*HEADER    TOXIN                                   09-AUG-06   2J15
*TITLE     CYCLIC MRIA: AN EXCEPTIONALLY STABLE AND POTENT CYCLIC
*TITLE    2 CONOTOXIN WITH A NOVEL TOPOLOGICAL FOLD THAT TARGETS THE
*TITLE    3 NOREPINEPHRINE TRANSPORTER.
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: MAI126P;
*COMPND   3 SYNONYM: CYCLIC MRIA;
*COMPND   4 CHAIN: A;
*COMPND   5 FRAGMENT: RESIDUES 49-61;
*COMPND   6 MUTATION: YES;
*COMPND   7 OTHER_DETAILS: MRIA WITH A CYCLISED BACKBONE INCORPORATING
*COMPND   8  A TWO RESIDUE LINKER
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS MARMOREUS
*KEYWDS    TOXIN
*EXPDTA    NMR, 21 STRUCTURES
*AUTHOR    E.S.LOVELACE,C.J.ARMISHAW,M.L.COLGRAVE,M.E.WALSTROM,P.F.ALEWOOD,
*AUTHOR   2 N.L.DALY,D.J.CRAIK





assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.335    0.535    0.535  
assign (resid   1 and name   HN)   (resid  14 and name   HA)   3.480    1.680    1.680  
assign (resid   1 and name   HN)   (resid  14 and name  HB#)   4.165    2.365    2.365  
assign (resid   1 and name   HN)   (resid  15 and name   HN)   2.535    0.735    0.735  
assign (resid   1 and name   HN)   (resid  15 and name  HA1)   2.580    0.780    0.780  
assign (resid   1 and name   HN)   (resid  15 and name  HA2)   2.580    0.780    0.780  
assign (resid   1 and name   HN)   (resid  15 and name  HA#)   2.375    0.575    0.575  
assign (resid   1 and name   HA)   (resid   2 and name   HN)   0 0 5.0  
assign (resid   1 and name   HA)   (resid  15 and name   HN)   3.465    1.665    1.665  
assign (resid   1 and name  HB2)   (resid   2 and name   HN)   3.090    1.290    1.290  
assign (resid   1 and name  HB1)   (resid   2 and name   HN)   2.935    1.135    1.135  
assign (resid 2 and name HN)(resid 13 and name HN) 0 0 3.5
assign (resid 2 and name HN)(resid 15 and name HN) 0 0 5.0
assign (resid   2 and name  HA1)   (resid   3 and name   HN)   2.300    0.500    0.500  
assign (resid   2 and name  HA2)   (resid   3 and name   HN)   2.300    0.500    0.500  
assign (resid   2 and name  HA#)   (resid   3 and name   HN)   2.185    0.385    0.385  
assign (resid   3 and name   HN)   (resid   3 and name   HB)   2.350    0.550    0.550  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   3.325    1.525    1.525  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.115    0.315    0.315  
assign (resid   3 and name   HA)   (resid   4 and name  HB#)   4.090    2.290    2.290  
assign (resid   3 and name   HA)   (resid  12 and name   HA)   2.440    0.640    0.640  
assign (resid   3 and name   HA)   (resid  13 and name   HN)   2.640    0.840    0.840  
assign (resid   3 and name   HB)   (resid   4 and name   HN)   2.830    1.030    1.030  
assign (resid   3 and name  HG*)   (resid   4 and name   HN)   4.120    2.320    2.320  
assign (resid   3 and name  HG*)   (resid   5 and name   HN)   4.710    2.910    2.910  
assign (resid   3 and name  HG*)   (resid  11 and name   HN)   4.555    2.755    2.755  
assign (resid   3 and name  HG*)   (resid  13 and name   HN)   4.710    2.910    2.910  
assign (resid   4 and name   HN)   (resid  10 and name  HB2)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid  10 and name  HB1)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid  11 and name   HN)   2.425    0.625    0.625  
assign (resid 4 and name HN)(resid 12 and name HA) 0 0 5.0
assign (resid   4 and name   HN)   (resid  13 and name   HN)   2.890    1.090    1.090  
assign (resid   4 and name   HN)   (resid  13 and name  HB#)   4.090    2.290    2.290  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.210    0.410    0.410  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   2.970    1.170    1.170  
assign (resid   4 and name  HB2)   (resid  13 and name  HB#)   3.065    1.265    1.265  
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   2.970    1.170    1.170  
assign (resid   4 and name  HB1)   (resid  13 and name  HB#)   0 0 5  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.805    1.005    1.005  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   3.030    1.230    1.230  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.100    0.300    0.300  
assign (resid   5 and name   HA)   (resid   6 and name  HA#)   3.730    1.930    1.930  
assign (resid   5 and name   HA)   (resid  10 and name   HA)    0 0 2.7
assign (resid   5 and name  HB#)   (resid   6 and name   HN)   2.910    1.110    1.110  
