 TRP  HB3     3.33                
 10 TRP  HN     10 TRP  QB      3.07                
 10 TRP  HN     10 TRP  HD1     2.99                
 10 TRP  HN     11 ARG  HN      3.02                
 10 TRP  HA     10 TRP  HD1     4.63                
 10 TRP  HA     11 ARG  HN      3.36                
 11 ARG  HN     11 ARG  QG      5.82                
 11 ARG  HN     12 CYS  HN      3.02                
 11 ARG  HA     12 CYS  HN      3.42                
 11 ARG  QB     11 ARG  HE      6.38                
 12 CYS  HN     12 CYS  QB      3.86                
 12 CYS  HN     13 NH2  2HN     4.72                

Dihedral Angle Constraints
==========================
   2 CYS   PHI    -185.0   -35.0
   2 CYS   CHI1   -255.0   -25.0
   2 CYS   CHI1    -45.0   295.0
   3 CYS   PHI     -65.0   -45.0
   3 CYS   CHI1   -335.0   -25.0
   4 SER   PHI    -155.0   -75.0
   4 SER   PHI     -95.0   215.0
   4 SER   CHI1     45.0    85.0
   5 ASP   PHI    -115.0   -35.0
   5 ASP   CHI1     25.0    85.0
   7 LEU   PHI      35.0   285.0
   7 LEU   PHI    -165.0    95.0
   7 LEU   PHI     -95.0   215.0
   7 LEU   CHI1   -125.0   135.0
   8 CYS   PHI    -155.0   -85.0
   8 CYS   CHI1   -325.0    15.0
   8 CYS   CHI1    -85.0   215.0
   9 ALA   PHI    -335.0   -25.0
   9 ALA   PHI    -205.0    95.0
  10 TRP   PHI     -65.0   -45.0
  10 TRP   CHI1     85.0   105.0
  11 ARG   PHI      25.0   305.0
  11 ARG   PHI    -285.0    45.0
  11 ARG   PHI    -175.0    95.0
  11 ARG   PHI     -75.0   195.0
  11 ARG   CHI1   -215.0   105.0
  12 CYS   PHI      35.0   295.0
  12 CYS   PHI    -285.0    45.0
  12 CYS   PHI    -175.0    95.0
  12 CYS   PHI     -75.0   205.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1 -16.873 -16.488   4.116
    2    H2   GLY   1           H2       GLY   1 -16.507 -17.273   2.715
    3    H3   GLY   1           H3       GLY   1 -16.027 -17.904   4.158
    4   1HA   GLY   1          2HA       GLY   1 -14.173 -16.897   3.045
    5   2HA   GLY   1          1HA       GLY   1 -14.572 -16.066   4.559
    6    H    CYS   2           H        CYS   2 -13.233 -14.418   3.322
    7    HA   CYS   2           HA       CYS   2 -14.756 -12.203   2.969
    8   1HB   CYS   2          1HB       CYS   2 -11.914 -12.956   2.637
    9   2HB   CYS   2          2HB       CYS   2 -12.401 -11.588   1.657
   10    H    CYS   3           H        CYS   3 -14.056 -14.438   0.304
   11    HA   CYS   3           HA       CYS   3 -14.435 -12.477  -1.774
   12   1HB   CYS   3          1HB       CYS   3 -14.486 -15.464  -1.846
   13   2HB   CYS   3          2HB       CYS   3 -14.769 -14.417  -3.226
   14    H    SER   4           H        SER   4 -16.573 -12.692   0.448
   15    HA   SER   4           HA       SER   4 -18.990 -13.150  -1.203
   16   1HB   SER   4          1HB       SER   4 -20.152 -13.197   0.974
   17   2HB   SER   4          2HB       SER   4 -19.100 -14.565   0.652
   18    HG   SER   4           HG       SER   4 -17.617 -13.850   2.103
   19    H    ASP   5           H        ASP   5 -17.953 -10.905   1.553
   20    HA   ASP   5           HA       ASP   5 -19.672  -8.884   0.537
   21   1HB   ASP   5          1HB       ASP   5 -18.623  -7.521   2.315
   22   2HB   ASP   5          2HB       ASP   5 -19.420  -8.974   2.871
   23    HA   PRO   6           HA       PRO   6 -16.731  -7.535  -2.426
   24   1HB   PRO   6          1HB       PRO   6 -17.775  -5.131  -3.243
   25   2HB   PRO   6          2HB       PRO   6 -18.502  -6.722  -3.627
   26   1HG   PRO   6          2HG       PRO   6 -19.239  -4.845  -1.359
   27   2HG   PRO   6          1HG       PRO   6 -20.338  -5.609  -2.534
   28   1HD   PRO   6          1HD       PRO   6 -19.940  -6.699  -0.086
   29   2HD   PRO   6          2HD       PRO   6 -20.086  -7.748  -1.531
   30    H    LEU   7           H        LEU   7 -17.184  -5.880   0.502
   31    HA   LEU   7           HA       LEU   7 -15.199  -3.844   0.325
   32   1HB   LEU   7          1HB       LEU   7 -16.395  -5.450   2.651
   33   2HB   LEU   7          2HB       LEU   7 -15.273  -4.122   2.853
   34    HG   LEU   7           HG       LEU   7 -16.884  -2.589   1.719
   35   1HD1  LEU   7          1HD1      LEU   7 -18.743  -4.988   1.889
   36   2HD1  LEU   7          2HD1      LEU   7 -19.325  -3.313   1.779
   37   3HD1  LEU   7          3HD1      LEU   7 -18.356  -3.967   0.473
   38   1HD2  LEU   7          1HD2      LEU   7 -16.651  -2.770   4.192
   39   2HD2  LEU   7          2HD2      LEU   7 -18.319  -2.392   3.743
   40   3HD2  LEU   7          3HD2      LEU   7 -17.886  -4.047   4.204
   41    H    CYS   8           H        CYS   8 -15.057  -7.345   0.741
   42    HA   CYS   8           HA       CYS   8 -12.129  -7.170   1.257
   43   1HB   CYS   8          1HB       CYS   8 -13.647  -7.956   3.145
   44   2HB   CYS   8          2HB       CYS   8 -13.978  -9.373   2.153
   45    H    ALA   9           H        ALA   9 -14.568  -8.264  -0.765
   46    HA   ALA   9           HA       ALA   9 -13.686 -10.720  -1.465
   47   1HB   ALA   9          1HB       ALA   9 -15.180 -10.637  -3.431
   48   2HB   ALA   9          2HB       ALA   9 -15.947  -9.881  -2.033
   49   3HB   ALA   9          3HB       ALA   9 -15.233  -8.871  -3.326
   50    H    TRP  10           H        TRP  10 -12.197  -7.785  -2.829
   51    HA   TRP  10           HA       TRP  10 -11.419  -8.821  -5.260
   52   1HB   TRP  10          1HB       TRP  10 -10.098  -6.986  -5.397
   53   2HB   TRP  10          2HB       TRP  10 -11.274  -6.444  -4.249
   54    HD1  TRP  10           HD1      TRP  10  -9.959  -7.421  -1.525
   55    HE1  TRP  10           HE1      TRP  10  -7.730  -6.414  -0.690
   56    HE3  TRP  10           HE3      TRP  10  -8.174  -5.562  -5.957
   57    HZ2  TRP  10           HZ2      TRP  10  -5.605  -4.831  -1.760
   58    HZ3  TRP  10           HZ3      TRP  10  -6.053  -4.270  -6.012
   59    HH2  TRP  10           HH2      TRP  10  -4.780  -3.867  -3.902
   60    H    ARG  11           H        ARG  11 -10.217  -9.673  -2.163
   61    HA   ARG  11           HA       ARG  11  -8.364 -11.648  -3.231
   62   1HB   ARG  11          1HB       ARG  11  -7.164  -9.377  -3.431
   63   2HB   ARG  11          2HB       ARG  11  -7.135  -9.298  -1.688
   64   1HG   ARG  11          1HG       ARG  11  -5.405 -10.795  -1.556
   65   2HG   ARG  11          2HG       ARG  11  -6.136 -11.880  -2.733
   66   1HD   ARG  11          1HD       ARG  11  -4.158 -11.219  -3.762
   67   2HD   ARG  11          2HD       ARG  11  -5.378 -10.248  -4.567
   68    HE   ARG  11           HE       ARG  11  -3.395  -9.387  -2.508
   69   1HH1  ARG  11          1HH1      ARG  11  -2.446  -7.338  -2.846
   70   2HH1  ARG  11          2HH1      ARG  11  -3.230  -6.156  -3.850
   71   1HH2  ARG  11          1HH2      ARG  11  -5.885  -8.242  -4.858
   72   2HH2  ARG  11          2HH2      ARG  11  -5.318  -6.623  -4.753
   73    H    CYS  12           H        CYS  12 -10.353 -12.537  -1.852
   74    HA   CYS  12           HA       CYS  12  -9.689 -12.692   0.990
   75   1HB   CYS  12          2HB       CYS  12 -11.132 -14.536   1.114
   76   2HB   CYS  12          1HB       CYS  12 -11.907 -13.286   0.154

  No H/Q in entry =          76
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1 -17.679 -13.755   5.406
    2    H2   GLY   1           H2       GLY   1 -18.014 -15.338   5.748
    3    H3   GLY   1           H3       GLY   1 -16.662 -14.617   6.374
    4   1HA   GLY   1          2HA       GLY   1 -17.186 -15.143   3.552
    5   2HA   GLY   1          1HA       GLY   1 -16.051 -16.047   4.554
    6    H    CYS   2           H        CYS   2 -15.332 -14.597   2.151
    7    HA   CYS   2           HA       CYS   2 -14.636 -11.909   2.899
    8   1HB   CYS   2          1HB       CYS   2 -12.609 -13.113   3.560
    9   2HB   CYS   2          2HB       CYS   2 -12.410 -13.726   1.923
   10    H    CYS   3           H        CYS   3 -14.203 -14.459   0.358
   11    HA   CYS   3           HA       CYS   3 -14.405 -12.886  -1.924
   12   1HB   CYS   3          1HB       CYS   3 -15.461 -15.624  -1.267
   13   2HB   CYS   3          2HB       CYS   3 -15.585 -14.935  -2.867
   14    H    SER   4           H        SER   4 -16.870 -13.730   0.414
   15    HA   SER   4           HA       SER   4 -19.228 -13.144  -1.067
   16   1HB   SER   4          1HB       SER   4 -20.194 -13.339   1.212
   17   2HB   SER   4          2HB       SER   4 -19.379 -14.730   0.532
   18    HG   SER   4           HG       SER   4 -18.460 -13.054   2.637
   19    H    ASP   5           H        ASP   5 -17.078 -10.894   0.932
   20    HA   ASP   5           HA       ASP   5 -19.274  -9.012   0.842
   21   1HB   ASP   5          1HB       ASP   5 -18.228  -7.986   2.615
   22   2HB   ASP   5          2HB       ASP   5 -18.674  -9.611   3.070
   23    HA   PRO   6           HA       PRO   6 -16.495  -7.413  -2.286
   24   1HB   PRO   6          1HB       PRO   6 -17.916  -5.190  -3.090
   25   2HB   PRO   6          2HB       PRO   6 -18.312  -6.873  -3.553
   26   1HG   PRO   6          1HG       PRO   6 -19.488  -5.237  -1.298
   27   2HG   PRO   6          2HG       PRO   6 -20.360  -6.214  -2.524
   28   1HD   PRO   6          1HD       PRO   6 -19.864  -7.152  -0.041
   29   2HD   PRO   6          2HD       PRO   6 -19.767  -8.233  -1.467
   30    H    LEU   7           H        LEU   7 -16.709  -6.289   0.779
   31    HA   LEU   7           HA       LEU   7 -14.997  -3.911   0.433
   32   1HB   LEU   7          1HB       LEU   7 -15.941  -5.535   2.814
   33   2HB   LEU   7          2HB       LEU   7 -14.650  -4.349   2.968
   34    HG   LEU   7           HG       LEU   7 -17.340  -3.592   1.786
   35   1HD1  LEU   7          1HD1      LEU   7 -16.486  -3.475   4.710
   36   2HD1  LEU   7          2HD1      LEU   7 -17.961  -2.764   4.028
   37   3HD1  LEU   7          3HD1      LEU   7 -17.761  -4.512   4.006
   38   1HD2  LEU   7          1HD2      LEU   7 -15.479  -1.995   1.384
   39   2HD2  LEU   7          2HD2      LEU   7 -16.698  -1.320   2.463
   40   3HD2  LEU   7          3HD2      LEU   7 -15.166  -1.925   3.130
   41    H    CYS   8           H        CYS   8 -14.680  -7.491   0.802
   42    HA   CYS   8           HA       CYS   8 -11.802  -7.075   0.283
   43   1HB   CYS   8          1HB       CYS   8 -11.091  -8.573   1.868
   44   2HB   CYS   8          2HB       CYS   8 -12.236  -7.550   2.708
   45    H    ALA   9           H        ALA   9 -14.532  -8.271  -1.084
   46    HA   ALA   9           HA       ALA   9 -14.077 -10.775  -1.817
   47   1HB   ALA   9          1HB       ALA   9 -15.266 -10.363  -3.950
   48   2HB   ALA   9          3HB       ALA   9 -16.033  -9.563  -2.576
   49   3HB   ALA   9          2HB       ALA   9 -15.049  -8.612  -3.727
   50    H    TRP  10           H        TRP  10 -12.592  -8.162  -3.963
   51    HA   TRP  10           HA       TRP  10 -11.050  -9.994  -5.404
   52   1HB   TRP  10          1HB       TRP  10 -10.125  -8.122  -6.321
   53   2HB   TRP  10          2HB       TRP  10 -11.628  -7.477  -5.755
   54    HD1  TRP  10           HD1      TRP  10 -11.428  -5.958  -3.385
   55    HE1  TRP  10           HE1      TRP  10  -9.508  -4.409  -2.607
   56    HE3  TRP  10           HE3      TRP  10  -7.649  -7.762  -6.335
   57    HZ2  TRP  10           HZ2      TRP  10  -6.678  -4.172  -3.033
   58    HZ3  TRP  10           HZ3      TRP  10  -5.381  -6.786  -6.200
   59    HH2  TRP  10           HH2      TRP  10  -4.884  -4.972  -4.564
   60    H    ARG  11           H        ARG  11 -10.669  -9.051  -2.153
   61    HA   ARG  11           HA       ARG  11  -7.756  -9.355  -1.958
   62   1HB   ARG  11          1HB       ARG  11  -9.676  -7.909  -0.548
   63   2HB   ARG  11          2HB       ARG  11  -9.412  -9.276   0.517
   64   1HG   ARG  11          1HG       ARG  11  -7.176  -7.475  -0.532
   65   2HG   ARG  11          2HG       ARG  11  -8.118  -7.148   0.914
   66   1HD   ARG  11          2HD       ARG  11  -6.276  -8.184   1.818
   67   2HD   ARG  11          1HD       ARG  11  -7.446  -9.488   1.736
   68    HE   ARG  11           HE       ARG  11  -6.318 -10.440  -0.122
   69   1HH1  ARG  11          1HH1      ARG  11  -4.309 -10.933  -1.205
   70   2HH1  ARG  11          2HH1      ARG  11  -2.977  -9.849  -1.021
   71   1HH2  ARG  11          1HH2      ARG  11  -4.487  -7.781   1.397
   72   2HH2  ARG  11          2HH2      ARG  11  -3.022  -8.123   0.579
   73    H    CYS  12           H        CYS  12 -10.658 -11.275  -1.775
   74    HA   CYS  12           HA       CYS  12  -9.519 -13.615  -0.450
   75   1HB   CYS  12          1HB       CYS  12 -11.959 -12.877  -0.483
   76   2HB   CYS  12          2HB       CYS  12 -11.976 -13.263  -2.193