assign (resid   5 and name  HB#)   (resid   9 and name   HN)   4.090    2.290    2.290  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   0 0 5.0  
assign (resid   6 and name   HN)   (resid   9 and name   HN)   0 0 5.0
assign (resid   6 and name   HN)   (resid  10 and name   HA)   2.470    0.670    0.670
assign (resid   6 and name   HA1)   (resid  7 and name   HN)   0 0 3.5
assign (resid   6 and name   HA2)   (resid  7 and name   HN)   0 0 3.5  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   0 0 3.5
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.650    0.850    0.850  
assign (resid   7 and name   HA)   (resid   8 and name  HG#)   4.090    2.290    2.290  
assign (resid   7 and name   HA)   (resid   9 and name   HN)   3.340    1.540    1.540  
assign (resid   7 and name  HB#)   (resid   8 and name   HN)   2.895    1.095    1.095  
assign (resid   7 and name  HB#)   (resid   9 and name   HN)   3.485    1.685    1.685  
assign (resid   7 and name  HE#)   (resid   8 and name  HB#)   5.160    3.360    3.360  
assign (resid   7 and name  HE#)   (resid   8 and name  HG#)   5.160    3.360    3.360  
assign (resid   7 and name  HE#)   (resid   8 and name  HD#)   5.160    3.360    3.360  
assign (resid   7 and name  HE#)   (resid  10 and name   HA)   4.720    2.920    2.920  
assign (resid   7 and name  HD#)   (resid   8 and name  HB#)   5.155    3.355    3.355  
assign (resid   7 and name  HD#)   (resid   8 and name  HG#)   5.155    3.355    3.355  
assign (resid   7 and name  HD#)   (resid   8 and name  HD#)   5.155    3.355    3.355  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   0 0 3.5  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.455    0.655    0.655  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   2.970    1.170    1.170  
assign (resid   8 and name  HG#)   (resid   9 and name   HN)   4.090    2.290    2.290  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.100    0.300    0.300  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   3.250    1.450    1.450  
assign (resid   9 and name   HG)   (resid  10 and name   HN)   2.565    0.765    0.765  
assign (resid   9 and name  HD#)   (resid  10 and name   HN)   4.640    2.840    2.840  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   0 0 5.0  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   2.750    0.950    0.950  
assign (resid  11 and name   HA)   (resid  12 and name  HD#)   2.510    0.710    0.710  
assign (resid  11 and name  HB#)   (resid  12 and name  HB#)   4.365    2.565    2.565  
assign (resid  11 and name  HB#)   (resid  12 and name  HG#)   4.525    2.725    2.725  
assign (resid  11 and name  HB#)   (resid  12 and name  HD#)   3.365    1.565    1.565  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.650    0.850    0.850  
assign (resid  12 and name  HB#)   (resid  13 and name   HN)   3.400    1.600    1.600  
assign (resid  12 and name  HG#)   (resid  13 and name   HN)   3.655    1.855    1.855  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   0 0 3.5  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   2.755    0.955    0.955  
assign (resid  13 and name  HB#)   (resid  14 and name   HA)   3.810    2.010    2.010  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.255    0.455    0.455  
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ASN   1           H        ASN   1   8.023  -2.354  -5.280
    2    HA   ASN   1           HA       ASN   1   8.439  -3.624  -7.849
    3   1HB   ASN   1          1HB       ASN   1   7.770  -5.689  -6.709
    4   2HB   ASN   1          2HB       ASN   1   9.006  -4.848  -5.780
    5   1HD2  ASN   1          1HD2      ASN   1   6.276  -6.547  -5.465
    6   2HD2  ASN   1          2HD2      ASN   1   5.651  -5.871  -4.003
    7    H    GLY   2           H        GLY   2   5.850  -2.428  -5.857
    8   1HA   GLY   2          1HA       GLY   2   3.691  -3.656  -7.194
    9   2HA   GLY   2          2HA       GLY   2   4.035  -2.096  -7.934
   10    H    VAL   3           H        VAL   3   1.626  -2.698  -6.628
   11    HA   VAL   3           HA       VAL   3   1.786  -0.824  -4.370
   12    HB   VAL   3           HB       VAL   3  -0.684  -1.548  -5.942
   13   1HG1  VAL   3          1HG1      VAL   3  -0.323  -0.175  -3.527
   14   2HG1  VAL   3          2HG1      VAL   3  -0.695   1.051  -4.738
   15   3HG1  VAL   3          3HG1      VAL   3  -1.798  -0.303  -4.486
   16   1HG2  VAL   3          1HG2      VAL   3   1.338  -0.321  -7.135
   17   2HG2  VAL   3          2HG2      VAL   3  -0.337   0.144  -7.434