  No H/Q in entry =          76
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1 -17.567 -15.339   5.263
    2    H2   GLY   1           H2       GLY   1 -18.049 -16.118   3.907
    3    H3   GLY   1           H3       GLY   1 -17.348 -16.970   5.128
    4   1HA   GLY   1          2HA       GLY   1 -15.802 -16.647   3.311
    5   2HA   GLY   1          1HA       GLY   1 -15.273 -15.877   4.814
    6    H    CYS   2           H        CYS   2 -14.073 -14.281   3.956
    7    HA   CYS   2           HA       CYS   2 -15.295 -11.808   3.188
    8   1HB   CYS   2          1HB       CYS   2 -12.688 -12.847   3.975
    9   2HB   CYS   2          2HB       CYS   2 -12.506 -11.840   2.565
   10    H    CYS   3           H        CYS   3 -14.614 -14.521   1.251
   11    HA   CYS   3           HA       CYS   3 -14.092 -13.239  -1.282
   12   1HB   CYS   3          1HB       CYS   3 -15.270 -15.864  -0.431
   13   2HB   CYS   3          2HB       CYS   3 -15.161 -15.401  -2.115
   14    H    SER   4           H        SER   4 -16.965 -13.347   0.742
   15    HA   SER   4           HA       SER   4 -18.755 -13.390  -1.583
   16   1HB   SER   4          1HB       SER   4 -20.533 -13.563   0.087
   17   2HB   SER   4          2HB       SER   4 -19.313 -14.829   0.209
   18    HG   SER   4           HG       SER   4 -18.377 -13.581   1.983
   19    H    ASP   5           H        ASP   5 -17.617 -10.843   0.747
   20    HA   ASP   5           HA       ASP   5 -19.526  -9.002  -0.425
   21   1HB   ASP   5          1HB       ASP   5 -19.369  -7.887   1.600
   22   2HB   ASP   5          2HB       ASP   5 -19.705  -9.565   1.959
   23    HA   PRO   6           HA       PRO   6 -16.073  -7.252  -2.467
   24   1HB   PRO   6          1HB       PRO   6 -17.002  -4.729  -3.134
   25   2HB   PRO   6          2HB       PRO   6 -17.533  -6.243  -3.921
   26   1HG   PRO   6          1HG       PRO   6 -18.854  -4.745  -1.643
   27   2HG   PRO   6          2HG       PRO   6 -19.616  -5.381  -3.140
   28   1HD   PRO   6          1HD       PRO   6 -19.725  -6.731  -0.793
   29   2HD   PRO   6          2HD       PRO   6 -19.493  -7.610  -2.336
   30    H    LEU   7           H        LEU   7 -16.772  -6.239   0.665
   31    HA   LEU   7           HA       LEU   7 -14.833  -4.055   0.752
   32   1HB   LEU   7          1HB       LEU   7 -15.958  -5.827   2.951
   33   2HB   LEU   7          2HB       LEU   7 -14.940  -4.426   3.227
   34    HG   LEU   7           HG       LEU   7 -17.614  -4.256   1.788
   35   1HD1  LEU   7          1HD1      LEU   7 -17.943  -5.107   4.091
   36   2HD1  LEU   7          2HD1      LEU   7 -17.090  -3.675   4.721
   37   3HD1  LEU   7          3HD1      LEU   7 -18.620  -3.490   3.849
   38   1HD2  LEU   7          1HD2      LEU   7 -15.849  -2.142   3.102
   39   2HD2  LEU   7          2HD2      LEU   7 -16.127  -2.343   1.354
   40   3HD2  LEU   7          3HD2      LEU   7 -17.460  -1.850   2.402
   41    H    CYS   8           H        CYS   8 -14.724  -7.650   0.837
   42    HA   CYS   8           HA       CYS   8 -11.788  -7.324   0.808
   43   1HB   CYS   8          1HB       CYS   8 -12.141  -9.823   1.824
   44   2HB   CYS   8          2HB       CYS   8 -11.703  -8.382   2.746
   45    H    ALA   9           H        ALA   9 -14.506  -8.719  -0.593
   46    HA   ALA   9           HA       ALA   9 -13.495 -11.042  -1.693
   47   1HB   ALA   9          1HB       ALA   9 -15.264 -10.967  -3.357
   48   2HB   ALA   9          2HB       ALA   9 -15.872 -10.445  -1.786
   49   3HB   ALA   9          3HB       ALA   9 -15.524  -9.242  -3.054
   50    H    TRP  10           H        TRP  10 -12.921  -7.805  -2.834
   51    HA   TRP  10           HA       TRP  10 -11.568  -8.089  -5.192
   52   1HB   TRP  10          1HB       TRP  10 -10.719  -6.023  -4.707
   53   2HB   TRP  10          2HB       TRP  10 -12.280  -6.058  -3.930
   54    HD1  TRP  10           HD1      TRP  10 -12.395  -5.662  -1.424
   55    HE1  TRP  10           HE1      TRP  10 -10.840  -4.741   0.326
   56    HE3  TRP  10           HE3      TRP  10  -7.962  -6.156  -3.972
   57    HZ2  TRP  10           HZ2      TRP  10  -8.029  -4.019   0.516
   58    HZ3  TRP  10           HZ3      TRP  10  -5.874  -5.263  -3.003
   59    HH2  TRP  10           HH2      TRP  10  -5.887  -4.176  -0.767
   60    H    ARG  11           H        ARG  11 -10.563  -9.603  -2.316
   61    HA   ARG  11           HA       ARG  11  -8.395 -10.929  -3.705
   62   1HB   ARG  11          1HB       ARG  11  -6.614 -10.330  -2.092
   63   2HB   ARG  11          2HB       ARG  11  -7.140  -8.950  -3.050
   64   1HG   ARG  11          1HG       ARG  11  -8.514  -8.127  -1.165
   65   2HG   ARG  11          2HG       ARG  11  -8.059  -9.547  -0.210
   66   1HD   ARG  11          1HD       ARG  11  -5.713  -8.855  -0.208
   67   2HD   ARG  11          2HD       ARG  11  -6.078  -7.527  -1.312
   68    HE   ARG  11           HE       ARG  11  -6.850  -6.269   0.388
   69   1HH1  ARG  11          1HH1      ARG  11  -7.447  -5.741   2.563
   70   2HH1  ARG  11          2HH1      ARG  11  -7.566  -7.000   3.750
   71   1HH2  ARG  11          1HH2      ARG  11  -6.671  -9.634   1.622
   72   2HH2  ARG  11          2HH2      ARG  11  -7.520  -9.231   3.088
   73    H    CYS  12           H        CYS  12 -10.984 -11.426  -2.198
   74    HA   CYS  12           HA       CYS  12 -11.943 -12.366  -0.380
   75   1HB   CYS  12          1HB       CYS  12 -10.932 -14.251  -1.789
   76   2HB   CYS  12          2HB       CYS  12  -9.716 -14.397  -0.528

  No H/Q in entry =          76
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1 -18.698 -14.165   2.875
    2    H2   GLY   1           H2       GLY   1 -18.933 -14.770   4.402
    3    H3   GLY   1           H3       GLY   1 -18.618 -13.166   4.186
    4   1HA   GLY   1          2HA       GLY   1 -16.760 -15.357   3.619
    5   2HA   GLY   1          1HA       GLY   1 -16.680 -14.223   4.996
    6    H    CYS   2           H        CYS   2 -14.463 -13.791   3.962
    7    HA   CYS   2           HA       CYS   2 -14.430 -11.260   2.891
    8   1HB   CYS   2          1HB       CYS   2 -12.506 -13.383   3.388
    9   2HB   CYS   2          2HB       CYS   2 -12.091 -12.517   1.925
   10    H    CYS   3           H        CYS   3 -14.283 -14.334   1.043
   11    HA   CYS   3           HA       CYS   3 -13.880 -13.017  -1.466
   12   1HB   CYS   3          1HB       CYS   3 -13.358 -15.419  -0.812
   13   2HB   CYS   3          2HB       CYS   3 -15.062 -15.729  -1.114
   14    H    SER   4           H        SER   4 -16.828 -13.256   0.400
   15    HA   SER   4           HA       SER   4 -18.453 -12.912  -2.061
   16   1HB   SER   4          1HB       SER   4 -20.356 -13.341  -0.723
   17   2HB   SER   4          2HB       SER   4 -19.199 -14.659  -0.524
   18    HG   SER   4           HG       SER   4 -20.198 -12.795   1.239
   19    H    ASP   5           H        ASP   5 -17.669 -11.354   1.111
   20    HA   ASP   5           HA       ASP   5 -19.460  -9.239   0.737
   21   1HB   ASP   5          1HB       ASP   5 -18.715  -8.382   2.701
   22   2HB   ASP   5          2HB       ASP   5 -18.548 -10.105   2.870
   23    HA   PRO   6           HA       PRO   6 -17.340  -6.998  -2.200
   24   1HB   PRO   6          1HB       PRO   6 -18.444  -4.524  -2.148
   25   2HB   PRO   6          2HB       PRO   6 -19.458  -5.976  -2.435
   26   1HG   PRO   6          2HG       PRO   6 -19.014  -4.532   0.189
   27   2HG   PRO   6          1HG       PRO   6 -20.575  -5.000  -0.558
   28   1HD   PRO   6          1HD       PRO   6 -19.302  -6.544   1.329
   29   2HD   PRO   6          2HD       PRO   6 -20.259  -7.267   0.005
   30    H    LEU   7           H        LEU   7 -16.665  -6.237   1.036
   31    HA   LEU   7           HA       LEU   7 -14.682  -4.173   0.311
   32   1HB   LEU   7          2HB       LEU   7 -14.441  -3.611   2.550
   33   2HB   LEU   7          1HB       LEU   7 -16.130  -3.505   2.122
   34    HG   LEU   7           HG       LEU   7 -15.091  -5.946   3.596
   35   1HD1  LEU   7          1HD1      LEU   7 -14.323  -3.916   4.806
   36   2HD1  LEU   7          2HD1      LEU   7 -15.985  -3.329   4.864
   37   3HD1  LEU   7          3HD1      LEU   7 -15.550  -4.830   5.714
   38   1HD2  LEU   7          1HD2      LEU   7 -17.490  -5.918   2.739
   39   2HD2  LEU   7          2HD2      LEU   7 -17.388  -5.996   4.495
   40   3HD2  LEU   7          3HD2      LEU   7 -17.776  -4.455   3.694
   41    H    CYS   8           H        CYS   8 -14.873  -7.484   0.363
   42    HA   CYS   8           HA       CYS   8 -11.931  -7.604   0.569
   43   1HB   CYS   8          1HB       CYS   8 -13.115  -8.154   2.754
   44   2HB   CYS   8          2HB       CYS   8 -13.741  -9.569   1.938
   45    H    ALA   9           H        ALA   9 -14.629  -8.396  -1.247
   46    HA   ALA   9           HA       ALA   9 -14.063 -10.917  -2.233
   47   1HB   ALA   9          1HB       ALA   9 -15.341 -10.262  -4.259
   48   2HB   ALA   9          3HB       ALA   9 -16.145  -9.761  -2.766
   49   3HB   ALA   9          2HB       ALA   9 -15.265  -8.561  -3.752
   50    H    TRP  10           H        TRP  10 -12.497  -7.837  -3.290
   51    HA   TRP  10           HA       TRP  10 -10.996  -8.895  -5.381
   52   1HB   TRP  10          1HB       TRP  10  -9.783  -6.941  -5.161
   53   2HB   TRP  10          2HB       TRP  10 -11.340  -6.475  -4.543
   54    HD1  TRP  10           HD1      TRP  10 -11.472  -6.305  -1.765
   55    HE1  TRP  10           HE1      TRP  10  -9.738  -5.466  -0.117
   56    HE3  TRP  10           HE3      TRP  10  -7.280  -6.698  -4.701
   57    HZ2  TRP  10           HZ2      TRP  10  -6.855  -5.200   0.029
   58    HZ3  TRP  10           HZ3      TRP  10  -5.077  -6.014  -3.800
   59    HH2  TRP  10           HH2      TRP  10  -4.841  -5.306  -1.437
   60    H    ARG  11           H        ARG  11 -10.634  -9.243  -1.983
   61    HA   ARG  11           HA       ARG  11  -7.840 -10.107  -1.978
   62   1HB   ARG  11          1HB       ARG  11  -9.360  -8.831  -0.140
   63   2HB   ARG  11          2HB       ARG  11  -9.650 -10.482   0.388
   64   1HG   ARG  11          1HG       ARG  11  -6.933  -9.124   0.155
   65   2HG   ARG  11          2HG       ARG  11  -7.896  -9.312   1.614
   66   1HD   ARG  11          2HD       ARG  11  -6.511 -11.078   1.939
   67   2HD   ARG  11          1HD       ARG  11  -7.777 -11.899   1.059
   68    HE   ARG  11           HE       ARG  11  -6.318 -12.280  -0.686
   69   1HH1  ARG  11          1HH1      ARG  11  -4.226 -12.430  -1.541
   70   2HH1  ARG  11          2HH1      ARG  11  -2.923 -11.398  -0.980
   71   1HH2  ARG  11          1HH2      ARG  11  -4.956  -9.765   1.430
   72   2HH2  ARG  11          2HH2      ARG  11  -3.360  -9.869   0.761
   73    H    CYS  12           H        CYS  12 -11.021 -11.468  -1.489
   74    HA   CYS  12           HA       CYS  12 -11.791 -13.487  -0.821
   75   1HB   CYS  12          1HB       CYS  12 -10.078 -14.384  -3.139
   76   2HB   CYS  12          2HB       CYS  12 -11.123 -15.472  -2.241

  No H/Q in entry =          76
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1 -17.084 -14.813   5.113
    2    H2   GLY   1           H2       GLY   1 -17.789 -15.788   3.989
    3    H3   GLY   1           H3       GLY   1 -17.040 -16.450   5.299
    4   1HA   GLY   1          2HA       GLY   1 -15.637 -16.655   3.319
    5   2HA   GLY   1          1HA       GLY   1 -14.920 -15.689   4.597
    6    H    CYS   2           H        CYS   2 -13.808 -14.170   3.619
    7    HA   CYS   2           HA       CYS   2 -15.156 -11.868   2.972
    8   1HB   CYS   2          1HB       CYS   2 -12.340 -12.772   3.031
    9   2HB   CYS   2          2HB       CYS   2 -12.648 -11.465   1.915
   10    H    CYS   3           H        CYS   3 -14.384 -14.376   0.597
   11    HA   CYS   3           HA       CYS   3 -14.327 -12.557  -1.650
   12   1HB   CYS   3          1HB       CYS   3 -14.429 -15.517  -1.412
   13   2HB   CYS   3          2HB       CYS   3 -14.895 -14.723  -2.915
   14    H    SER   4           H        SER   4 -16.914 -13.518   0.360
   15    HA   SER   4           HA       SER   4 -18.965 -13.320  -1.745
   16   1HB   SER   4          1HB       SER   4 -20.537 -13.727   0.089
   17   2HB   SER   4          2HB       SER   4 -19.308 -14.982  -0.072
   18    HG   SER   4           HG       SER   4 -18.165 -13.943   1.690
   19    H    ASP   5           H        ASP   5 -18.276 -11.535   1.344
   20    HA   ASP   5           HA       ASP   5 -19.951  -9.344   0.671
   21   1HB   ASP   5          1HB       ASP   5 -18.891  -8.371   2.748
   22   2HB   ASP   5          2HB       ASP   5 -19.854  -9.825   2.927
   23    HA   PRO   6           HA       PRO   6 -16.743  -7.386  -1.745
   24   1HB   PRO   6          1HB       PRO   6 -17.930  -4.963  -2.264
   25   2HB   PRO   6          2HB       PRO   6 -18.433  -6.490  -3.054
   26   1HG   PRO   6          2HG       PRO   6 -19.669  -5.160  -0.623
   27   2HG   PRO   6          1HG       PRO   6 -20.494  -5.781  -2.095
   28   1HD   PRO   6          1HD       PRO   6 -20.323  -7.262   0.175
   29   2HD   PRO   6          2HD       PRO   6 -20.164  -8.031  -1.435
   30    H    LEU   7           H        LEU   7 -15.518  -5.376  -1.662
   31    HA   LEU   7           HA       LEU   7 -14.127  -3.858  -0.704
   32   1HB   LEU   7          1HB       LEU   7 -15.553  -4.127   1.960
   33   2HB   LEU   7          2HB       LEU   7 -14.285  -3.001   1.557
   34    HG   LEU   7           HG       LEU   7 -17.087  -3.021   0.372
   35   1HD1  LEU   7          1HD1      LEU   7 -16.938  -2.216   2.705
   36   2HD1  LEU   7          2HD1      LEU   7 -15.672  -1.065   2.237
   37   3HD1  LEU   7          3HD1      LEU   7 -17.321  -0.892   1.595
   38   1HD2  LEU   7          1HD2      LEU   7 -14.694  -1.221  -0.208
   39   2HD2  LEU   7          2HD2      LEU   7 -15.599  -2.234  -1.362
   40   3HD2  LEU   7          3HD2      LEU   7 -16.371  -0.827  -0.643
   41    H    CYS   8           H        CYS   8 -14.772  -6.978   0.530
   42    HA   CYS   8           HA       CYS   8 -11.886  -7.245   1.258
   43   1HB   CYS   8          1HB       CYS   8 -13.704  -7.653   3.029
   44   2HB   CYS   8          2HB       CYS   8 -14.062  -9.123   2.113
   45    H    ALA   9           H        ALA   9 -14.391  -8.359  -0.682
   46    HA   ALA   9           HA       ALA   9 -13.415 -10.829  -1.427
   47   1HB   ALA   9          1HB       ALA   9 -15.021 -10.705  -3.333
   48   2HB   ALA   9          2HB       ALA   9 -15.735 -10.082  -1.826
   49   3HB   ALA   9          3HB       ALA   9 -15.156  -8.955  -3.076
   50    H    TRP  10           H        TRP  10 -12.201  -7.816  -2.646
   51    HA   TRP  10           HA       TRP  10 -11.424  -8.467  -5.186
   52   1HB   TRP  10          1HB       TRP  10 -10.151  -6.546  -5.052
   53   2HB   TRP  10          2HB       TRP  10 -11.313  -6.261  -3.781
   54    HD1  TRP  10           HD1      TRP  10 -10.374  -6.307  -1.223
   55    HE1  TRP  10           HE1      TRP  10  -8.001  -6.112  -0.257
   56    HE3  TRP  10           HE3      TRP  10  -7.683  -7.122  -5.502
   57    HZ2  TRP  10           HZ2      TRP  10  -5.308  -6.233  -1.228
   58    HZ3  TRP  10           HZ3      TRP  10  -5.216  -7.073  -5.458
   59    HH2  TRP  10           HH2      TRP  10  -4.004  -6.643  -3.327
   60    H    ARG  11           H        ARG  11  -9.964  -9.402  -2.217
   61    HA   ARG  11           HA       ARG  11  -8.627 -11.675  -3.336
   62   1HB   ARG  11          1HB       ARG  11  -6.957  -9.897  -3.907
   63   2HB   ARG  11          2HB       ARG  11  -6.797  -9.484  -2.214
   64   1HG   ARG  11          1HG       ARG  11  -6.198 -12.263  -3.357
   65   2HG   ARG  11          2HG       ARG  11  -5.028 -10.954  -3.270
   66   1HD   ARG  11          1HD       ARG  11  -5.565 -10.857  -0.745
   67   2HD   ARG  11          2HD       ARG  11  -6.215 -12.485  -0.967
   68    HE   ARG  11           HE       ARG  11  -3.476 -11.504  -1.150
   69   1HH1  ARG  11          1HH1      ARG  11  -1.767 -13.013  -1.073
   70   2HH1  ARG  11          2HH1      ARG  11  -1.990 -14.670  -1.474
   71   1HH2  ARG  11          1HH2      ARG  11  -5.554 -14.345  -1.791
   72   2HH2  ARG  11          2HH2      ARG  11  -4.220 -15.459  -1.871
   73    H    CYS  12           H        CYS  12 -10.247 -12.433  -1.804
   74    HA   CYS  12           HA       CYS  12 -10.426 -11.594   0.868
   75   1HB   CYS  12          1HB       CYS  12 -11.890 -13.545   1.062
   76   2HB   CYS  12          2HB       CYS  12 -12.210 -12.583  -0.382