   18   3HG2  VAL   3          3HG2      VAL   3   0.651   1.079  -6.311
   19    H    CYS   4           H        CYS   4   1.028  -1.385  -2.410
   20    HA   CYS   4           HA       CYS   4  -0.207  -4.039  -2.118
   21   1HB   CYS   4          1HB       CYS   4   1.983  -2.789  -0.456
   22   2HB   CYS   4          2HB       CYS   4   1.015  -4.138   0.120
   23    H    CYS   5           H        CYS   5  -1.949  -4.138  -0.805
   24    HA   CYS   5           HA       CYS   5  -2.855  -1.617   0.375
   25   1HB   CYS   5          1HB       CYS   5  -4.457  -4.109  -0.258
   26   2HB   CYS   5          2HB       CYS   5  -5.100  -2.558   0.271
   27    H    GLY   6           H        GLY   6  -2.862  -1.412   2.492
   28   1HA   GLY   6          1HA       GLY   6  -1.778  -2.461   4.493
   29   2HA   GLY   6          2HA       GLY   6  -2.764  -3.869   4.137
   30    H    TYR   7           H        TYR   7  -2.584  -0.889   5.720
   31    HA   TYR   7           HA       TYR   7  -4.949  -1.337   7.216
   32   1HB   TYR   7          1HB       TYR   7  -4.337   1.080   8.044
   33   2HB   TYR   7          2HB       TYR   7  -3.327  -0.292   8.479
   34    HD1  TYR   7           HD1      TYR   7  -1.089   0.229   8.493
   35    HD2  TYR   7           HD2      TYR   7  -3.551   1.991   5.502
   36    HE1  TYR   7           HE1      TYR   7   0.879   1.357   7.542
   37    HE2  TYR   7           HE2      TYR   7  -1.592   3.121   4.546
   38    HH   TYR   7           HH       TYR   7   1.179   3.605   6.061
   39    H    LYS   8           H        LYS   8  -6.078  -1.403   4.987
   40    HA   LYS   8           HA       LYS   8  -7.656  -0.648   3.572
   41   1HB   LYS   8          1HB       LYS   8  -9.386   0.680   4.427
   42   2HB   LYS   8          2HB       LYS   8  -8.713  -0.118   5.837
   43   1HG   LYS   8          1HG       LYS   8  -7.428   1.960   6.314
   44   2HG   LYS   8          2HG       LYS   8  -8.291   2.736   4.987
   45   1HD   LYS   8          1HD       LYS   8 -10.421   2.275   6.126
   46   2HD   LYS   8          2HD       LYS   8  -9.532   1.542   7.464
   47   1HE   LYS   8          1HE       LYS   8  -9.433   4.412   6.550
   48   2HE   LYS   8          2HE       LYS   8 -10.081   3.795   8.071
   49   1HZ   LYS   8          1HZ       LYS   8  -7.267   3.275   7.402
   50   2HZ   LYS   8          2HZ       LYS   8  -7.702   4.808   7.970
   51   3HZ   LYS   8          3HZ       LYS   8  -7.997   3.439   8.919
   52    H    LEU   9           H        LEU   9  -5.006   0.338   3.280
   53    HA   LEU   9           HA       LEU   9  -5.576   2.500   1.447
   54   1HB   LEU   9          1HB       LEU   9  -5.020   3.678   3.531
   55   2HB   LEU   9          2HB       LEU   9  -3.516   2.785   3.641
   56    HG   LEU   9           HG       LEU   9  -2.769   3.858   1.524
   57   1HD1  LEU   9          1HD1      LEU   9  -5.436   4.491   1.214
   58   2HD1  LEU   9          2HD1      LEU   9  -4.691   6.031   1.647
   59   3HD1  LEU   9          3HD1      LEU   9  -4.094   5.122   0.258
   60   1HD2  LEU   9          1HD2      LEU   9  -3.329   5.293   4.044
   61   2HD2  LEU   9          2HD2      LEU   9  -1.797   4.988   3.224
   62   3HD2  LEU   9          3HD2      LEU   9  -2.858   6.281   2.661
   63    H    CYS  10           H        CYS  10  -4.633   1.959  -0.390
   64    HA   CYS  10           HA       CYS  10  -2.505  -0.019  -0.372
   65   1HB   CYS  10          1HB       CYS  10  -3.847   1.252  -2.765
   66   2HB   CYS  10          2HB       CYS  10  -2.897  -0.228  -2.737
   67    H    HIS  11           H        HIS  11  -0.439   0.380  -0.833
   68    HA   HIS  11           HA       HIS  11   0.376   2.837  -2.136
   69   1HB   HIS  11          1HB       HIS  11   1.939   3.489  -0.337
   70   2HB   HIS  11          2HB       HIS  11   0.269   3.567   0.200
   71    HD1  HIS  11           HD1      HIS  11  -0.504   1.328   1.633
   72    HD2  HIS  11           HD2      HIS  11   3.566   2.142   1.356
   73    HE1  HIS  11           HE1      HIS  11   0.573   0.023   3.491
   74    H    CYS  13           H        CYS  13   4.458  -1.428  -3.050
   75    HA   CYS  13           HA       CYS  13   4.978  -1.678  -0.264
   76   1HB   CYS  13          1HB       CYS  13   6.103  -3.710  -2.093
   77   2HB   CYS  13          2HB       CYS  13   5.074  -3.913  -0.678
   78    H    ALA  14           H        ALA  14   7.109  -1.838  -3.101