  No H/Q in entry =          76
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1 -17.397 -13.879   4.837
    2    H2   GLY   1           H2       GLY   1 -17.481 -15.277   3.974
    3    H3   GLY   1           H3       GLY   1 -17.262 -15.334   5.608
    4   1HA   GLY   1          2HA       GLY   1 -15.192 -15.764   4.409
    5   2HA   GLY   1          1HA       GLY   1 -15.132 -14.317   5.441
    6    H    CYS   2           H        CYS   2 -13.656 -13.156   4.262
    7    HA   CYS   2           HA       CYS   2 -14.530 -11.089   3.112
    8   1HB   CYS   2          1HB       CYS   2 -11.948 -12.592   3.003
    9   2HB   CYS   2          2HB       CYS   2 -12.092 -11.236   1.916
   10    H    CYS   3           H        CYS   3 -13.468 -13.750   0.963
   11    HA   CYS   3           HA       CYS   3 -13.576 -12.464  -1.467
   12   1HB   CYS   3          1HB       CYS   3 -14.331 -15.300  -0.812
   13   2HB   CYS   3          2HB       CYS   3 -14.049 -14.690  -2.430
   14    H    SER   4           H        SER   4 -16.461 -13.598   0.385
   15    HA   SER   4           HA       SER   4 -18.136 -13.500  -2.013
   16   1HB   SER   4          1HB       SER   4 -19.950 -13.947  -0.385
   17   2HB   SER   4          2HB       SER   4 -18.739 -15.195  -0.655
   18    HG   SER   4           HG       SER   4 -19.157 -13.628   1.640
   19    H    ASP   5           H        ASP   5 -17.147 -11.035   0.438
   20    HA   ASP   5           HA       ASP   5 -19.608  -9.599  -0.100
   21   1HB   ASP   5          1HB       ASP   5 -19.455  -8.806   1.946
   22   2HB   ASP   5          2HB       ASP   5 -18.927 -10.439   2.132
   23    HA   PRO   6           HA       PRO   6 -17.313  -6.698  -2.441
   24   1HB   PRO   6          1HB       PRO   6 -18.846  -4.432  -2.388
   25   2HB   PRO   6          2HB       PRO   6 -19.410  -5.955  -3.125
   26   1HG   PRO   6          2HG       PRO   6 -19.948  -4.950  -0.303
   27   2HG   PRO   6          1HG       PRO   6 -21.144  -5.493  -1.516
   28   1HD   PRO   6          1HD       PRO   6 -20.215  -7.174   0.403
   29   2HD   PRO   6          2HD       PRO   6 -20.514  -7.764  -1.260
   30    H    LEU   7           H        LEU   7 -17.299  -6.364   0.918
   31    HA   LEU   7           HA       LEU   7 -15.690  -3.868   0.859
   32   1HB   LEU   7          1HB       LEU   7 -16.921  -5.330   3.211
   33   2HB   LEU   7          2HB       LEU   7 -15.944  -3.874   3.289
   34    HG   LEU   7           HG       LEU   7 -18.620  -4.019   1.816
   35   1HD1  LEU   7          1HD1      LEU   7 -17.977  -3.088   4.622
   36   2HD1  LEU   7          2HD1      LEU   7 -19.485  -2.716   3.769
   37   3HD1  LEU   7          3HD1      LEU   7 -19.069  -4.396   4.136
   38   1HD2  LEU   7          1HD2      LEU   7 -16.857  -1.671   2.639
   39   2HD2  LEU   7          2HD2      LEU   7 -17.251  -2.198   0.990
   40   3HD2  LEU   7          3HD2      LEU   7 -18.513  -1.522   2.007
   41    H    CYS   8           H        CYS   8 -15.348  -7.224   0.498
   42    HA   CYS   8           HA       CYS   8 -12.519  -6.972   1.179
   43   1HB   CYS   8          1HB       CYS   8 -13.897  -7.658   3.248
   44   2HB   CYS   8          2HB       CYS   8 -14.072  -9.201   2.418
   45    H    ALA   9           H        ALA   9 -14.262  -7.526  -1.271
   46    HA   ALA   9           HA       ALA   9 -13.704 -10.264  -2.115
   47   1HB   ALA   9          1HB       ALA   9 -14.695  -9.405  -4.263
   48   2HB   ALA   9          3HB       ALA   9 -15.740  -9.102  -2.869
   49   3HB   ALA   9          2HB       ALA   9 -14.764  -7.783  -3.563
   50    H    TRP  10           H        TRP  10 -11.335  -8.710  -1.313
   51    HA   TRP  10           HA       TRP  10  -9.813  -7.834  -3.487
   52   1HB   TRP  10          1HB       TRP  10  -8.159  -7.623  -1.913
   53   2HB   TRP  10          2HB       TRP  10  -9.612  -7.347  -1.012
   54    HD1  TRP  10           HD1      TRP  10 -10.194  -9.045   0.898
   55    HE1  TRP  10           HE1      TRP  10  -8.830 -10.742   2.234
   56    HE3  TRP  10           HE3      TRP  10  -6.101  -9.382  -2.160
   57    HZ2  TRP  10           HZ2      TRP  10  -6.311 -12.104   1.996
   58    HZ3  TRP  10           HZ3      TRP  10  -4.215 -10.868  -1.546
   59    HH2  TRP  10           HH2      TRP  10  -4.320 -12.247   0.524
   60    H    ARG  11           H        ARG  11 -10.971 -10.850  -3.426
   61    HA   ARG  11           HA       ARG  11 -10.396 -12.862  -4.219
   62   1HB   ARG  11          1HB       ARG  11  -9.288 -11.414  -5.985
   63   2HB   ARG  11          2HB       ARG  11  -7.742 -11.865  -5.265
   64   1HG   ARG  11          1HG       ARG  11  -8.169 -14.227  -5.685
   65   2HG   ARG  11          2HG       ARG  11  -9.828 -13.895  -6.185
   66   1HD   ARG  11          1HD       ARG  11  -7.300 -13.067  -7.658
   67   2HD   ARG  11          2HD       ARG  11  -8.464 -14.290  -8.144
   68    HE   ARG  11           HE       ARG  11 -10.129 -12.603  -8.528
   69   1HH1  ARG  11          1HH1      ARG  11 -10.676 -10.511  -9.308
   70   2HH1  ARG  11          2HH1      ARG  11  -9.424  -9.355  -9.635
   71   1HH2  ARG  11          1HH2      ARG  11  -6.872 -11.225  -8.081
   72   2HH2  ARG  11          2HH2      ARG  11  -7.247  -9.742  -8.855
   73    H    CYS  12           H        CYS  12 -10.514 -12.854  -1.851
   74    HA   CYS  12           HA       CYS  12  -8.198 -12.992  -0.222
   75   1HB   CYS  12          1HB       CYS  12  -9.649 -13.428   1.517
   76   2HB   CYS  12          2HB       CYS  12 -10.645 -12.500   0.409

  No H/Q in entry =          76
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1 -17.453 -13.474   6.246
    2    H2   GLY   1           H2       GLY   1 -18.161 -12.834   4.911
    3    H3   GLY   1           H3       GLY   1 -18.673 -14.296   5.492
    4   1HA   GLY   1          2HA       GLY   1 -17.332 -14.593   3.544
    5   2HA   GLY   1          1HA       GLY   1 -16.574 -15.305   4.985
    6    H    CYS   2           H        CYS   2 -15.465 -14.100   2.399
    7    HA   CYS   2           HA       CYS   2 -14.470 -11.502   3.123
    8   1HB   CYS   2          1HB       CYS   2 -12.803 -13.590   3.874
    9   2HB   CYS   2          2HB       CYS   2 -12.192 -13.188   2.277
   10    H    CYS   3           H        CYS   3 -14.005 -14.331   0.934
   11    HA   CYS   3           HA       CYS   3 -13.988 -12.785  -1.504
   12   1HB   CYS   3          1HB       CYS   3 -13.040 -15.130  -0.995
   13   2HB   CYS   3          2HB       CYS   3 -14.688 -15.669  -1.305
   14    H    SER   4           H        SER   4 -16.408 -12.789   0.607
   15    HA   SER   4           HA       SER   4 -18.724 -13.632  -0.956
   16   1HB   SER   4          1HB       SER   4 -19.806 -13.073   1.206
   17   2HB   SER   4          2HB       SER   4 -18.671 -14.403   1.231
   18    HG   SER   4           HG       SER   4 -18.358 -11.838   2.385
   19    H    ASP   5           H        ASP   5 -19.501 -11.164   1.030
   20    HA   ASP   5           HA       ASP   5 -20.289  -9.134  -0.705
   21   1HB   ASP   5          1HB       ASP   5 -20.404  -7.867   1.454
   22   2HB   ASP   5          2HB       ASP   5 -21.163  -9.452   1.540
   23    HA   PRO   6           HA       PRO   6 -16.544  -7.225  -1.751
   24   1HB   PRO   6          1HB       PRO   6 -17.213  -4.606  -2.192
   25   2HB   PRO   6          2HB       PRO   6 -17.815  -5.960  -3.195
   26   1HG   PRO   6          1HG       PRO   6 -19.183  -4.581  -0.880
   27   2HG   PRO   6          2HG       PRO   6 -19.874  -4.977  -2.485
   28   1HD   PRO   6          1HD       PRO   6 -20.287  -6.551  -0.312
   29   2HD   PRO   6          2HD       PRO   6 -20.098  -7.238  -1.947
   30    H    LEU   7           H        LEU   7 -15.066  -5.392  -1.307
   31    HA   LEU   7           HA       LEU   7 -13.723  -4.092  -0.028
   32   1HB   LEU   7          2HB       LEU   7 -15.394  -4.634   2.441
   33   2HB   LEU   7          1HB       LEU   7 -14.054  -3.523   2.303
   34    HG   LEU   7           HG       LEU   7 -16.646  -3.222   0.727
   35   1HD1  LEU   7          1HD1      LEU   7 -17.032  -2.968   3.140
   36   2HD1  LEU   7          2HD1      LEU   7 -15.733  -1.766   3.245
   37   3HD1  LEU   7          3HD1      LEU   7 -17.214  -1.434   2.301
   38   1HD2  LEU   7          1HD2      LEU   7 -14.329  -1.283   1.168
   39   2HD2  LEU   7          2HD2      LEU   7 -14.717  -2.126  -0.344
   40   3HD2  LEU   7          3HD2      LEU   7 -15.847  -0.939   0.288
   41    H    CYS   8           H        CYS   8 -14.576  -7.366   0.620
   42    HA   CYS   8           HA       CYS   8 -11.649  -7.759   0.841
   43   1HB   CYS   8          1HB       CYS   8 -12.715  -8.360   3.034
   44   2HB   CYS   8          2HB       CYS   8 -13.647  -9.586   2.184
   45    H    ALA   9           H        ALA   9 -14.422  -8.155  -0.984
   46    HA   ALA   9           HA       ALA   9 -14.135 -10.760  -1.913
   47   1HB   ALA   9          1HB       ALA   9 -15.525 -10.090  -3.836
   48   2HB   ALA   9          3HB       ALA   9 -16.153  -9.423  -2.326
   49   3HB   ALA   9          2HB       ALA   9 -15.251  -8.378  -3.458
   50    H    TRP  10           H        TRP  10 -12.602  -7.772  -3.302
   51    HA   TRP  10           HA       TRP  10 -11.312  -9.169  -5.364
   52   1HB   TRP  10          1HB       TRP  10 -10.331  -7.206  -5.790
   53   2HB   TRP  10          2HB       TRP  10 -11.715  -6.623  -4.928
   54    HD1  TRP  10           HD1      TRP  10 -11.182  -5.768  -2.310
   55    HE1  TRP  10           HE1      TRP  10  -9.151  -4.558  -1.404
   56    HE3  TRP  10           HE3      TRP  10  -7.790  -7.200  -5.869
   57    HZ2  TRP  10           HZ2      TRP  10  -6.317  -4.349  -2.064
   58    HZ3  TRP  10           HZ3      TRP  10  -5.419  -6.488  -5.693
   59    HH2  TRP  10           HH2      TRP  10  -4.677  -5.066  -3.793
   60    H    ARG  11           H        ARG  11 -10.632  -9.196  -2.002
   61    HA   ARG  11           HA       ARG  11  -7.749  -9.817  -2.293
   62   1HB   ARG  11          1HB       ARG  11  -7.898  -8.923  -0.248
   63   2HB   ARG  11          2HB       ARG  11  -9.542  -9.450   0.057
   64   1HG   ARG  11          1HG       ARG  11  -8.904 -11.571   0.805
   65   2HG   ARG  11          2HG       ARG  11  -7.346 -11.523  -0.034
   66   1HD   ARG  11          1HD       ARG  11  -6.433  -9.938   1.538
   67   2HD   ARG  11          2HD       ARG  11  -8.016  -9.691   2.283
   68    HE   ARG  11           HE       ARG  11  -7.469 -11.304   3.712
   69   1HH1  ARG  11          1HH1      ARG  11  -6.739 -13.302   4.550
   70   2HH1  ARG  11          2HH1      ARG  11  -5.615 -14.237   3.587
   71   1HH2  ARG  11          1HH2      ARG  11  -5.634 -12.224   0.746
   72   2HH2  ARG  11          2HH2      ARG  11  -5.141 -13.733   1.482
   73    H    CYS  12           H        CYS  12 -10.726 -11.425  -1.456
   74    HA   CYS  12           HA       CYS  12 -11.486 -13.471  -1.317
   75   1HB   CYS  12          1HB       CYS  12 -11.149 -13.246  -3.847
   76   2HB   CYS  12          2HB       CYS  12  -9.704 -14.215  -3.654

  No H/Q in entry =          76
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1 -18.452 -14.976   4.739
    2    H2   GLY   1           H2       GLY   1 -18.589 -15.897   3.375
    3    H3   GLY   1           H3       GLY   1 -18.390 -16.624   4.849
    4   1HA   GLY   1          2HA       GLY   1 -16.358 -16.686   3.591
    5   2HA   GLY   1          1HA       GLY   1 -16.224 -15.770   5.105
    6    H    CYS   2           H        CYS   2 -14.672 -14.273   4.487
    7    HA   CYS   2           HA       CYS   2 -15.391 -11.849   3.607
    8   1HB   CYS   2          1HB       CYS   2 -13.014 -13.196   4.308
    9   2HB   CYS   2          2HB       CYS   2 -12.634 -12.399   2.796
   10    H    CYS   3           H        CYS   3 -14.302 -14.427   1.366
   11    HA   CYS   3           HA       CYS   3 -14.006 -12.679  -0.850
   12   1HB   CYS   3          1HB       CYS   3 -13.113 -15.083  -0.395
   13   2HB   CYS   3          2HB       CYS   3 -14.549 -15.554  -1.324
   14    H    SER   4           H        SER   4 -16.984 -13.361   0.609
   15    HA   SER   4           HA       SER   4 -18.392 -13.189  -2.000
   16   1HB   SER   4          1HB       SER   4 -20.428 -13.580  -0.648
   17   2HB   SER   4          2HB       SER   4 -19.333 -14.912  -0.931
   18    HG   SER   4           HG       SER   4 -19.251 -13.392   1.482
   19    H    ASP   5           H        ASP   5 -17.334 -10.873   0.514
   20    HA   ASP   5           HA       ASP   5 -19.505  -9.112  -0.328
   21   1HB   ASP   5          1HB       ASP   5 -18.931  -7.919   1.654
   22   2HB   ASP   5          2HB       ASP   5 -19.483  -9.539   2.027
   23    HA   PRO   6           HA       PRO   6 -16.444  -6.958  -2.593
   24   1HB   PRO   6          1HB       PRO   6 -17.604  -4.496  -2.962
   25   2HB   PRO   6          2HB       PRO   6 -18.252  -5.992  -3.705
   26   1HG   PRO   6          2HG       PRO   6 -19.140  -4.648  -1.131
   27   2HG   PRO   6          1HG       PRO   6 -20.156  -5.201  -2.505
   28   1HD   PRO   6          1HD       PRO   6 -19.791  -6.726  -0.279
   29   2HD   PRO   6          2HD       PRO   6 -19.883  -7.475  -1.902
   30    H    LEU   7           H        LEU   7 -17.072  -6.166   0.639
   31    HA   LEU   7           HA       LEU   7 -15.258  -3.884   0.869
   32   1HB   LEU   7          1HB       LEU   7 -16.115  -5.756   3.084
   33   2HB   LEU   7          2HB       LEU   7 -15.539  -4.108   3.229
   34    HG   LEU   7           HG       LEU   7 -18.237  -4.993   2.105
   35   1HD1  LEU   7          1HD1      LEU   7 -18.012  -5.268   4.544
   36   2HD1  LEU   7          2HD1      LEU   7 -17.525  -3.563   4.700
   37   3HD1  LEU   7          3HD1      LEU   7 -19.157  -3.988   4.136
   38   1HD2  LEU   7          1HD2      LEU   7 -17.128  -2.190   2.551
   39   2HD2  LEU   7          2HD2      LEU   7 -17.528  -2.938   0.986
   40   3HD2  LEU   7          3HD2      LEU   7 -18.814  -2.578   2.144
   41    H    CYS   8           H        CYS   8 -15.028  -7.369   0.674
   42    HA   CYS   8           HA       CYS   8 -12.187  -7.277   1.542
   43   1HB   CYS   8          1HB       CYS   8 -13.869  -8.081   3.229
   44   2HB   CYS   8          2HB       CYS   8 -14.238  -9.414   2.140
   45    H    ALA   9           H        ALA   9 -14.473  -8.675  -0.488
   46    HA   ALA   9           HA       ALA   9 -13.153 -10.953  -1.290
   47   1HB   ALA   9          1HB       ALA   9 -15.562 -10.618  -1.638
   48   2HB   ALA   9          3HB       ALA   9 -15.232  -9.382  -2.877
   49   3HB   ALA   9          2HB       ALA   9 -14.793 -11.075  -3.164
   50    H    TRP  10           H        TRP  10 -12.237  -7.863  -2.389
   51    HA   TRP  10           HA       TRP  10 -11.749  -8.172  -5.055
   52   1HB   TRP  10          1HB       TRP  10 -10.638  -6.170  -4.870
   53   2HB   TRP  10          2HB       TRP  10 -11.702  -6.134  -3.488
   54    HD1  TRP  10           HD1      TRP  10 -10.317  -7.102  -1.099
   55    HE1  TRP  10           HE1      TRP  10  -7.994  -6.430  -0.290
   56    HE3  TRP  10           HE3      TRP  10  -8.440  -5.203  -5.482
   57    HZ2  TRP  10           HZ2      TRP  10  -5.646  -5.213  -1.369
   58    HZ3  TRP  10           HZ3      TRP  10  -6.167  -4.249  -5.549
   59    HH2  TRP  10           HH2      TRP  10  -4.749  -4.231  -3.500
   60    H    ARG  11           H        ARG  11 -10.100  -9.879  -2.689
   61    HA   ARG  11           HA       ARG  11  -8.417 -11.260  -4.569
   62   1HB   ARG  11          2HB       ARG  11  -6.242 -10.807  -3.512
   63   2HB   ARG  11          1HB       ARG  11  -6.940  -9.351  -4.181
   64   1HG   ARG  11          1HG       ARG  11  -6.664  -8.316  -2.224
   65   2HG   ARG  11          2HG       ARG  11  -7.852  -9.385  -1.494
   66   1HD   ARG  11          1HD       ARG  11  -5.769 -11.019  -1.235
   67   2HD   ARG  11          2HD       ARG  11  -4.841  -9.521  -1.435
   68    HE   ARG  11           HE       ARG  11  -6.785  -8.887   0.428
   69   1HH1  ARG  11          1HH1      ARG  11  -7.147  -9.630   2.499
   70   2HH1  ARG  11          2HH1      ARG  11  -5.963 -10.553   3.363
   71   1HH2  ARG  11          1HH2      ARG  11  -3.899 -10.953   0.447
   72   2HH2  ARG  11          2HH2      ARG  11  -4.005 -11.234   2.166
   73    H    CYS  12           H        CYS  12 -10.608 -11.773  -2.813
   74    HA   CYS  12           HA       CYS  12 -11.528 -12.619  -1.008
   75   1HB   CYS  12          1HB       CYS  12  -9.231 -14.596  -1.095
   76   2HB   CYS  12          2HB       CYS  12 -10.683 -14.748  -0.123

  No H/Q in entry =          76
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1 -18.465 -12.790   4.715
    2    H2   GLY   1           H2       GLY   1 -19.299 -13.799   3.735
    3    H3   GLY   1           H3       GLY   1 -19.077 -14.205   5.317
    4   1HA   GLY   1          2HA       GLY   1 -17.628 -15.452   3.805
    5   2HA   GLY   1          1HA       GLY   1 -16.776 -14.512   5.043
    6    H    CYS   2           H        CYS   2 -14.973 -13.908   4.108
    7    HA   CYS   2           HA       CYS   2 -15.181 -11.411   2.997
    8   1HB   CYS   2          1HB       CYS   2 -13.162 -13.076   4.152
    9   2HB   CYS   2          2HB       CYS   2 -12.484 -12.404   2.687
   10    H    CYS   3           H        CYS   3 -14.521 -14.376   1.115
   11    HA   CYS   3           HA       CYS   3 -13.570 -12.956  -1.222
   12   1HB   CYS   3          1HB       CYS   3 -13.200 -15.358  -0.803
   13   2HB   CYS   3          2HB       CYS   3 -14.929 -15.603  -0.995
   14    H    SER   4           H        SER   4 -16.751 -13.770   0.094
   15    HA   SER   4           HA       SER   4 -18.059 -13.124  -2.452
   16   1HB   SER   4          1HB       SER   4 -20.010 -14.149  -1.329
   17   2HB   SER   4          2HB       SER   4 -18.644 -15.194  -1.700
   18    HG   SER   4           HG       SER   4 -18.609 -14.061   0.844
   19    H    ASP   5           H        ASP   5 -17.626 -11.325   0.642
   20    HA   ASP   5           HA       ASP   5 -19.813  -9.626  -0.226
   21   1HB   ASP   5          1HB       ASP   5 -19.767  -8.921   2.130
   22   2HB   ASP   5          2HB       ASP   5 -20.497 -10.476   1.775
   23    HA   PRO   6           HA       PRO   6 -17.020  -7.013  -1.585
   24   1HB   PRO   6          1HB       PRO   6 -18.024  -4.467  -1.310
   25   2HB   PRO   6          2HB       PRO   6 -18.801  -5.721  -2.319
   26   1HG   PRO   6          2HG       PRO   6 -19.426  -5.009   0.571
   27   2HG   PRO   6          1HG       PRO   6 -20.555  -5.105  -0.815
   28   1HD   PRO   6          1HD       PRO   6 -20.260  -7.205   0.852
   29   2HD   PRO   6          2HD       PRO   6 -20.344  -7.494  -0.916
   30    H    LEU   7           H        LEU   7 -15.510  -5.435  -1.382
   31    HA   LEU   7           HA       LEU   7 -14.194  -3.707  -0.585
   32   1HB   LEU   7          1HB       LEU   7 -14.963  -4.479   2.260
   33   2HB   LEU   7          2HB       LEU   7 -13.952  -3.141   1.777
   34    HG   LEU   7           HG       LEU   7 -16.820  -3.278   0.767
   35   1HD1  LEU   7          1HD1      LEU   7 -15.935  -2.176   3.452
   36   2HD1  LEU   7          2HD1      LEU   7 -17.531  -1.957   2.700
   37   3HD1  LEU   7          3HD1      LEU   7 -16.999  -3.565   3.160
   38   1HD2  LEU   7          1HD2      LEU   7 -15.283  -1.648  -0.267
   39   2HD2  LEU   7          2HD2      LEU   7 -16.565  -0.851   0.647
   40   3HD2  LEU   7          3HD2      LEU   7 -14.930  -0.962   1.331
   41    H    CYS   8           H        CYS   8 -14.625  -6.704   0.991
   42    HA   CYS   8           HA       CYS   8 -11.731  -7.327   1.214
   43   1HB   CYS   8          1HB       CYS   8 -13.437  -7.789   3.055
   44   2HB   CYS   8          2HB       CYS   8 -14.034  -9.096   2.011
   45    H    ALA   9           H        ALA   9 -14.471  -8.050  -0.587
   46    HA   ALA   9           HA       ALA   9 -14.131 -10.518  -1.591
   47   1HB   ALA   9          1HB       ALA   9 -15.472  -9.849  -3.589
   48   2HB   ALA   9          3HB       ALA   9 -16.153  -9.219  -2.094
   49   3HB   ALA   9          2HB       ALA   9 -15.222  -8.147  -3.171
   50    H    TRP  10           H        TRP  10 -12.516  -7.673  -3.105
   51    HA   TRP  10           HA       TRP  10 -11.584  -9.012  -5.306
   52   1HB   TRP  10          1HB       TRP  10 -10.345  -7.167  -5.680
   53   2HB   TRP  10          2HB       TRP  10 -11.361  -6.493  -4.441
   54    HD1  TRP  10           HD1      TRP  10 -10.197  -6.146  -1.971
   55    HE1  TRP  10           HE1      TRP  10  -7.752  -5.846  -1.272
   56    HE3  TRP  10           HE3      TRP  10  -7.921  -7.875  -6.205
   57    HZ2  TRP  10           HZ2      TRP  10  -5.131  -6.261  -2.418
   58    HZ3  TRP  10           HZ3      TRP  10  -5.457  -7.893  -6.396
   59    HH2  TRP  10           HH2      TRP  10  -4.038  -7.107  -4.496
   60    H    ARG  11           H        ARG  11 -10.506  -9.339  -2.061
   61    HA   ARG  11           HA       ARG  11  -7.873 -10.352  -2.848
   62   1HB   ARG  11          1HB       ARG  11  -8.065  -8.841  -0.963
   63   2HB   ARG  11          2HB       ARG  11  -8.979 -10.041  -0.048
   64   1HG   ARG  11          1HG       ARG  11  -7.102 -11.486   0.141
   65   2HG   ARG  11          2HG       ARG  11  -6.282 -10.754  -1.249
   66   1HD   ARG  11          1HD       ARG  11  -5.893  -8.683  -0.008
   67   2HD   ARG  11          2HD       ARG  11  -6.696  -9.355   1.412
   68    HE   ARG  11           HE       ARG  11  -4.070 -10.063   0.281
   69   1HH1  ARG  11          1HH1      ARG  11  -2.687 -11.487   1.442
   70   2HH1  ARG  11          2HH1      ARG  11  -3.339 -12.371   2.802
   71   1HH2  ARG  11          1HH2      ARG  11  -6.529 -10.928   2.761
   72   2HH2  ARG  11          2HH2      ARG  11  -5.403 -12.000   3.570
   73    H    CYS  12           H        CYS  12 -10.878 -11.717  -1.728
   74    HA   CYS  12           HA       CYS  12 -11.458 -13.833  -1.035
   75   1HB   CYS  12          1HB       CYS  12 -10.102 -14.290  -3.702
   76   2HB   CYS  12          2HB       CYS  12 -10.972 -15.568  -2.861

  No H/Q in entry =          76
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1 -17.445 -14.407   5.556
    2    H2   GLY   1           H2       GLY   1 -18.425 -14.880   4.316
    3    H3   GLY   1           H3       GLY   1 -17.897 -15.985   5.420
    4   1HA   GLY   1          2HA       GLY   1 -16.703 -16.194   3.338
    5   2HA   GLY   1          1HA       GLY   1 -15.672 -15.772   4.709
    6    H    CYS   2           H        CYS   2 -14.178 -14.501   3.921
    7    HA   CYS   2           HA       CYS   2 -14.867 -11.798   3.106
    8   1HB   CYS   2          1HB       CYS   2 -12.485 -13.243   4.030
    9   2HB   CYS   2          2HB       CYS   2 -12.117 -12.170   2.698
   10    H    CYS   3           H        CYS   3 -14.438 -14.692   1.260
   11    HA   CYS   3           HA       CYS   3 -13.658 -13.505  -1.265
   12   1HB   CYS   3          1HB       CYS   3 -14.971 -16.051  -0.380
   13   2HB   CYS   3          2HB       CYS   3 -14.981 -15.606  -2.064
   14    H    SER   4           H        SER   4 -16.666 -13.559   0.607
   15    HA   SER   4           HA       SER   4 -18.273 -13.484  -1.752
   16   1HB   SER   4          2HB       SER   4 -20.196 -13.356  -0.296
   17   2HB   SER   4          1HB       SER   4 -19.095 -14.644   0.162
   18    HG   SER   4           HG       SER   4 -18.291 -13.176   1.836
   19    H    ASP   5           H        ASP   5 -17.864 -10.922   0.851
   20    HA   ASP   5           HA       ASP   5 -19.610  -9.294  -0.739
   21   1HB   ASP   5          1HB       ASP   5 -19.948  -8.106   1.264
   22   2HB   ASP   5          2HB       ASP   5 -20.035  -9.821   1.615
   23    HA   PRO   6           HA       PRO   6 -16.318  -6.630  -2.124
   24   1HB   PRO   6          1HB       PRO   6 -17.723  -4.373  -2.806
   25   2HB   PRO   6          2HB       PRO   6 -17.723  -5.870  -3.782
   26   1HG   PRO   6          2HG       PRO   6 -19.764  -4.967  -1.739
   27   2HG   PRO   6          1HG       PRO   6 -20.059  -5.619  -3.386
   28   1HD   PRO   6          1HD       PRO   6 -20.220  -7.153  -1.137
   29   2HD   PRO   6          2HD       PRO   6 -19.603  -7.817  -2.683
   30    H    LEU   7           H        LEU   7 -15.072  -5.327  -1.144
   31    HA   LEU   7           HA       LEU   7 -14.088  -3.882   0.317
   32   1HB   LEU   7          1HB       LEU   7 -16.484  -4.141   2.159
   33   2HB   LEU   7          2HB       LEU   7 -14.980  -3.392   2.616
   34    HG   LEU   7           HG       LEU   7 -16.526  -2.437   0.188
   35   1HD1  LEU   7          1HD1      LEU   7 -16.686  -1.431   3.047
   36   2HD1  LEU   7          2HD1      LEU   7 -17.380  -0.609   1.623
   37   3HD1  LEU   7          3HD1      LEU   7 -17.965  -2.204   2.106
   38   1HD2  LEU   7          1HD2      LEU   7 -14.339  -1.154   1.897
   39   2HD2  LEU   7          2HD2      LEU   7 -14.177  -1.707   0.220
   40   3HD2  LEU   7          3HD2      LEU   7 -15.220  -0.339   0.587
   41    H    CYS   8           H        CYS   8 -14.960  -7.115   0.382
   42    HA   CYS   8           HA       CYS   8 -12.316  -7.428   1.563
   43   1HB   CYS   8          1HB       CYS   8 -14.147  -8.126   3.273
   44   2HB   CYS   8          2HB       CYS   8 -14.277  -9.568   2.249
   45    H    ALA   9           H        ALA   9 -14.733  -8.509  -0.501
   46    HA   ALA   9           HA       ALA   9 -13.696 -10.888  -1.510
   47   1HB   ALA   9          1HB       ALA   9 -15.330 -10.588  -3.299
   48   2HB   ALA   9          3HB       ALA   9 -15.997 -10.122  -1.748
   49   3HB   ALA   9          2HB       ALA   9 -15.480  -8.857  -2.896
   50    H    TRP  10           H        TRP  10 -12.272  -7.778  -2.199
   51    HA   TRP  10           HA       TRP  10 -11.574  -7.820  -4.790
   52   1HB   TRP  10          1HB       TRP  10  -9.984  -6.291  -4.252
   53   2HB   TRP  10          2HB       TRP  10 -11.055  -6.142  -2.906
   54    HD1  TRP  10           HD1      TRP  10 -10.146  -7.693  -0.631
   55    HE1  TRP  10           HE1      TRP  10  -7.778  -7.786   0.331
   56    HE3  TRP  10           HE3      TRP  10  -7.514  -6.111  -4.740
   57    HZ2  TRP  10           HZ2      TRP  10  -5.088  -7.319  -0.568
   58    HZ3  TRP  10           HZ3      TRP  10  -5.054  -5.904  -4.637
   59    HH2  TRP  10           HH2      TRP  10  -3.825  -6.491  -2.542
   60    H    ARG  11           H        ARG  11 -10.158  -9.730  -2.317
   61    HA   ARG  11           HA       ARG  11  -9.193 -11.737  -4.137
   62   1HB   ARG  11          1HB       ARG  11  -7.361  -9.675  -3.777
   63   2HB   ARG  11          2HB       ARG  11  -6.853 -10.772  -2.511
   64   1HG   ARG  11          1HG       ARG  11  -7.282 -11.475  -5.455
   65   2HG   ARG  11          2HG       ARG  11  -5.728 -11.127  -4.718
   66   1HD   ARG  11          1HD       ARG  11  -5.865 -13.128  -3.308
   67   2HD   ARG  11          2HD       ARG  11  -7.507 -13.450  -3.876
   68    HE   ARG  11           HE       ARG  11  -6.741 -14.408  -5.731
   69   1HH1  ARG  11          1HH1      ARG  11  -5.241 -15.030  -7.392
   70   2HH1  ARG  11          2HH1      ARG  11  -3.572 -14.590  -7.220
   71   1HH2  ARG  11          1HH2      ARG  11  -3.999 -12.656  -4.295
   72   2HH2  ARG  11          2HH2      ARG  11  -2.874 -13.144  -5.526
   73    H    CYS  12           H        CYS  12 -11.060 -11.493  -1.974
   74    HA   CYS  12           HA       CYS  12 -11.853 -12.793  -0.361
   75   1HB   CYS  12          1HB       CYS  12 -10.805 -14.493  -1.957
   76   2HB   CYS  12          2HB       CYS  12  -9.503 -14.629  -0.785