   79    HA   ALA  14           HA       ALA  14   9.204  -0.409  -1.805
   80   1HB   ALA  14          1HB       ALA  14  10.571  -2.791  -2.410
   81   2HB   ALA  14          2HB       ALA  14   9.161  -3.256  -1.458
   82   3HB   ALA  14          3HB       ALA  14  10.304  -2.075  -0.821
   83    H    GLY  15           H        GLY  15   7.827  -0.012  -4.155
   84   1HA   GLY  15          1HA       GLY  15  10.000   0.117  -6.035
   85   2HA   GLY  15          2HA       GLY  15   8.377   0.747  -6.272

  No H/Q in entry =          85
  Start of MODEL    2
    1    H    ASN   1           H        ASN   1   7.919  -3.999  -5.760
    2    HA   ASN   1           HA       ASN   1   7.134  -6.783  -5.883
    3   1HB   ASN   1          1HB       ASN   1   7.295  -6.401  -3.467
    4   2HB   ASN   1          2HB       ASN   1   6.228  -5.007  -3.605
    5   1HD2  ASN   1          1HD2      ASN   1   4.196  -5.378  -3.102
    6   2HD2  ASN   1          2HD2      ASN   1   3.378  -6.894  -3.212
    7    H    GLY   2           H        GLY   2   5.902  -3.472  -5.408
    8   1HA   GLY   2          1HA       GLY   2   3.687  -4.143  -7.235
    9   2HA   GLY   2          2HA       GLY   2   4.637  -2.690  -7.490
   10    H    VAL   3           H        VAL   3   1.777  -3.223  -6.782
   11    HA   VAL   3           HA       VAL   3   1.600  -1.154  -4.745
   12    HB   VAL   3           HB       VAL   3  -0.694  -2.506  -6.161
   13   1HG1  VAL   3          1HG1      VAL   3  -0.756  -0.864  -4.008
   14   2HG1  VAL   3          2HG1      VAL   3  -0.896   0.299  -5.327
   15   3HG1  VAL   3          3HG1      VAL   3  -2.061  -1.017  -5.185
   16   1HG2  VAL   3          1HG2      VAL   3   1.268  -1.041  -7.419
   17   2HG2  VAL   3          2HG2      VAL   3  -0.366  -1.311  -8.022
   18   3HG2  VAL   3          3HG2      VAL   3   0.008   0.152  -7.113
   19    H    CYS   4           H        CYS   4   0.864  -1.469  -2.704
   20    HA   CYS   4           HA       CYS   4  -0.111  -4.142  -1.986
   21   1HB   CYS   4          1HB       CYS   4   1.286  -3.883   0.154
   22   2HB   CYS   4          2HB       CYS   4   2.146  -4.296  -1.324
   23    H    CYS   5           H        CYS   5  -1.996  -3.980  -0.986
   24    HA   CYS   5           HA       CYS   5  -2.700  -1.435   0.280
   25   1HB   CYS   5          1HB       CYS   5  -4.581  -3.671  -0.498
   26   2HB   CYS   5          2HB       CYS   5  -4.997  -2.009  -0.095
   27    H    GLY   6           H        GLY   6  -2.784  -1.341   2.403
   28   1HA   GLY   6          1HA       GLY   6  -2.016  -2.484   4.440
   29   2HA   GLY   6          2HA       GLY   6  -2.918  -3.889   3.901
   30    H    TYR   7           H        TYR   7  -3.015  -0.934   5.584
   31    HA   TYR   7           HA       TYR   7  -5.454  -1.551   6.885
   32   1HB   TYR   7          1HB       TYR   7  -5.050   0.902   7.772
   33   2HB   TYR   7          2HB       TYR   7  -4.042  -0.433   8.312
   34    HD1  TYR   7           HD1      TYR   7  -1.838   0.159   8.561
   35    HD2  TYR   7           HD2      TYR   7  -4.032   1.864   5.339
   36    HE1  TYR   7           HE1      TYR   7   0.175   1.368   7.836
   37    HE2  TYR   7           HE2      TYR   7  -2.024   3.075   4.605
   38    HH   TYR   7           HH       TYR   7   0.474   3.724   6.344
   39    H    LYS   8           H        LYS   8  -6.504  -1.685   4.713
   40    HA   LYS   8           HA       LYS   8  -7.930  -0.992   3.108
   41   1HB   LYS   8          1HB       LYS   8  -9.744   0.518   3.783
   42   2HB   LYS   8          2HB       LYS   8  -9.443  -0.729   4.977
   43   1HG   LYS   8          1HG       LYS   8  -8.603   0.771   6.522
   44   2HG   LYS   8          2HG       LYS   8  -8.214   1.975   5.294
   45   1HD   LYS   8          1HD       LYS   8 -11.067   1.231   5.625
   46   2HD   LYS   8          2HD       LYS   8 -10.326   2.199   6.901
   47   1HE   LYS   8          1HE       LYS   8 -11.399   3.608   5.209
   48   2HE   LYS   8          2HE       LYS   8  -9.658   3.876   5.269
   49   1HZ   LYS   8          1HZ       LYS   8 -10.983   2.104   3.292
   50   2HZ   LYS   8          2HZ       LYS   8 -10.602   3.723   2.994
   51   3HZ   LYS   8          3HZ       LYS   8  -9.364   2.605   3.292
   52    H    LEU   9           H        LEU   9  -5.396   0.138   2.991
   53    HA   LEU   9           HA       LEU   9  -5.933   2.353   1.216
   54   1HB   LEU   9          1HB       LEU   9  -5.541   3.451   3.394