  No H/Q in entry =          76
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1 -17.967 -15.887   4.340
    2    H2   GLY   1           H2       GLY   1 -17.205 -17.224   4.945
    3    H3   GLY   1           H3       GLY   1 -17.151 -15.781   5.753
    4   1HA   GLY   1          2HA       GLY   1 -15.913 -16.317   3.158
    5   2HA   GLY   1          1HA       GLY   1 -15.069 -16.186   4.719
    6    H    CYS   2           H        CYS   2 -14.352 -14.531   2.630
    7    HA   CYS   2           HA       CYS   2 -15.860 -11.986   2.910
    8   1HB   CYS   2          1HB       CYS   2 -13.511 -12.379   4.252
    9   2HB   CYS   2          2HB       CYS   2 -12.933 -11.638   2.764
   10    H    CYS   3           H        CYS   3 -14.308 -14.316   0.816
   11    HA   CYS   3           HA       CYS   3 -14.385 -12.469  -1.448
   12   1HB   CYS   3          1HB       CYS   3 -13.789 -15.329  -1.139
   13   2HB   CYS   3          2HB       CYS   3 -14.743 -14.913  -2.570
   14    H    SER   4           H        SER   4 -16.830 -13.728   0.542
   15    HA   SER   4           HA       SER   4 -18.942 -13.975  -1.397
   16   1HB   SER   4          1HB       SER   4 -20.238 -13.979   0.720
   17   2HB   SER   4          2HB       SER   4 -19.104 -15.295   0.448
   18    HG   SER   4           HG       SER   4 -18.604 -13.035   2.196
   19    H    ASP   5           H        ASP   5 -17.781 -11.353   0.781
   20    HA   ASP   5           HA       ASP   5 -19.952  -9.595  -0.082
   21   1HB   ASP   5          1HB       ASP   5 -19.409  -8.558   2.184
   22   2HB   ASP   5          2HB       ASP   5 -20.371 -10.024   2.092
   23    HA   PRO   6           HA       PRO   6 -16.974  -7.017  -1.801
   24   1HB   PRO   6          1HB       PRO   6 -17.958  -4.485  -1.620
   25   2HB   PRO   6          2HB       PRO   6 -18.816  -5.771  -2.521
   26   1HG   PRO   6          2HG       PRO   6 -19.272  -4.897   0.357
   27   2HG   PRO   6          1HG       PRO   6 -20.502  -5.016  -0.946
   28   1HD   PRO   6          1HD       PRO   6 -20.108  -7.040   0.812
   29   2HD   PRO   6          2HD       PRO   6 -20.438  -7.373  -0.915
   30    H    LEU   7           H        LEU   7 -15.600  -5.072  -1.446
   31    HA   LEU   7           HA       LEU   7 -14.212  -3.658  -0.385
   32   1HB   LEU   7          2HB       LEU   7 -15.651  -4.243   2.226
   33   2HB   LEU   7          1HB       LEU   7 -14.547  -2.927   1.904
   34    HG   LEU   7           HG       LEU   7 -17.136  -3.235   0.315
   35   1HD1  LEU   7          1HD1      LEU   7 -16.790  -1.728   2.920
   36   2HD1  LEU   7          2HD1      LEU   7 -18.199  -1.643   1.827
   37   3HD1  LEU   7          3HD1      LEU   7 -17.803  -3.158   2.620
   38   1HD2  LEU   7          1HD2      LEU   7 -15.415  -1.741  -0.627
   39   2HD2  LEU   7          2HD2      LEU   7 -16.845  -0.858  -0.104
   40   3HD2  LEU   7          3HD2      LEU   7 -15.369  -0.831   0.892
   41    H    CYS   8           H        CYS   8 -14.548  -6.895   0.430
   42    HA   CYS   8           HA       CYS   8 -11.642  -7.034   0.954
   43   1HB   CYS   8          1HB       CYS   8 -12.118  -9.112   2.306
   44   2HB   CYS   8          2HB       CYS   8 -12.609  -7.591   3.054
   45    H    ALA   9           H        ALA   9 -14.309  -8.268  -0.682
   46    HA   ALA   9           HA       ALA   9 -13.472 -10.705  -1.586
   47   1HB   ALA   9          1HB       ALA   9 -14.919 -10.365  -3.628
   48   2HB   ALA   9          3HB       ALA   9 -15.712 -10.045  -2.088
   49   3HB   ALA   9          2HB       ALA   9 -15.159  -8.682  -3.103
   50    H    TRP  10           H        TRP  10 -12.303  -7.627  -2.968
   51    HA   TRP  10           HA       TRP  10 -11.220  -8.383  -5.278
   52   1HB   TRP  10          1HB       TRP  10  -9.882  -6.527  -5.110
   53   2HB   TRP  10          2HB       TRP  10 -11.215  -6.131  -4.090
   54    HD1  TRP  10           HD1      TRP  10 -10.652  -6.629  -1.329
   55    HE1  TRP  10           HE1      TRP  10  -8.604  -5.789  -0.031
   56    HE3  TRP  10           HE3      TRP  10  -7.404  -6.052  -5.224
   57    HZ2  TRP  10           HZ2      TRP  10  -5.937  -4.903  -0.613
   58    HZ3  TRP  10           HZ3      TRP  10  -5.152  -5.059  -4.838
   59    HH2  TRP  10           HH2      TRP  10  -4.418  -4.467  -2.542
   60    H    ARG  11           H        ARG  11 -10.045  -9.486  -2.253
   61    HA   ARG  11           HA       ARG  11  -8.686 -11.654  -3.540
   62   1HB   ARG  11          1HB       ARG  11  -6.979  -9.784  -3.733
   63   2HB   ARG  11          2HB       ARG  11  -6.835  -9.801  -1.986
   64   1HG   ARG  11          1HG       ARG  11  -5.942 -12.082  -2.048
   65   2HG   ARG  11          2HG       ARG  11  -6.428 -12.280  -3.747
   66   1HD   ARG  11          1HD       ARG  11  -4.874 -10.658  -4.510
   67   2HD   ARG  11          2HD       ARG  11  -4.528 -10.078  -2.880
   68    HE   ARG  11           HE       ARG  11  -3.375 -12.326  -4.276
   69   1HH1  ARG  11          1HH1      ARG  11  -1.365 -13.117  -3.310
   70   2HH1  ARG  11          2HH1      ARG  11  -0.959 -12.561  -1.712
   71   1HH2  ARG  11          1HH2      ARG  11  -4.084 -11.118  -0.992
   72   2HH2  ARG  11          2HH2      ARG  11  -2.511 -11.409  -0.376
   73    H    CYS  12           H        CYS  12 -10.787 -11.644  -2.063
   74    HA   CYS  12           HA       CYS  12 -11.939 -12.234  -0.243
   75   1HB   CYS  12          1HB       CYS  12  -9.762 -14.289   0.107
   76   2HB   CYS  12          2HB       CYS  12 -11.466 -14.435   0.475

  No H/Q in entry =          76
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1 -17.866 -15.217   5.277
    2    H2   GLY   1           H2       GLY   1 -17.075 -16.464   6.025
    3    H3   GLY   1           H3       GLY   1 -16.771 -14.902   6.467
    4   1HA   GLY   1          2HA       GLY   1 -16.147 -16.085   3.861
    5   2HA   GLY   1          1HA       GLY   1 -14.980 -15.720   5.154
    6    H    CYS   2           H        CYS   2 -14.250 -14.516   2.940
    7    HA   CYS   2           HA       CYS   2 -15.551 -11.890   2.724
    8   1HB   CYS   2          1HB       CYS   2 -13.177 -12.363   4.262
    9   2HB   CYS   2          2HB       CYS   2 -12.709 -11.502   2.807
   10    H    CYS   3           H        CYS   3 -14.694 -14.520   0.998
   11    HA   CYS   3           HA       CYS   3 -13.777 -13.180  -1.473
   12   1HB   CYS   3          1HB       CYS   3 -15.349 -15.708  -1.085
   13   2HB   CYS   3          2HB       CYS   3 -14.554 -15.183  -2.552
   14    H    SER   4           H        SER   4 -16.654 -13.699   0.386
   15    HA   SER   4           HA       SER   4 -18.508 -13.725  -1.749
   16   1HB   SER   4          1HB       SER   4 -20.049 -13.882   0.188
   17   2HB   SER   4          2HB       SER   4 -18.827 -15.135   0.021
   18    HG   SER   4           HG       SER   4 -18.766 -12.972   1.910
   19    H    ASP   5           H        ASP   5 -17.772 -11.199   0.742
   20    HA   ASP   5           HA       ASP   5 -19.829  -9.479  -0.434
   21   1HB   ASP   5          1HB       ASP   5 -19.735  -8.520   1.933
   22   2HB   ASP   5          2HB       ASP   5 -20.622 -10.004   1.605
   23    HA   PRO   6           HA       PRO   6 -16.930  -6.735  -1.749
   24   1HB   PRO   6          1HB       PRO   6 -18.012  -4.206  -1.294
   25   2HB   PRO   6          2HB       PRO   6 -18.570  -5.367  -2.536
   26   1HG   PRO   6          2HG       PRO   6 -19.711  -4.884   0.219
   27   2HG   PRO   6          1HG       PRO   6 -20.574  -5.052  -1.339
   28   1HD   PRO   6          1HD       PRO   6 -20.342  -7.116   0.381
   29   2HD   PRO   6          2HD       PRO   6 -20.228  -7.383  -1.388
   30    H    LEU   7           H        LEU   7 -15.544  -4.930  -1.360
   31    HA   LEU   7           HA       LEU   7 -13.947  -3.764  -0.419
   32   1HB   LEU   7          1HB       LEU   7 -15.822  -3.747   1.810
   33   2HB   LEU   7          2HB       LEU   7 -14.184  -3.914   2.424
   34    HG   LEU   7           HG       LEU   7 -14.989  -1.888   0.335
   35   1HD1  LEU   7          1HD1      LEU   7 -16.318  -1.514   2.374
   36   2HD1  LEU   7          2HD1      LEU   7 -14.818  -1.509   3.341
   37   3HD1  LEU   7          3HD1      LEU   7 -15.130  -0.218   2.143
   38   1HD2  LEU   7          1HD2      LEU   7 -12.521  -2.338   0.527
   39   2HD2  LEU   7          2HD2      LEU   7 -12.929  -0.702   1.031
   40   3HD2  LEU   7          3HD2      LEU   7 -12.600  -1.947   2.250
   41    H    CYS   8           H        CYS   8 -14.618  -6.952   0.386
   42    HA   CYS   8           HA       CYS   8 -11.705  -7.417   0.752
   43   1HB   CYS   8          1HB       CYS   8 -12.166  -9.217   2.308
   44   2HB   CYS   8          2HB       CYS   8 -12.654  -7.633   2.920
   45    H    ALA   9           H        ALA   9 -14.574  -8.386  -0.704
   46    HA   ALA   9           HA       ALA   9 -14.029 -10.853  -1.824
   47   1HB   ALA   9          1HB       ALA   9 -16.147  -9.849  -2.228
   48   2HB   ALA   9          3HB       ALA   9 -15.384 -10.092  -3.809
   49   3HB   ALA   9          2HB       ALA   9 -15.427  -8.471  -3.087
   50    H    TRP  10           H        TRP  10 -12.717  -7.707  -2.941
   51    HA   TRP  10           HA       TRP  10 -11.410  -8.412  -5.188
   52   1HB   TRP  10          1HB       TRP  10 -10.239  -6.428  -4.899
   53   2HB   TRP  10          2HB       TRP  10 -11.654  -6.168  -3.933
   54    HD1  TRP  10           HD1      TRP  10 -11.267  -6.618  -1.203
   55    HE1  TRP  10           HE1      TRP  10  -9.316  -5.841   0.261
   56    HE3  TRP  10           HE3      TRP  10  -7.805  -5.781  -4.876
   57    HZ2  TRP  10           HZ2      TRP  10  -6.622  -4.856  -0.134
   58    HZ3  TRP  10           HZ3      TRP  10  -5.627  -4.762  -4.303
   59    HH2  TRP  10           HH2      TRP  10  -5.007  -4.318  -1.947
   60    H    ARG  11           H        ARG  11 -10.583  -9.718  -2.132
   61    HA   ARG  11           HA       ARG  11  -8.425 -11.267  -3.297
   62   1HB   ARG  11          1HB       ARG  11  -7.497  -8.871  -2.531
   63   2HB   ARG  11          2HB       ARG  11  -7.628  -9.545  -0.913
   64   1HG   ARG  11          2HG       ARG  11  -5.394  -9.957  -1.632
   65   2HG   ARG  11          1HG       ARG  11  -6.198 -11.517  -1.776
   66   1HD   ARG  11          1HD       ARG  11  -6.609 -10.981  -4.243
   67   2HD   ARG  11          2HD       ARG  11  -5.609  -9.553  -4.042
   68    HE   ARG  11           HE       ARG  11  -4.808 -12.359  -4.157
   69   1HH1  ARG  11          1HH1      ARG  11  -2.637 -12.838  -4.474
   70   2HH1  ARG  11          2HH1      ARG  11  -1.407 -11.663  -4.162
   71   1HH2  ARG  11          1HH2      ARG  11  -3.684  -9.131  -3.079
   72   2HH2  ARG  11          2HH2      ARG  11  -2.009  -9.557  -3.333
   73    H    CYS  12           H        CYS  12 -10.977 -11.796  -2.083
   74    HA   CYS  12           HA       CYS  12 -12.033 -13.011  -0.506
   75   1HB   CYS  12          1HB       CYS  12  -9.463 -14.505  -0.958
   76   2HB   CYS  12          2HB       CYS  12 -10.623 -15.125   0.188