   55   2HB   LEU   9          2HB       LEU   9  -4.010   2.610   3.538
   56    HG   LEU   9           HG       LEU   9  -3.202   3.812   1.515
   57   1HD1  LEU   9          1HD1      LEU   9  -5.956   4.525   1.321
   58   2HD1  LEU   9          2HD1      LEU   9  -4.992   5.992   1.488
   59   3HD1  LEU   9          3HD1      LEU   9  -4.644   4.849   0.191
   60   1HD2  LEU   9          1HD2      LEU   9  -3.116   4.611   4.033
   61   2HD2  LEU   9          2HD2      LEU   9  -2.507   5.620   2.721
   62   3HD2  LEU   9          3HD2      LEU   9  -4.107   5.925   3.398
   63    H    CYS  10           H        CYS  10  -4.628   2.188  -0.525
   64    HA   CYS  10           HA       CYS  10  -2.664   0.051  -0.482
   65   1HB   CYS  10          1HB       CYS  10  -3.672   1.699  -2.809
   66   2HB   CYS  10          2HB       CYS  10  -2.654   0.267  -2.917
   67    H    HIS  11           H        HIS  11  -0.557   0.288  -0.644
   68    HA   HIS  11           HA       HIS  11   0.567   2.985  -1.022
   69   1HB   HIS  11          1HB       HIS  11   0.525   2.252   1.389
   70   2HB   HIS  11          2HB       HIS  11   1.533   0.886   0.945
   71    HD1  HIS  11           HD1      HIS  11   3.975   1.657  -0.133
   72    HD2  HIS  11           HD2      HIS  11   1.905   4.422   2.189
   73    HE1  HIS  11           HE1      HIS  11   5.680   3.366   0.564
   74    H    CYS  13           H        CYS  13   4.356  -0.974  -3.593
   75    HA   CYS  13           HA       CYS  13   6.310  -0.993  -1.393
   76   1HB   CYS  13          1HB       CYS  13   4.616  -3.130  -2.641
   77   2HB   CYS  13          2HB       CYS  13   6.144  -3.577  -1.893
   78    H    ALA  14           H        ALA  14   8.362  -0.850  -1.974
   79    HA   ALA  14           HA       ALA  14   9.215  -0.852  -4.660
   80   1HB   ALA  14          1HB       ALA  14  10.288  -0.121  -2.171
   81   2HB   ALA  14          2HB       ALA  14  10.970   0.170  -3.771
   82   3HB   ALA  14          3HB       ALA  14  11.411  -1.285  -2.875
   83    H    GLY  15           H        GLY  15   9.912  -2.417  -5.951
   84   1HA   GLY  15          1HA       GLY  15  11.214  -4.770  -5.038
   85   2HA   GLY  15          2HA       GLY  15  10.716  -4.440  -6.686

  No H/Q in entry =          85
  Start of MODEL    3
    1    H    ASN   1           H        ASN   1   8.034  -3.813  -5.671
    2    HA   ASN   1           HA       ASN   1   7.253  -6.593  -5.437
    3   1HB   ASN   1          1HB       ASN   1   7.617  -5.766  -3.092
    4   2HB   ASN   1          2HB       ASN   1   6.339  -4.590  -3.365
    5   1HD2  ASN   1          1HD2      ASN   1   5.554  -7.359  -5.041
    6   2HD2  ASN   1          2HD2      ASN   1   4.544  -8.102  -3.854
    7    H    GLY   2           H        GLY   2   6.007  -3.254  -5.237
    8   1HA   GLY   2          1HA       GLY   2   3.765  -4.118  -6.956
    9   2HA   GLY   2          2HA       GLY   2   4.644  -2.635  -7.290
   10    H    VAL   3           H        VAL   3   1.812  -3.144  -6.589
   11    HA   VAL   3           HA       VAL   3   1.646  -1.098  -4.531
   12    HB   VAL   3           HB       VAL   3   0.267  -0.683  -6.427
   13   1HG1  VAL   3          1HG1      VAL   3  -0.965  -3.390  -5.949
   14   2HG1  VAL   3          2HG1      VAL   3  -1.567  -2.197  -7.100
   15   3HG1  VAL   3          3HG1      VAL   3   0.030  -2.910  -7.324
   16   1HG2  VAL   3          1HG2      VAL   3  -1.212  -1.456  -3.947
   17   2HG2  VAL   3          2HG2      VAL   3  -0.796   0.151  -4.542
   18   3HG2  VAL   3          3HG2      VAL   3  -2.061  -0.784  -5.339
   19    H    CYS   4           H        CYS   4   0.978  -1.411  -2.529
   20    HA   CYS   4           HA       CYS   4   0.033  -4.110  -1.794
   21   1HB   CYS   4          1HB       CYS   4   1.658  -2.293  -0.016
   22   2HB   CYS   4          2HB       CYS   4   1.263  -3.984   0.254
   23    H    CYS   5           H        CYS   5  -1.971  -4.086  -1.017
   24    HA   CYS   5           HA       CYS   5  -3.001  -1.608   0.161
   25   1HB   CYS   5          1HB       CYS   5  -4.519  -3.987  -0.934
   26   2HB   CYS   5          2HB       CYS   5  -5.236  -2.500  -0.321
   27    H    GLY   6           H        GLY   6  -3.165  -1.542   2.280
   28   1HA   GLY   6          1HA       GLY   6  -2.609  -2.553   4.394
   29   2HA   GLY   6          2HA       GLY   6  -3.189  -4.087   3.767
   30    H    TYR   7           H        TYR   7  -3.869  -1.642   5.808
   31    HA   TYR   7           HA       TYR   7  -6.494  -2.554   6.380
   32   1HB   TYR   7          1HB       TYR   7  -6.396  -0.485   7.976
   33   2HB   TYR   7          2HB       TYR   7  -5.374  -1.882   8.285
   34    HD1  TYR   7           HD1      TYR   7  -3.293  -1.312   9.064
   35    HD2  TYR   7           HD2      TYR   7  -5.102   1.191   6.137
   36    HE1  TYR   7           HE1      TYR   7  -1.302   0.131   9.073
   37    HE2  TYR   7           HE2      TYR   7  -3.116   2.637   6.138
   38    HH   TYR   7           HH       TYR   7  -1.012   2.877   8.355
   39    H    LYS   8           H        LYS   8  -6.906  -1.963   3.943
   40    HA   LYS   8           HA       LYS   8  -8.304  -0.895   2.510
   41   1HB   LYS   8          1HB       LYS   8  -9.075   0.766   4.921
   42   2HB   LYS   8          2HB       LYS   8  -9.895   0.806   3.367
   43   1HG   LYS   8          1HG       LYS   8  -9.686  -1.587   5.182
   44   2HG   LYS   8          2HG       LYS   8 -11.102  -0.555   4.986
   45   1HD   LYS   8          1HD       LYS   8 -11.241  -1.188   2.629
   46   2HD   LYS   8          2HD       LYS   8  -9.815  -2.210   2.816
   47   1HE   LYS   8          1HE       LYS   8 -12.440  -2.559   4.259
   48   2HE   LYS   8          2HE       LYS   8 -11.883  -3.519   2.890
   49   1HZ   LYS   8          1HZ       LYS   8 -10.315  -3.332   5.391
   50   2HZ   LYS   8          2HZ       LYS   8 -11.548  -4.475   5.203
   51   3HZ   LYS   8          3HZ       LYS   8 -10.211  -4.496   4.168
   52    H    LEU   9           H        LEU   9  -5.606  -0.174   2.804
   53    HA   LEU   9           HA       LEU   9  -5.667   2.391   1.467
   54   1HB   LEU   9          1HB       LEU   9  -5.326   2.984   3.835
   55   2HB   LEU   9          2HB       LEU   9  -3.943   1.910   3.904
   56    HG   LEU   9           HG       LEU   9  -2.796   3.332   2.223
   57   1HD1  LEU   9          1HD1      LEU   9  -5.114   4.250   1.437
   58   2HD1  LEU   9          2HD1      LEU   9  -4.828   5.459   2.687
   59   3HD1  LEU   9          3HD1      LEU   9  -3.677   5.269   1.365
   60   1HD2  LEU   9          1HD2      LEU   9  -2.575   3.610   4.721
   61   2HD2  LEU   9          2HD2      LEU   9  -2.150   5.019   3.748
   62   3HD2  LEU   9          3HD2      LEU   9  -3.702   4.960   4.582
   63    H    CYS  10           H        CYS  10  -4.479   2.167  -0.296
   64    HA   CYS  10           HA       CYS  10  -2.526  -0.002  -0.403
   65   1HB   CYS  10          1HB       CYS  10  -3.628   1.657  -2.677
   66   2HB   CYS  10          2HB       CYS  10  -2.674   0.186  -2.813
   67    H    HIS  11           H        HIS  11  -0.407   0.305  -0.793
   68    HA   HIS  11           HA       HIS  11   0.570   2.981  -1.422
   69   1HB   HIS  11          1HB       HIS  11   2.247   2.907   0.392
   70   2HB   HIS  11          2HB       HIS  11   0.606   2.948   1.018
   71    HD1  HIS  11           HD1      HIS  11   3.260   0.289   0.282
   72    HD2  HIS  11           HD2      HIS  11   0.186   1.124   2.958
   73    HE1  HIS  11           HE1      HIS  11   3.341  -1.544   1.999
   74    H    CYS  13           H        CYS  13   4.750  -0.869  -3.713
   75    HA   CYS  13           HA       CYS  13   6.642  -0.525  -1.478
   76   1HB   CYS  13          1HB       CYS  13   5.483  -3.103  -2.571
   77   2HB   CYS  13          2HB       CYS  13   6.617  -2.969  -1.235
   78    H    ALA  14           H        ALA  14   8.726  -0.510  -2.044
   79    HA   ALA  14           HA       ALA  14   9.542  -0.593  -4.735
   80   1HB   ALA  14          1HB       ALA  14  10.628   0.384  -2.461
   81   2HB   ALA  14          2HB       ALA  14  11.512   0.179  -3.973
   82   3HB   ALA  14          3HB       ALA  14  11.627  -1.049  -2.712
   83    H    GLY  15           H        GLY  15  10.013  -2.235  -6.014
   84   1HA   GLY  15          1HA       GLY  15  11.391  -4.562  -5.156
   85   2HA   GLY  15          2HA       GLY  15  10.704  -4.299  -6.746

  No H/Q in entry =          85
  Start of MODEL    4
    1    H    ASN   1           H        ASN   1   7.890  -3.835  -5.169
    2    HA   ASN   1           HA       ASN   1   7.004  -6.638  -5.143
    3   1HB   ASN   1          1HB       ASN   1   6.366  -4.542  -3.061
    4   2HB   ASN   1          2HB       ASN   1   5.493  -6.060  -3.212
    5   1HD2  ASN   1          1HD2      ASN   1   6.220  -7.729  -2.096