  No H/Q in entry =          76
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1 -18.251 -13.470   4.461
    2    H2   GLY   1           H2       GLY   1 -18.771 -14.783   3.603
    3    H3   GLY   1           H3       GLY   1 -18.436 -14.940   5.199
    4   1HA   GLY   1          2HA       GLY   1 -16.719 -15.842   3.687
    5   2HA   GLY   1          1HA       GLY   1 -16.159 -14.670   4.897
    6    H    CYS   2           H        CYS   2 -14.446 -13.779   3.712
    7    HA   CYS   2           HA       CYS   2 -15.369 -11.409   2.676
    8   1HB   CYS   2          1HB       CYS   2 -12.800 -12.555   3.421
    9   2HB   CYS   2          2HB       CYS   2 -12.617 -11.561   1.980
   10    H    CYS   3           H        CYS   3 -14.717 -14.203   0.689
   11    HA   CYS   3           HA       CYS   3 -14.176 -12.748  -1.749
   12   1HB   CYS   3          1HB       CYS   3 -15.492 -15.429  -1.437
   13   2HB   CYS   3          2HB       CYS   3 -14.705 -14.778  -2.871
   14    H    SER   4           H        SER   4 -17.031 -13.410   0.136
   15    HA   SER   4           HA       SER   4 -18.890 -12.851  -2.109
   16   1HB   SER   4          2HB       SER   4 -20.595 -13.890  -0.741
   17   2HB   SER   4          1HB       SER   4 -19.198 -14.949  -0.998
   18    HG   SER   4           HG       SER   4 -18.457 -14.055   1.130
   19    H    ASP   5           H        ASP   5 -18.711 -11.920   1.460
   20    HA   ASP   5           HA       ASP   5 -20.340  -9.648   1.002
   21   1HB   ASP   5          1HB       ASP   5 -19.874  -9.109   3.261
   22   2HB   ASP   5          2HB       ASP   5 -20.283 -10.799   3.134
   23    HA   PRO   6           HA       PRO   6 -17.628  -7.429  -1.222
   24   1HB   PRO   6          1HB       PRO   6 -18.405  -4.800  -0.973
   25   2HB   PRO   6          2HB       PRO   6 -19.460  -6.063  -1.643
   26   1HG   PRO   6          2HG       PRO   6 -19.353  -5.046   1.216
   27   2HG   PRO   6          1HG       PRO   6 -20.794  -5.196   0.164
   28   1HD   PRO   6          1HD       PRO   6 -20.154  -7.136   1.949
   29   2HD   PRO   6          2HD       PRO   6 -20.773  -7.563   0.322
   30    H    LEU   7           H        LEU   7 -16.163  -5.515  -1.457
   31    HA   LEU   7           HA       LEU   7 -14.534  -4.103  -0.975
   32   1HB   LEU   7          1HB       LEU   7 -16.454  -3.705   1.086
   33   2HB   LEU   7          2HB       LEU   7 -14.893  -3.647   1.887
   34    HG   LEU   7           HG       LEU   7 -15.502  -2.140  -0.686
   35   1HD1  LEU   7          1HD1      LEU   7 -15.893  -1.243   2.185
   36   2HD1  LEU   7          2HD1      LEU   7 -15.910  -0.137   0.788
   37   3HD1  LEU   7          3HD1      LEU   7 -17.137  -1.401   0.945
   38   1HD2  LEU   7          1HD2      LEU   7 -13.383  -1.756   1.490
   39   2HD2  LEU   7          2HD2      LEU   7 -13.101  -2.313  -0.170
   40   3HD2  LEU   7          3HD2      LEU   7 -13.645  -0.660   0.122
   41    H    CYS   8           H        CYS   8 -14.498  -7.120   0.160
   42    HA   CYS   8           HA       CYS   8 -11.556  -6.899   0.468
   43   1HB   CYS   8          1HB       CYS   8 -11.664  -8.783   2.086
   44   2HB   CYS   8          2HB       CYS   8 -12.302  -7.243   2.667
   45    H    ALA   9           H        ALA   9 -14.072  -8.160  -1.308
   46    HA   ALA   9           HA       ALA   9 -13.406 -10.806  -1.784
   47   1HB   ALA   9          1HB       ALA   9 -14.855 -10.588  -3.743
   48   2HB   ALA   9          3HB       ALA   9 -15.538  -9.677  -2.386
   49   3HB   ALA   9          2HB       ALA   9 -14.694  -8.825  -3.706
   50    H    TRP  10           H        TRP  10 -12.062  -7.916  -3.367
   51    HA   TRP  10           HA       TRP  10 -10.804  -9.060  -5.517
   52   1HB   TRP  10          1HB       TRP  10  -9.698  -7.037  -5.664
   53   2HB   TRP  10          2HB       TRP  10 -11.150  -6.604  -4.816
   54    HD1  TRP  10           HD1      TRP  10 -10.387  -7.166  -1.845
   55    HE1  TRP  10           HE1      TRP  10  -8.587  -5.877  -0.617
   56    HE3  TRP  10           HE3      TRP  10  -7.897  -5.216  -5.874
   57    HZ2  TRP  10           HZ2      TRP  10  -6.174  -4.421  -1.274
   58    HZ3  TRP  10           HZ3      TRP  10  -5.892  -3.806  -5.514
   59    HH2  TRP  10           HH2      TRP  10  -4.990  -3.447  -3.243
   60    H    ARG  11           H        ARG  11  -9.927  -9.643  -2.265
   61    HA   ARG  11           HA       ARG  11  -7.781 -11.391  -3.037
   62   1HB   ARG  11          1HB       ARG  11  -6.858  -8.851  -2.921
   63   2HB   ARG  11          2HB       ARG  11  -6.811  -9.155  -1.207
   64   1HG   ARG  11          1HG       ARG  11  -5.421 -10.723  -3.425
   65   2HG   ARG  11          2HG       ARG  11  -4.678  -9.595  -2.288
   66   1HD   ARG  11          1HD       ARG  11  -5.416 -11.209  -0.431
   67   2HD   ARG  11          2HD       ARG  11  -5.761 -12.382  -1.714
   68    HE   ARG  11           HE       ARG  11  -3.199 -11.344  -0.748
   69   1HH1  ARG  11          1HH1      ARG  11  -1.239 -11.973  -1.712
   70   2HH1  ARG  11          2HH1      ARG  11  -1.176 -13.271  -2.856
   71   1HH2  ARG  11          1HH2      ARG  11  -4.726 -13.458  -3.200
   72   2HH2  ARG  11          2HH2      ARG  11  -3.206 -14.125  -3.728
   73    H    CYS  12           H        CYS  12 -10.132 -12.116  -1.899
   74    HA   CYS  12           HA       CYS  12 -10.273 -11.871   0.932
   75   1HB   CYS  12          1HB       CYS  12 -11.912 -13.719   0.614
   76   2HB   CYS  12          2HB       CYS  12 -12.242 -12.251  -0.308

  No H/Q in entry =          76
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1 -17.369 -15.635   4.511
    2    H2   GLY   1           H2       GLY   1 -17.060 -16.608   3.224
    3    H3   GLY   1           H3       GLY   1 -16.722 -17.145   4.742
    4   1HA   GLY   1          2HA       GLY   1 -14.730 -16.516   3.593
    5   2HA   GLY   1          1HA       GLY   1 -15.039 -15.470   5.003
    6    H    CYS   2           H        CYS   2 -13.428 -14.194   3.445
    7    HA   CYS   2           HA       CYS   2 -14.684 -11.867   2.771
    8   1HB   CYS   2          1HB       CYS   2 -11.987 -13.095   2.301
    9   2HB   CYS   2          2HB       CYS   2 -12.407 -11.654   1.413
   10    H    CYS   3           H        CYS   3 -14.355 -14.645   0.575
   11    HA   CYS   3           HA       CYS   3 -14.408 -13.234  -1.866
   12   1HB   CYS   3          1HB       CYS   3 -15.057 -15.996  -0.959
   13   2HB   CYS   3          2HB       CYS   3 -15.873 -15.473  -2.414
   14    H    SER   4           H        SER   4 -17.122 -13.764   0.424
   15    HA   SER   4           HA       SER   4 -19.054 -12.943  -1.640
   16   1HB   SER   4          1HB       SER   4 -20.684 -13.398   0.174
   17   2HB   SER   4          2HB       SER   4 -19.872 -14.750  -0.583
   18    HG   SER   4           HG       SER   4 -19.525 -13.676   2.000
   19    H    ASP   5           H        ASP   5 -17.199 -11.130   0.802
   20    HA   ASP   5           HA       ASP   5 -19.321  -9.171   0.820
   21   1HB   ASP   5          1HB       ASP   5 -18.746  -8.648   2.814
   22   2HB   ASP   5          2HB       ASP   5 -18.662 -10.369   2.865
   23    HA   PRO   6           HA       PRO   6 -16.389  -7.086  -1.909
   24   1HB   PRO   6          1HB       PRO   6 -17.918  -4.869  -2.524
   25   2HB   PRO   6          2HB       PRO   6 -18.049  -6.461  -3.329
   26   1HG   PRO   6          1HG       PRO   6 -19.729  -5.383  -1.061
   27   2HG   PRO   6          2HG       PRO   6 -20.274  -6.226  -2.542
   28   1HD   PRO   6          1HD       PRO   6 -20.008  -7.476  -0.155
   29   2HD   PRO   6          2HD       PRO   6 -19.586  -8.319  -1.686
   30    H    LEU   7           H        LEU   7 -15.065  -5.513  -1.648
   31    HA   LEU   7           HA       LEU   7 -13.703  -3.879  -0.675
   32   1HB   LEU   7          1HB       LEU   7 -15.205  -4.520   1.906
   33   2HB   LEU   7          2HB       LEU   7 -13.649  -3.752   1.895
   34    HG   LEU   7           HG       LEU   7 -15.795  -2.571   0.147
   35   1HD1  LEU   7          1HD1      LEU   7 -15.575  -2.170   3.163
   36   2HD1  LEU   7          2HD1      LEU   7 -16.403  -1.034   2.076
   37   3HD1  LEU   7          3HD1      LEU   7 -16.996  -2.682   2.219
   38   1HD2  LEU   7          1HD2      LEU   7 -13.463  -1.716   0.027
   39   2HD2  LEU   7          2HD2      LEU   7 -14.566  -0.493   0.675
   40   3HD2  LEU   7          3HD2      LEU   7 -13.499  -1.379   1.773
   41    H    CYS   8           H        CYS   8 -14.722  -7.033   0.703
   42    HA   CYS   8           HA       CYS   8 -11.845  -7.730   0.893
   43   1HB   CYS   8          1HB       CYS   8 -13.473  -7.941   2.928
   44   2HB   CYS   8          2HB       CYS   8 -13.908  -9.460   2.129
   45    H    ALA   9           H        ALA   9 -14.677  -8.431  -0.766
   46    HA   ALA   9           HA       ALA   9 -14.222 -10.930  -1.816
   47   1HB   ALA   9          1HB       ALA   9 -15.509 -10.248  -3.833
   48   2HB   ALA   9          3HB       ALA   9 -16.273  -9.697  -2.330
   49   3HB   ALA   9          2HB       ALA   9 -15.357  -8.550  -3.346
   50    H    TRP  10           H        TRP  10 -12.895  -7.919  -3.317
   51    HA   TRP  10           HA       TRP  10 -11.367  -9.317  -5.203
   52   1HB   TRP  10          1HB       TRP  10 -10.669  -7.282  -5.808
   53   2HB   TRP  10          2HB       TRP  10 -11.943  -6.714  -4.766
   54    HD1  TRP  10           HD1      TRP  10 -11.114  -5.662  -2.345
   55    HE1  TRP  10           HE1      TRP  10  -8.884  -4.558  -1.678
   56    HE3  TRP  10           HE3      TRP  10  -8.137  -7.518  -6.079
   57    HZ2  TRP  10           HZ2      TRP  10  -6.177  -4.478  -2.675
   58    HZ3  TRP  10           HZ3      TRP  10  -5.743  -6.906  -6.201
   59    HH2  TRP  10           HH2      TRP  10  -4.756  -5.368  -4.512
   60    H    ARG  11           H        ARG  11 -10.902  -9.007  -1.825
   61    HA   ARG  11           HA       ARG  11  -7.981  -9.311  -1.872
   62   1HB   ARG  11          1HB       ARG  11  -9.532  -8.028  -0.082
   63   2HB   ARG  11          2HB       ARG  11  -9.656  -9.640   0.627
   64   1HG   ARG  11          1HG       ARG  11  -7.873  -8.451   1.713
   65   2HG   ARG  11          2HG       ARG  11  -7.161  -9.743   0.745
   66   1HD   ARG  11          1HD       ARG  11  -7.347  -7.374  -0.922
   67   2HD   ARG  11          2HD       ARG  11  -6.695  -6.871   0.625
   68    HE   ARG  11           HE       ARG  11  -5.506  -8.656  -1.381
   69   1HH1  ARG  11          1HH1      ARG  11  -3.325  -9.384  -1.065
   70   2HH1  ARG  11          2HH1      ARG  11  -2.455  -8.917   0.356
   71   1HH2  ARG  11          1HH2      ARG  11  -5.219  -7.322   1.913
   72   2HH2  ARG  11          2HH2      ARG  11  -3.618  -7.908   2.165
   73    H    CYS  12           H        CYS  12 -10.868 -11.246  -1.580
   74    HA   CYS  12           HA       CYS  12  -9.535 -13.804  -1.175
   75   1HB   CYS  12          1HB       CYS  12 -12.065 -13.187  -0.950
   76   2HB   CYS  12          2HB       CYS  12 -12.106 -13.302  -2.705

  No H/Q in entry =          76
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1 -16.544 -14.317   5.307
    2    H2   GLY   1           H2       GLY   1 -17.296 -15.487   4.428
    3    H3   GLY   1           H3       GLY   1 -16.420 -15.904   5.772
    4   1HA   GLY   1          2HA       GLY   1 -15.197 -16.416   3.747
    5   2HA   GLY   1          1HA       GLY   1 -14.408 -15.202   4.756
    6    H    CYS   2           H        CYS   2 -13.461 -13.871   3.399
    7    HA   CYS   2           HA       CYS   2 -15.022 -11.781   2.616
    8   1HB   CYS   2          1HB       CYS   2 -12.131 -12.542   2.345
    9   2HB   CYS   2          2HB       CYS   2 -12.740 -11.162   1.459
   10    H    CYS   3           H        CYS   3 -14.330 -14.513   0.533
   11    HA   CYS   3           HA       CYS   3 -14.437 -13.112  -1.949
   12   1HB   CYS   3          1HB       CYS   3 -15.157 -15.921  -1.148
   13   2HB   CYS   3          2HB       CYS   3 -15.377 -15.351  -2.790
   14    H    SER   4           H        SER   4 -16.913 -13.742   0.447
   15    HA   SER   4           HA       SER   4 -19.179 -13.579  -1.399
   16   1HB   SER   4          1HB       SER   4 -20.510 -13.562   0.671
   17   2HB   SER   4          2HB       SER   4 -19.446 -14.959   0.526
   18    HG   SER   4           HG       SER   4 -18.008 -13.975   2.011
   19    H    ASP   5           H        ASP   5 -17.738 -11.397   1.154
   20    HA   ASP   5           HA       ASP   5 -19.763  -9.456   0.474
   21   1HB   ASP   5          1HB       ASP   5 -19.499  -8.756   2.694
   22   2HB   ASP   5          2HB       ASP   5 -19.554 -10.500   2.689
   23    HA   PRO   6           HA       PRO   6 -17.172  -6.844  -1.567
   24   1HB   PRO   6          1HB       PRO   6 -18.184  -4.327  -1.219
   25   2HB   PRO   6          2HB       PRO   6 -19.105  -5.631  -2.041
   26   1HG   PRO   6          2HG       PRO   6 -19.269  -4.775   0.867
   27   2HG   PRO   6          1HG       PRO   6 -20.611  -5.008  -0.304
   28   1HD   PRO   6          1HD       PRO   6 -19.897  -6.958   1.448
   29   2HD   PRO   6          2HD       PRO   6 -20.377  -7.364  -0.227
   30    H    LEU   7           H        LEU   7 -15.710  -5.109  -1.582
   31    HA   LEU   7           HA       LEU   7 -13.986  -3.749  -0.946
   32   1HB   LEU   7          1HB       LEU   7 -14.811  -4.138   1.944
   33   2HB   LEU   7          2HB       LEU   7 -13.594  -3.037   1.373
   34    HG   LEU   7           HG       LEU   7 -16.500  -2.798   0.478
   35   1HD1  LEU   7          1HD1      LEU   7 -15.142  -1.531   2.886
   36   2HD1  LEU   7          2HD1      LEU   7 -16.748  -1.105   2.255
   37   3HD1  LEU   7          3HD1      LEU   7 -16.460  -2.719   2.900
   38   1HD2  LEU   7          1HD2      LEU   7 -14.176  -0.817   0.548
   39   2HD2  LEU   7          2HD2      LEU   7 -14.847  -1.591  -0.901
   40   3HD2  LEU   7          3HD2      LEU   7 -15.837  -0.461   0.024
   41    H    CYS   8           H        CYS   8 -14.677  -6.788   0.435
   42    HA   CYS   8           HA       CYS   8 -11.822  -7.428   0.853
   43   1HB   CYS   8          1HB       CYS   8 -13.631  -7.482   2.714
   44   2HB   CYS   8          2HB       CYS   8 -14.095  -9.015   1.962
   45    H    ALA   9           H        ALA   9 -14.477  -8.171  -1.059
   46    HA   ALA   9           HA       ALA   9 -14.041 -10.787  -1.821
   47   1HB   ALA   9          1HB       ALA   9 -15.282 -10.290  -3.910
   48   2HB   ALA   9          3HB       ALA   9 -16.055  -9.568  -2.488
   49   3HB   ALA   9          2HB       ALA   9 -15.105  -8.549  -3.590
   50    H    TRP  10           H        TRP  10 -12.500  -7.977  -3.596
   51    HA   TRP  10           HA       TRP  10 -11.062  -9.729  -5.213
   52   1HB   TRP  10          1HB       TRP  10 -10.088  -7.864  -6.018
   53   2HB   TRP  10          2HB       TRP  10 -11.620  -7.259  -5.516
   54    HD1  TRP  10           HD1      TRP  10 -10.641  -6.718  -2.359
   55    HE1  TRP  10           HE1      TRP  10  -9.120  -4.709  -1.908
   56    HE3  TRP  10           HE3      TRP  10  -8.845  -5.966  -7.110
   57    HZ2  TRP  10           HZ2      TRP  10  -7.525  -2.862  -3.458
   58    HZ3  TRP  10           HZ3      TRP  10  -7.306  -4.086  -7.580
   59    HH2  TRP  10           HH2      TRP  10  -6.640  -2.522  -5.755
   60    H    ARG  11           H        ARG  11 -10.600  -9.081  -1.882
   61    HA   ARG  11           HA       ARG  11  -7.730  -9.717  -2.040
   62   1HB   ARG  11          1HB       ARG  11  -8.749  -8.037  -0.290
   63   2HB   ARG  11          2HB       ARG  11  -9.111  -9.513   0.634
   64   1HG   ARG  11          1HG       ARG  11  -6.681 -10.161   0.459
   65   2HG   ARG  11          2HG       ARG  11  -6.396  -8.734  -0.528
   66   1HD   ARG  11          2HD       ARG  11  -5.577  -8.046   1.468
   67   2HD   ARG  11          1HD       ARG  11  -7.193  -7.358   1.520
   68    HE   ARG  11           HE       ARG  11  -6.057  -9.612   3.082
   69   1HH1  ARG  11          1HH1      ARG  11  -7.035 -10.120   5.018
   70   2HH1  ARG  11          2HH1      ARG  11  -8.629  -9.520   5.420
   71   1HH2  ARG  11          1HH2      ARG  11  -9.004  -7.612   2.460
   72   2HH2  ARG  11          2HH2      ARG  11  -9.681  -8.084   3.979
   73    H    CYS  12           H        CYS  12 -10.799 -11.297  -1.470
   74    HA   CYS  12           HA       CYS  12  -9.497 -13.761  -0.543
   75   1HB   CYS  12          1HB       CYS  12 -11.697 -13.176   0.235
   76   2HB   CYS  12          2HB       CYS  12 -12.311 -13.130  -1.420

  No H/Q in entry =          76
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1 -17.882 -12.429   4.572
    2    H2   GLY   1           H2       GLY   1 -18.660 -13.725   5.234
    3    H3   GLY   1           H3       GLY   1 -17.372 -13.024   6.012
    4   1HA   GLY   1          2HA       GLY   1 -17.265 -14.420   3.436
    5   2HA   GLY   1          1HA       GLY   1 -16.649 -15.070   4.965
    6    H    CYS   2           H        CYS   2 -15.304 -14.184   2.323
    7    HA   CYS   2           HA       CYS   2 -14.552 -11.467   2.797
    8   1HB   CYS   2          1HB       CYS   2 -12.625 -13.579   3.242
    9   2HB   CYS   2          2HB       CYS   2 -12.234 -12.781   1.751
   10    H    CYS   3           H        CYS   3 -14.571 -14.435   0.719
   11    HA   CYS   3           HA       CYS   3 -14.218 -13.071  -1.767
   12   1HB   CYS   3          1HB       CYS   3 -15.859 -15.553  -1.373
   13   2HB   CYS   3          2HB       CYS   3 -14.885 -15.114  -2.766
   14    H    SER   4           H        SER   4 -17.035 -13.727   0.257
   15    HA   SER   4           HA       SER   4 -19.086 -13.089  -1.642
   16   1HB   SER   4          1HB       SER   4 -20.389 -13.303   0.463
   17   2HB   SER   4          2HB       SER   4 -19.515 -14.733  -0.087
   18    HG   SER   4           HG       SER   4 -19.317 -14.189   2.236
   19    H    ASP   5           H        ASP   5 -18.250 -11.566   1.531
   20    HA   ASP   5           HA       ASP   5 -19.819  -9.320   1.031
   21   1HB   ASP   5          1HB       ASP   5 -18.700  -8.409   3.036
   22   2HB   ASP   5          2HB       ASP   5 -19.441  -9.981   3.254
   23    HA   PRO   6           HA       PRO   6 -16.925  -7.234  -1.659
   24   1HB   PRO   6          1HB       PRO   6 -18.167  -4.802  -1.881
   25   2HB   PRO   6          2HB       PRO   6 -18.735  -6.266  -2.731
   26   1HG   PRO   6          1HG       PRO   6 -19.769  -5.143  -0.124
   27   2HG   PRO   6          2HG       PRO   6 -20.709  -5.702  -1.544
   28   1HD   PRO   6          1HD       PRO   6 -20.277  -7.269   0.625
   29   2HD   PRO   6          2HD       PRO   6 -20.276  -7.970  -1.028
   30    H    LEU   7           H        LEU   7 -15.532  -5.523  -1.522
   31    HA   LEU   7           HA       LEU   7 -14.045  -4.044  -0.672
   32   1HB   LEU   7          1HB       LEU   7 -15.119  -4.465   2.135
   33   2HB   LEU   7          2HB       LEU   7 -13.836  -3.381   1.668
   34    HG   LEU   7           HG       LEU   7 -16.693  -3.102   0.631
   35   1HD1  LEU   7          1HD1      LEU   7 -15.302  -1.692   2.942
   36   2HD1  LEU   7          2HD1      LEU   7 -16.890  -1.259   2.273
   37   3HD1  LEU   7          3HD1      LEU   7 -16.662  -2.827   3.058
   38   1HD2  LEU   7          1HD2      LEU   7 -14.317  -1.185   0.577
   39   2HD2  LEU   7          2HD2      LEU   7 -15.019  -2.027  -0.825
   40   3HD2  LEU   7          3HD2      LEU   7 -15.969  -0.817   0.034
   41    H    CYS   8           H        CYS   8 -14.695  -7.262   0.522
   42    HA   CYS   8           HA       CYS   8 -11.749  -7.685   0.661
   43   1HB   CYS   8          1HB       CYS   8 -13.039  -8.155   2.788
   44   2HB   CYS   8          2HB       CYS   8 -13.787  -9.503   1.920
   45    H    ALA   9           H        ALA   9 -14.453  -8.243  -1.225
   46    HA   ALA   9           HA       ALA   9 -14.008 -10.791  -2.178
   47   1HB   ALA   9          1HB       ALA   9 -15.215 -10.068  -4.238
   48   2HB   ALA   9          3HB       ALA   9 -15.996  -9.486  -2.755
   49   3HB   ALA   9          2HB       ALA   9 -15.015  -8.375  -3.741
   50    H    TRP  10           H        TRP  10 -12.414  -7.798  -3.499
   51    HA   TRP  10           HA       TRP  10 -10.864  -9.122  -5.378
   52   1HB   TRP  10          1HB       TRP  10  -9.806  -7.133  -5.595
   53   2HB   TRP  10          2HB       TRP  10 -11.314  -6.606  -4.936
   54    HD1  TRP  10           HD1      TRP  10 -10.874  -6.561  -1.868
   55    HE1  TRP  10           HE1      TRP  10  -9.169  -4.969  -0.789
   56    HE3  TRP  10           HE3      TRP  10  -7.793  -5.800  -5.893
   57    HZ2  TRP  10           HZ2      TRP  10  -6.928  -3.380  -1.632
   58    HZ3  TRP  10           HZ3      TRP  10  -5.985  -4.136  -5.764
   59    HH2  TRP  10           HH2      TRP  10  -5.572  -2.878  -3.652
   60    H    ARG  11           H        ARG  11 -10.554  -9.130  -1.960
   61    HA   ARG  11           HA       ARG  11  -7.668  -9.698  -1.928
   62   1HB   ARG  11          1HB       ARG  11  -9.250  -8.430  -0.078
   63   2HB   ARG  11          2HB       ARG  11  -9.263 -10.080   0.574
   64   1HG   ARG  11          1HG       ARG  11  -6.742 -10.074   0.474
   65   2HG   ARG  11          2HG       ARG  11  -6.822  -8.418  -0.142
   66   1HD   ARG  11          1HD       ARG  11  -8.315  -8.149   2.146
   67   2HD   ARG  11          2HD       ARG  11  -7.240  -9.459   2.629
   68    HE   ARG  11           HE       ARG  11  -5.377  -8.089   2.427
   69   1HH1  ARG  11          1HH1      ARG  11  -4.300  -6.073   1.918
   70   2HH1  ARG  11          2HH1      ARG  11  -5.241  -4.629   1.653
   71   1HH2  ARG  11          1HH2      ARG  11  -8.370  -6.242   1.778
   72   2HH2  ARG  11          2HH2      ARG  11  -7.584  -4.793   1.321
   73    H    CYS  12           H        CYS  12 -10.710 -11.388  -1.683
   74    HA   CYS  12           HA       CYS  12  -9.471 -14.016  -1.212
   75   1HB   CYS  12          1HB       CYS  12 -11.758 -13.697  -0.551
   76   2HB   CYS  12          2HB       CYS  12 -12.203 -13.184  -2.190

  No H/Q in entry =          76
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1 -18.768 -14.405   3.103
    2    H2   GLY   1           H2       GLY   1 -17.922 -15.756   2.687
    3    H3   GLY   1           H3       GLY   1 -18.689 -15.694   4.145
    4   1HA   GLY   1          2HA       GLY   1 -16.308 -15.407   4.331
    5   2HA   GLY   1          1HA       GLY   1 -17.233 -14.017   4.935
    6    H    CYS   2           H        CYS   2 -14.465 -13.952   3.987
    7    HA   CYS   2           HA       CYS   2 -14.522 -11.500   2.898
    8   1HB   CYS   2          1HB       CYS   2 -12.487 -13.498   3.387
    9   2HB   CYS   2          2HB       CYS   2 -12.107 -12.573   1.956
   10    H    CYS   3           H        CYS   3 -14.040 -14.456   0.871
   11    HA   CYS   3           HA       CYS   3 -13.694 -13.137  -1.573
   12   1HB   CYS   3          1HB       CYS   3 -14.978 -15.774  -0.914
   13   2HB   CYS   3          2HB       CYS   3 -14.638 -15.263  -2.555
   14    H    SER   4           H        SER   4 -16.737 -13.540   0.234
   15    HA   SER   4           HA       SER   4 -18.265 -12.866  -2.189
   16   1HB   SER   4          1HB       SER   4 -20.222 -13.480  -0.799
   17   2HB   SER   4          2HB       SER   4 -19.169 -14.723  -1.439
   18    HG   SER   4           HG       SER   4 -19.374 -13.790   1.227
   19    H    ASP   5           H        ASP   5 -17.114 -11.178   0.751
   20    HA   ASP   5           HA       ASP   5 -19.456  -9.508   0.646
   21   1HB   ASP   5          1HB       ASP   5 -19.048  -8.965   2.728
   22   2HB   ASP   5          2HB       ASP   5 -18.506 -10.592   2.663
   23    HA   PRO   6           HA       PRO   6 -17.331  -6.455  -1.798
   24   1HB   PRO   6          1HB       PRO   6 -18.719  -4.144  -1.110
   25   2HB   PRO   6          2HB       PRO   6 -19.297  -5.382  -2.265
   26   1HG   PRO   6          2HG       PRO   6 -19.907  -5.178   0.695
   27   2HG   PRO   6          1HG       PRO   6 -21.059  -5.385  -0.657
   28   1HD   PRO   6          1HD       PRO   6 -20.231  -7.485   0.805
   29   2HD   PRO   6          2HD       PRO   6 -20.319  -7.663  -0.977
   30    H    LEU   7           H        LEU   7 -15.553  -5.551  -1.502
   31    HA   LEU   7           HA       LEU   7 -13.863  -4.208  -0.863
   32   1HB   LEU   7          1HB       LEU   7 -14.946  -4.046   1.956
   33   2HB   LEU   7          2HB       LEU   7 -13.501  -3.280   1.367
   34    HG   LEU   7           HG       LEU   7 -16.282  -2.637   0.301
   35   1HD1  LEU   7          1HD1      LEU   7 -15.981  -1.970   2.679
   36   2HD1  LEU   7          2HD1      LEU   7 -14.529  -1.061   2.235
   37   3HD1  LEU   7          3HD1      LEU   7 -16.122  -0.582   1.605
   38   1HD2  LEU   7          1HD2      LEU   7 -13.565  -1.313  -0.130
   39   2HD2  LEU   7          2HD2      LEU   7 -14.555  -2.137  -1.354
   40   3HD2  LEU   7          3HD2      LEU   7 -15.122  -0.626  -0.645
   41    H    CYS   8           H        CYS   8 -14.878  -7.226   0.629
   42    HA   CYS   8           HA       CYS   8 -11.961  -7.774   0.803
   43   1HB   CYS   8          1HB       CYS   8 -13.323  -8.161   2.957
   44   2HB   CYS   8          2HB       CYS   8 -13.936  -9.584   2.104
   45    H    ALA   9           H        ALA   9 -14.785  -8.452  -0.880
   46    HA   ALA   9           HA       ALA   9 -14.306 -10.926  -1.951
   47   1HB   ALA   9          1HB       ALA   9 -15.523 -10.193  -3.999
   48   2HB   ALA   9          3HB       ALA   9 -16.321  -9.721  -2.490
   49   3HB   ALA   9          2HB       ALA   9 -15.419  -8.512  -3.424
   50    H    TRP  10           H        TRP  10 -12.810  -7.886  -3.239
   51    HA   TRP  10           HA       TRP  10 -11.293  -9.064  -5.219
   52   1HB   TRP  10          1HB       TRP  10 -10.286  -6.998  -5.355
   53   2HB   TRP  10          2HB       TRP  10 -11.826  -6.596  -4.650
   54    HD1  TRP  10           HD1      TRP  10 -11.686  -6.372  -1.789
   55    HE1  TRP  10           HE1      TRP  10  -9.884  -5.241  -0.369
   56    HE3  TRP  10           HE3      TRP  10  -7.864  -6.363  -5.203
   57    HZ2  TRP  10           HZ2      TRP  10  -7.165  -4.333  -0.712
   58    HZ3  TRP  10           HZ3      TRP  10  -5.681  -5.347  -4.625
   59    HH2  TRP  10           HH2      TRP  10  -5.333  -4.285  -2.410
   60    H    ARG  11           H        ARG  11 -10.830  -9.423  -1.840
   61    HA   ARG  11           HA       ARG  11  -7.944  -9.940  -1.867
   62   1HB   ARG  11          1HB       ARG  11  -9.416  -8.984   0.090
   63   2HB   ARG  11          2HB       ARG  11  -9.940 -10.657   0.306
   64   1HG   ARG  11          1HG       ARG  11  -8.280 -10.117   1.905
   65   2HG   ARG  11          2HG       ARG  11  -7.626 -11.346   0.830
   66   1HD   ARG  11          1HD       ARG  11  -6.308  -9.677  -0.359
   67   2HD   ARG  11          2HD       ARG  11  -7.089  -8.360   0.549
   68    HE   ARG  11           HE       ARG  11  -5.847 -10.246   2.319
   69   1HH1  ARG  11          1HH1      ARG  11  -3.871  -9.573   3.432
   70   2HH1  ARG  11          2HH1      ARG  11  -2.892  -8.336   2.731
   71   1HH2  ARG  11          1HH2      ARG  11  -5.004  -7.681  -0.009
   72   2HH2  ARG  11          2HH2      ARG  11  -3.485  -7.312   0.787
   73    H    CYS  12           H        CYS  12 -10.668 -11.714  -2.986
   74    HA   CYS  12           HA       CYS  12 -10.395 -14.088  -1.618
   75   1HB   CYS  12          1HB       CYS  12 -12.261 -13.397  -3.206
   76   2HB   CYS  12          2HB       CYS  12 -11.208 -13.860  -4.542