    6   2HD2  ASN   1          2HD2      ASN   1   7.778  -7.850  -1.366
    7    H    GLY   2           H        GLY   2   6.054  -3.239  -5.356
    8   1HA   GLY   2          1HA       GLY   2   3.719  -4.113  -6.943
    9   2HA   GLY   2          2HA       GLY   2   4.620  -2.644  -7.280
   10    H    VAL   3           H        VAL   3   1.772  -3.154  -6.572
   11    HA   VAL   3           HA       VAL   3   1.586  -1.040  -4.575
   12    HB   VAL   3           HB       VAL   3  -0.735  -2.380  -5.938
   13   1HG1  VAL   3          1HG1      VAL   3  -0.330   0.130  -4.385
   14   2HG1  VAL   3          2HG1      VAL   3  -1.599   0.062  -5.608
   15   3HG1  VAL   3          3HG1      VAL   3  -1.611  -1.076  -4.263
   16   1HG2  VAL   3          1HG2      VAL   3   0.861  -1.585  -7.648
   17   2HG2  VAL   3          2HG2      VAL   3  -0.662  -0.696  -7.675
   18   3HG2  VAL   3          3HG2      VAL   3   0.771   0.030  -6.946
   19    H    CYS   4           H        CYS   4   1.043  -1.381  -2.519
   20    HA   CYS   4           HA       CYS   4   0.124  -4.079  -1.758
   21   1HB   CYS   4          1HB       CYS   4   1.703  -2.167  -0.029
   22   2HB   CYS   4          2HB       CYS   4   1.315  -3.844   0.325
   23    H    CYS   5           H        CYS   5  -1.877  -4.114  -0.982
   24    HA   CYS   5           HA       CYS   5  -2.998  -1.663   0.171
   25   1HB   CYS   5          1HB       CYS   5  -4.430  -4.081  -0.959
   26   2HB   CYS   5          2HB       CYS   5  -5.203  -2.623  -0.336
   27    H    GLY   6           H        GLY   6  -3.509  -1.634   2.259
   28   1HA   GLY   6          1HA       GLY   6  -2.647  -2.966   4.282
   29   2HA   GLY   6          2HA       GLY   6  -3.714  -4.220   3.671
   30    H    TYR   7           H        TYR   7  -3.460  -1.344   5.474
   31    HA   TYR   7           HA       TYR   7  -5.977  -1.691   6.725
   32   1HB   TYR   7          1HB       TYR   7  -5.274   0.664   7.700
   33   2HB   TYR   7          2HB       TYR   7  -4.441  -0.806   8.191
   34    HD1  TYR   7           HD1      TYR   7  -4.155   1.594   5.317
   35    HD2  TYR   7           HD2      TYR   7  -2.171  -0.532   8.423
   36    HE1  TYR   7           HE1      TYR   7  -2.009   2.552   4.593
   37    HE2  TYR   7           HE2      TYR   7  -0.021   0.423   7.709
   38    HH   TYR   7           HH       TYR   7   0.636   2.697   6.362
   39    H    LYS   8           H        LYS   8  -6.938  -1.593   4.448
   40    HA   LYS   8           HA       LYS   8  -8.263  -0.651   2.883
   41   1HB   LYS   8          1HB       LYS   8  -9.988   0.812   3.616
   42   2HB   LYS   8          2HB       LYS   8  -9.631  -0.266   4.954
   43   1HG   LYS   8          1HG       LYS   8  -8.513   1.441   6.149
   44   2HG   LYS   8          2HG       LYS   8  -8.500   2.510   4.742
   45   1HD   LYS   8          1HD       LYS   8 -11.002   2.513   4.836
   46   2HD   LYS   8          2HD       LYS   8 -10.884   1.643   6.369
   47   1HE   LYS   8          1HE       LYS   8 -11.153   4.082   6.666
   48   2HE   LYS   8          2HE       LYS   8  -9.656   3.464   7.362
   49   1HZ   LYS   8          1HZ       LYS   8  -8.823   4.117   4.925
   50   2HZ   LYS   8          2HZ       LYS   8 -10.052   5.264   5.115
   51   3HZ   LYS   8          3HZ       LYS   8  -8.785   5.192   6.230
   52    H    LEU   9           H        LEU   9  -5.586   0.182   2.929
   53    HA   LEU   9           HA       LEU   9  -5.796   2.525   1.254
   54   1HB   LEU   9          1HB       LEU   9  -5.406   3.472   3.495
   55   2HB   LEU   9          2HB       LEU   9  -3.988   2.459   3.680
   56    HG   LEU   9           HG       LEU   9  -2.930   3.655   1.775
   57   1HD1  LEU   9          1HD1      LEU   9  -5.563   4.665   1.432
   58   2HD1  LEU   9          2HD1      LEU   9  -4.489   6.019   1.785
   59   3HD1  LEU   9          3HD1      LEU   9  -4.136   4.941   0.434
   60   1HD2  LEU   9          1HD2      LEU   9  -2.954   4.324   4.346
   61   2HD2  LEU   9          2HD2      LEU   9  -2.099   5.277   3.133
   62   3HD2  LEU   9          3HD2      LEU   9  -3.694   5.784   3.690
   63    H    CYS  10           H        CYS  10  -4.456   2.295  -0.440
   64    HA   CYS  10           HA       CYS  10  -2.571   0.058  -0.340
   65   1HB   CYS  10          1HB       CYS  10  -3.620   1.554  -2.759
   66   2HB   CYS  10          2HB       CYS  10  -2.650   0.085  -2.777