  No H/Q in entry =          76
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1 -18.390 -12.052   5.300
    2    H2   GLY   1           H2       GLY   1 -19.138 -13.195   4.389
    3    H3   GLY   1           H3       GLY   1 -18.872 -13.458   5.996
    4   1HA   GLY   1          2HA       GLY   1 -17.302 -14.700   4.647
    5   2HA   GLY   1          1HA       GLY   1 -16.517 -13.491   5.675
    6    H    CYS   2           H        CYS   2 -14.763 -12.999   4.467
    7    HA   CYS   2           HA       CYS   2 -14.763 -10.902   2.944
    8   1HB   CYS   2          1HB       CYS   2 -12.866 -13.150   3.441
    9   2HB   CYS   2          2HB       CYS   2 -12.452 -12.056   2.144
   10    H    CYS   3           H        CYS   3 -14.203 -14.111   1.439
   11    HA   CYS   3           HA       CYS   3 -13.821 -13.148  -1.120
   12   1HB   CYS   3          1HB       CYS   3 -13.421 -15.469  -0.084
   13   2HB   CYS   3          2HB       CYS   3 -15.079 -15.788  -0.534
   14    H    SER   4           H        SER   4 -16.848 -13.642   0.498
   15    HA   SER   4           HA       SER   4 -18.456 -13.452  -1.984
   16   1HB   SER   4          1HB       SER   4 -20.289 -13.980  -0.401
   17   2HB   SER   4          2HB       SER   4 -19.094 -15.238  -0.702
   18    HG   SER   4           HG       SER   4 -18.652 -13.526   1.490
   19    H    ASP   5           H        ASP   5 -17.181 -11.032   0.289
   20    HA   ASP   5           HA       ASP   5 -19.609  -9.493   0.014
   21   1HB   ASP   5          1HB       ASP   5 -19.166  -8.646   2.013
   22   2HB   ASP   5          2HB       ASP   5 -18.901 -10.344   2.222
   23    HA   PRO   6           HA       PRO   6 -17.165  -6.666  -2.325
   24   1HB   PRO   6          1HB       PRO   6 -18.867  -4.585  -2.627
   25   2HB   PRO   6          2HB       PRO   6 -19.318  -6.227  -3.172
   26   1HG   PRO   6          2HG       PRO   6 -20.049  -4.884  -0.543
   27   2HG   PRO   6          1HG       PRO   6 -21.124  -5.711  -1.726
   28   1HD   PRO   6          1HD       PRO   6 -20.091  -6.975   0.492
   29   2HD   PRO   6          2HD       PRO   6 -20.452  -7.817  -1.047
   30    H    LEU   7           H        LEU   7 -16.526  -6.683   0.603
   31    HA   LEU   7           HA       LEU   7 -15.050  -4.154   0.497
   32   1HB   LEU   7          2HB       LEU   7 -15.604  -3.587   2.830
   33   2HB   LEU   7          1HB       LEU   7 -16.957  -3.510   1.726
   34    HG   LEU   7           HG       LEU   7 -17.700  -5.804   2.603
   35   1HD1  LEU   7          1HD1      LEU   7 -15.787  -5.019   4.858
   36   2HD1  LEU   7          2HD1      LEU   7 -16.995  -6.331   4.907
   37   3HD1  LEU   7          3HD1      LEU   7 -15.632  -6.436   3.797
   38   1HD2  LEU   7          1HD2      LEU   7 -18.823  -3.688   3.122
   39   2HD2  LEU   7          2HD2      LEU   7 -18.825  -4.783   4.507
   40   3HD2  LEU   7          3HD2      LEU   7 -17.692  -3.409   4.471
   41    H    CYS   8           H        CYS   8 -14.806  -7.242   0.322
   42    HA   CYS   8           HA       CYS   8 -12.075  -7.149   1.293
   43   1HB   CYS   8          1HB       CYS   8 -13.427  -7.946   3.265
   44   2HB   CYS   8          2HB       CYS   8 -13.919  -9.301   2.264
   45    H    ALA   9           H        ALA   9 -14.363  -8.353  -0.851
   46    HA   ALA   9           HA       ALA   9 -13.001 -10.747  -1.652
   47   1HB   ALA   9          1HB       ALA   9 -15.374 -10.477  -2.049
   48   2HB   ALA   9          3HB       ALA   9 -15.057  -9.143  -3.187
   49   3HB   ALA   9          2HB       ALA   9 -14.538 -10.797  -3.568
   50    H    TRP  10           H        TRP  10 -11.383  -7.972  -1.868
   51    HA   TRP  10           HA       TRP  10 -10.688  -7.463  -4.459
   52   1HB   TRP  10          1HB       TRP  10  -8.879  -6.381  -3.560
   53   2HB   TRP  10          2HB       TRP  10 -10.043  -6.291  -2.287
   54    HD1  TRP  10           HD1      TRP  10  -9.592  -8.023  -0.156
   55    HE1  TRP  10           HE1      TRP  10  -7.480  -9.007   0.808
   56    HE3  TRP  10           HE3      TRP  10  -6.426  -7.044  -4.071
   57    HZ2  TRP  10           HZ2      TRP  10  -4.765  -9.558  -0.108
   58    HZ3  TRP  10           HZ3      TRP  10  -4.082  -7.799  -3.986
   59    HH2  TRP  10           HH2      TRP  10  -3.244  -9.091  -2.014
   60    H    ARG  11           H        ARG  11  -9.719 -10.117  -2.496
   61    HA   ARG  11           HA       ARG  11  -8.817 -11.641  -4.802
   62   1HB   ARG  11          1HB       ARG  11  -6.853 -10.032  -3.837
   63   2HB   ARG  11          2HB       ARG  11  -6.573 -11.419  -2.790
   64   1HG   ARG  11          1HG       ARG  11  -6.448 -12.860  -4.858
   65   2HG   ARG  11          2HG       ARG  11  -6.837 -11.416  -5.822
   66   1HD   ARG  11          1HD       ARG  11  -4.740 -10.368  -4.755
   67   2HD   ARG  11          2HD       ARG  11  -4.275 -12.027  -4.335
   68    HE   ARG  11           HE       ARG  11  -4.870 -12.337  -6.933
   69   1HH1  ARG  11          1HH1      ARG  11  -3.781 -11.719  -8.914
   70   2HH1  ARG  11          2HH1      ARG  11  -2.854 -10.262  -8.931
   71   1HH2  ARG  11          1HH2      ARG  11  -2.969  -9.780  -5.443
   72   2HH2  ARG  11          2HH2      ARG  11  -2.483  -9.024  -6.937
   73    H    CYS  12           H        CYS  12 -10.824 -11.956  -2.958
   74    HA   CYS  12           HA       CYS  12 -11.955 -13.498  -1.873
   75   1HB   CYS  12          1HB       CYS  12 -10.791 -14.919  -3.583
   76   2HB   CYS  12          2HB       CYS  12  -9.640 -15.382  -2.332

  No H/Q in entry =          76
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1 -17.015 -14.177   4.107
    2    H2   GLY   1           H2       GLY   1 -17.034 -15.757   4.610
    3    H3   GLY   1           H3       GLY   1 -16.417 -14.576   5.584
    4   1HA   GLY   1          2HA       GLY   1 -15.308 -15.603   3.082
    5   2HA   GLY   1          1HA       GLY   1 -14.548 -15.664   4.680
    6    H    CYS   2           H        CYS   2 -13.840 -14.300   1.992
    7    HA   CYS   2           HA       CYS   2 -14.534 -11.475   2.565
    8   1HB   CYS   2          1HB       CYS   2 -11.851 -12.637   2.260
    9   2HB   CYS   2          2HB       CYS   2 -12.196 -11.476   1.005
   10    H    CYS   3           H        CYS   3 -14.313 -14.143   0.263
   11    HA   CYS   3           HA       CYS   3 -14.318 -12.770  -2.144
   12   1HB   CYS   3          1HB       CYS   3 -15.872 -15.279  -1.579
   13   2HB   CYS   3          2HB       CYS   3 -15.163 -14.797  -3.106
   14    H    SER   4           H        SER   4 -17.204 -13.756  -0.192
   15    HA   SER   4           HA       SER   4 -18.979 -12.549  -2.166
   16   1HB   SER   4          1HB       SER   4 -20.698 -13.551  -0.703
   17   2HB   SER   4          2HB       SER   4 -19.538 -14.687  -1.397
   18    HG   SER   4           HG       SER   4 -20.047 -14.042   1.199
   19    H    ASP   5           H        ASP   5 -18.177 -12.034   1.351
   20    HA   ASP   5           HA       ASP   5 -19.923  -9.800   1.631
   21   1HB   ASP   5          1HB       ASP   5 -18.695  -9.503   3.754
   22   2HB   ASP   5          2HB       ASP   5 -19.521 -11.025   3.556
   23    HA   PRO   6           HA       PRO   6 -17.209  -7.762  -1.096
   24   1HB   PRO   6          1HB       PRO   6 -18.466  -5.358  -1.508
   25   2HB   PRO   6          2HB       PRO   6 -19.168  -6.923  -2.013
   26   1HG   PRO   6          2HG       PRO   6 -19.694  -5.414   0.574
   27   2HG   PRO   6          1HG       PRO   6 -20.888  -6.010  -0.619
   28   1HD   PRO   6          1HD       PRO   6 -20.276  -7.481   1.565
   29   2HD   PRO   6          2HD       PRO   6 -20.497  -8.272  -0.029
   30    H    LEU   7           H        LEU   7 -16.145  -5.624  -1.524
   31    HA   LEU   7           HA       LEU   7 -14.794  -3.928  -1.174
   32   1HB   LEU   7          1HB       LEU   7 -15.247  -3.966   1.811
   33   2HB   LEU   7          2HB       LEU   7 -14.526  -2.715   0.827
   34    HG   LEU   7           HG       LEU   7 -17.466  -3.519   0.841
   35   1HD1  LEU   7          1HD1      LEU   7 -16.722  -2.200   2.768
   36   2HD1  LEU   7          2HD1      LEU   7 -16.041  -0.964   1.692
   37   3HD1  LEU   7          3HD1      LEU   7 -17.794  -1.252   1.731
   38   1HD2  LEU   7          1HD2      LEU   7 -15.969  -1.526  -0.901
   39   2HD2  LEU   7          2HD2      LEU   7 -16.963  -2.898  -1.432
   40   3HD2  LEU   7          3HD2      LEU   7 -17.722  -1.501  -0.665
   41    H    CYS   8           H        CYS   8 -14.557  -6.914   0.414
   42    HA   CYS   8           HA       CYS   8 -11.622  -6.804   0.027
   43   1HB   CYS   8          1HB       CYS   8 -11.187  -8.263   1.796
   44   2HB   CYS   8          2HB       CYS   8 -12.068  -6.881   2.415
   45    H    ALA   9           H        ALA   9 -14.106  -7.633  -1.652
   46    HA   ALA   9           HA       ALA   9 -14.081 -10.437  -2.051
   47   1HB   ALA   9          1HB       ALA   9 -15.162  -9.941  -4.160
   48   2HB   ALA   9          3HB       ALA   9 -15.807  -8.914  -2.876
   49   3HB   ALA   9          2HB       ALA   9 -14.663  -8.242  -4.067
   50    H    TRP  10           H        TRP  10 -12.100  -7.871  -3.613
   51    HA   TRP  10           HA       TRP  10 -10.489  -9.473  -5.186
   52   1HB   TRP  10          1HB       TRP  10  -9.186  -7.579  -5.358
   53   2HB   TRP  10          2HB       TRP  10 -10.769  -6.937  -5.061
   54    HD1  TRP  10           HD1      TRP  10 -10.905  -6.945  -1.967
   55    HE1  TRP  10           HE1      TRP  10  -9.524  -5.280  -0.590
   56    HE3  TRP  10           HE3      TRP  10  -7.270  -5.926  -5.400
   57    HZ2  TRP  10           HZ2      TRP  10  -7.245  -3.574  -1.015
   58    HZ3  TRP  10           HZ3      TRP  10  -5.545  -4.247  -4.910
   59    HH2  TRP  10           HH2      TRP  10  -5.564  -3.002  -2.743
   60    H    ARG  11           H        ARG  11 -10.488  -9.453  -1.750
   61    HA   ARG  11           HA       ARG  11  -7.702 -10.336  -1.445
   62   1HB   ARG  11          1HB       ARG  11  -9.396  -9.087   0.296
   63   2HB   ARG  11          2HB       ARG  11  -9.723 -10.759   0.730
   64   1HG   ARG  11          1HG       ARG  11  -7.981 -10.256   2.168
   65   2HG   ARG  11          2HG       ARG  11  -7.090 -10.982   0.841
   66   1HD   ARG  11          1HD       ARG  11  -5.901  -8.980   1.433
   67   2HD   ARG  11          2HD       ARG  11  -6.711  -8.637  -0.090
   68    HE   ARG  11           HE       ARG  11  -7.860  -6.968   0.921
   69   1HH1  ARG  11          1HH1      ARG  11  -8.963  -5.822   2.594
   70   2HH1  ARG  11          2HH1      ARG  11  -8.900  -6.485   4.206
   71   1HH2  ARG  11          1HH2      ARG  11  -6.573  -9.001   3.621
   72   2HH2  ARG  11          2HH2      ARG  11  -7.421  -8.024   4.792
   73    H    CYS  12           H        CYS  12 -10.605 -11.798  -2.500
   74    HA   CYS  12           HA       CYS  12 -10.363 -14.419  -1.406
   75   1HB   CYS  12          1HB       CYS  12 -12.310 -13.320  -2.638
   76   2HB   CYS  12          2HB       CYS  12 -11.417 -13.594  -4.129

  No H/Q in entry =          76
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1 -19.102 -14.386   2.899
    2    H2   GLY   1           H2       GLY   1 -19.305 -15.365   4.204
    3    H3   GLY   1           H3       GLY   1 -19.088 -13.735   4.411
    4   1HA   GLY   1          2HA       GLY   1 -17.137 -15.689   3.440
    5   2HA   GLY   1          1HA       GLY   1 -17.086 -14.793   4.968
    6    H    CYS   2           H        CYS   2 -14.844 -14.471   3.711
    7    HA   CYS   2           HA       CYS   2 -14.704 -11.719   3.095
    8   1HB   CYS   2          1HB       CYS   2 -12.933 -13.771   3.800
    9   2HB   CYS   2          2HB       CYS   2 -12.378 -13.245   2.222
   10    H    CYS   3           H        CYS   3 -14.555 -14.608   0.881
   11    HA   CYS   3           HA       CYS   3 -14.002 -13.013  -1.420
   12   1HB   CYS   3          1HB       CYS   3 -15.433 -15.651  -1.317
   13   2HB   CYS   3          2HB       CYS   3 -14.718 -14.906  -2.733
   14    H    SER   4           H        SER   4 -16.997 -13.446   0.356
   15    HA   SER   4           HA       SER   4 -18.612 -12.552  -1.949
   16   1HB   SER   4          1HB       SER   4 -20.530 -13.171  -0.570
   17   2HB   SER   4          2HB       SER   4 -19.431 -14.507  -0.888
   18    HG   SER   4           HG       SER   4 -19.771 -13.037   1.518
   19    H    ASP   5           H        ASP   5 -17.357 -11.178   1.204
   20    HA   ASP   5           HA       ASP   5 -19.309  -9.114   1.106
   21   1HB   ASP   5          1HB       ASP   5 -18.478  -8.326   2.976
   22   2HB   ASP   5          2HB       ASP   5 -18.225 -10.023   3.140
   23    HA   PRO   6           HA       PRO   6 -17.076  -7.340  -2.255
   24   1HB   PRO   6          1HB       PRO   6 -18.601  -5.162  -2.874
   25   2HB   PRO   6          2HB       PRO   6 -19.221  -6.829  -2.990
   26   1HG   PRO   6          2HG       PRO   6 -19.525  -4.905  -0.663
   27   2HG   PRO   6          1HG       PRO   6 -20.812  -5.801  -1.537
   28   1HD   PRO   6          1HD       PRO   6 -19.712  -6.738   0.785
   29   2HD   PRO   6          2HD       PRO   6 -20.186  -7.846  -0.539
   30    H    LEU   7           H        LEU   7 -16.052  -6.661   0.422
   31    HA   LEU   7           HA       LEU   7 -14.244  -4.601  -0.553
   32   1HB   LEU   7          1HB       LEU   7 -14.289  -3.273   1.465
   33   2HB   LEU   7          2HB       LEU   7 -15.794  -3.263   0.591
   34    HG   LEU   7           HG       LEU   7 -16.603  -5.053   2.337
   35   1HD1  LEU   7          1HD1      LEU   7 -14.305  -3.719   3.856
   36   2HD1  LEU   7          2HD1      LEU   7 -15.599  -4.680   4.578
   37   3HD1  LEU   7          3HD1      LEU   7 -14.451  -5.456   3.484
   38   1HD2  LEU   7          1HD2      LEU   7 -16.148  -2.135   3.074
   39   2HD2  LEU   7          2HD2      LEU   7 -17.496  -2.779   2.107
   40   3HD2  LEU   7          3HD2      LEU   7 -17.346  -3.224   3.808
   41    H    CYS   8           H        CYS   8 -14.701  -7.622   0.418
   42    HA   CYS   8           HA       CYS   8 -11.808  -7.813   0.856
   43   1HB   CYS   8          1HB       CYS   8 -12.979  -8.500   2.951
   44   2HB   CYS   8          2HB       CYS   8 -13.832  -9.725   2.025
   45    H    ALA   9           H        ALA   9 -14.560  -8.632  -0.883
   46    HA   ALA   9           HA       ALA   9 -13.932 -10.997  -2.149
   47   1HB   ALA   9          1HB       ALA   9 -15.389 -10.229  -4.007
   48   2HB   ALA   9          3HB       ALA   9 -16.088  -9.847  -2.421
   49   3HB   ALA   9          2HB       ALA   9 -15.297  -8.568  -3.379
   50    H    TRP  10           H        TRP  10 -12.626  -7.741  -3.020
   51    HA   TRP  10           HA       TRP  10 -11.274  -8.390  -5.324
   52   1HB   TRP  10          1HB       TRP  10 -10.158  -6.403  -4.960
   53   2HB   TRP  10          2HB       TRP  10 -11.665  -6.142  -4.142
   54    HD1  TRP  10           HD1      TRP  10 -11.306  -7.051  -1.334
   55    HE1  TRP  10           HE1      TRP  10  -9.459  -6.385   0.274
   56    HE3  TRP  10           HE3      TRP  10  -7.913  -5.236  -4.695
   57    HZ2  TRP  10           HZ2      TRP  10  -7.048  -4.750   0.181
   58    HZ3  TRP  10           HZ3      TRP  10  -5.917  -3.977  -3.893
   59    HH2  TRP  10           HH2      TRP  10  -5.501  -3.713  -1.467
   60    H    ARG  11           H        ARG  11 -10.478  -9.391  -2.127
   61    HA   ARG  11           HA       ARG  11  -8.291 -11.028  -3.029
   62   1HB   ARG  11          1HB       ARG  11  -7.296  -8.624  -2.912
   63   2HB   ARG  11          2HB       ARG  11  -7.386  -8.782  -1.158
   64   1HG   ARG  11          1HG       ARG  11  -5.964 -10.811  -1.274
   65   2HG   ARG  11          2HG       ARG  11  -6.052 -10.784  -3.043
   66   1HD   ARG  11          1HD       ARG  11  -4.965  -8.481  -2.951
   67   2HD   ARG  11          2HD       ARG  11  -4.610  -8.810  -1.247
   68    HE   ARG  11           HE       ARG  11  -3.516 -10.953  -2.105
   69   1HH1  ARG  11          1HH1      ARG  11  -2.102 -11.772  -3.498
   70   2HH1  ARG  11          2HH1      ARG  11  -1.547 -10.941  -4.936
   71   1HH2  ARG  11          1HH2      ARG  11  -3.479  -8.018  -4.171
   72   2HH2  ARG  11          2HH2      ARG  11  -2.326  -8.703  -5.265
   73    H    CYS  12           H        CYS  12 -10.066 -12.294  -2.074
   74    HA   CYS  12           HA       CYS  12  -9.871 -12.626   0.844
   75   1HB   CYS  12          2HB       CYS  12 -11.280 -14.557   0.527
   76   2HB   CYS  12          1HB       CYS  12 -12.008 -13.084  -0.108

  No H/Q in entry =          76