   67    H    HIS  11           H        HIS  11  -0.427   0.329  -0.642
   68    HA   HIS  11           HA       HIS  11   0.568   2.964  -1.436
   69   1HB   HIS  11          1HB       HIS  11   2.264   2.921   0.381
   70   2HB   HIS  11          2HB       HIS  11   0.620   3.065   0.983
   71    HD1  HIS  11           HD1      HIS  11   3.174   0.270   0.440
   72    HD2  HIS  11           HD2      HIS  11   0.096   1.371   3.014
   73    HE1  HIS  11           HE1      HIS  11   3.160  -1.464   2.260
   74    H    CYS  13           H        CYS  13   4.816  -0.897  -3.738
   75    HA   CYS  13           HA       CYS  13   6.730  -0.473  -1.538
   76   1HB   CYS  13          1HB       CYS  13   5.581  -3.120  -2.463
   77   2HB   CYS  13          2HB       CYS  13   6.697  -2.876  -1.126
   78    H    ALA  14           H        ALA  14   8.807  -0.518  -2.179
   79    HA   ALA  14           HA       ALA  14   9.514  -0.715  -4.891
   80   1HB   ALA  14          1HB       ALA  14  10.735   0.188  -2.586
   81   2HB   ALA  14          2HB       ALA  14  11.446   0.154  -4.200
   82   3HB   ALA  14          3HB       ALA  14  11.734  -1.178  -3.081
   83    H    GLY  15           H        GLY  15   9.786  -2.426  -6.124
   84   1HA   GLY  15          1HA       GLY  15  11.145  -4.779  -5.208
   85   2HA   GLY  15          2HA       GLY  15  10.501  -4.507  -6.817

  No H/Q in entry =          85
  Start of MODEL    5
    1    H    ASN   1           H        ASN   1   7.984  -1.408  -5.888
    2    HA   ASN   1           HA       ASN   1   8.130  -2.311  -8.628
    3   1HB   ASN   1          1HB       ASN   1   8.595  -4.505  -7.692
    4   2HB   ASN   1          2HB       ASN   1   9.591  -3.301  -6.881
    5   1HD2  ASN   1          1HD2      ASN   1   7.914  -5.984  -6.336
    6   2HD2  ASN   1          2HD2      ASN   1   7.406  -5.723  -4.705
    7    H    GLY   2           H        GLY   2   5.824  -2.105  -6.062
    8   1HA   GLY   2          1HA       GLY   2   4.013  -4.081  -6.676
    9   2HA   GLY   2          2HA       GLY   2   3.668  -2.766  -7.794
   10    H    VAL   3           H        VAL   3   1.602  -2.627  -6.742
   11    HA   VAL   3           HA       VAL   3   1.689  -0.782  -4.500
   12    HB   VAL   3           HB       VAL   3  -0.805  -1.781  -5.861
   13   1HG1  VAL   3          1HG1      VAL   3  -0.354  -0.052  -3.725
   14   2HG1  VAL   3          2HG1      VAL   3  -0.754   0.993  -5.089
   15   3HG1  VAL   3          3HG1      VAL   3  -1.864  -0.289  -4.607
   16   1HG2  VAL   3          1HG2      VAL   3   0.711  -0.992  -7.613
   17   2HG2  VAL   3          2HG2      VAL   3  -0.661   0.097  -7.414
   18   3HG2  VAL   3          3HG2      VAL   3   0.913   0.534  -6.752
   19    H    CYS   4           H        CYS   4   1.119  -1.284  -2.473
   20    HA   CYS   4           HA       CYS   4   0.055  -3.983  -1.973
   21   1HB   CYS   4          1HB       CYS   4   1.941  -2.415  -0.199
   22   2HB   CYS   4          2HB       CYS   4   1.404  -4.074   0.043
   23    H    CYS   5           H        CYS   5  -1.834  -4.017  -0.905
   24    HA   CYS   5           HA       CYS   5  -2.770  -1.532   0.324
   25   1HB   CYS   5          1HB       CYS   5  -4.412  -3.964  -0.410
   26   2HB   CYS   5          2HB       CYS   5  -5.006  -2.359   0.004
   27    H    GLY   6           H        GLY   6  -3.022  -1.425   2.463
   28   1HA   GLY   6          1HA       GLY   6  -1.931  -2.901   4.349
   29   2HA   GLY   6          2HA       GLY   6  -3.302  -3.927   3.977
   30    H    TYR   7           H        TYR   7  -2.461  -0.656   5.035
   31    HA   TYR   7           HA       TYR   7  -4.411  -0.762   7.113
   32   1HB   TYR   7          1HB       TYR   7  -3.662   1.703   7.412
   33   2HB   TYR   7          2HB       TYR   7  -2.526   0.408   7.757
   34    HD1  TYR   7           HD1      TYR   7  -0.383   0.964   7.177
   35    HD2  TYR   7           HD2      TYR   7  -3.549   2.256   4.646
   36    HE1  TYR   7           HE1      TYR   7   1.256   1.996   5.664
   37    HE2  TYR   7           HE2      TYR   7  -1.916   3.287   3.124
   38    HH   TYR   7           HH       TYR   7   0.848   4.190   3.744
   39    H    LYS   8           H        LYS   8  -5.946  -1.150   5.039
   40    HA   LYS   8           HA       LYS   8  -7.870  -0.512   4.011
   41   1HB   LYS   8          1HB       LYS   8  -8.285   0.423   6.346
   42   2HB   LYS   8          2HB       LYS   8  -7.801   1.986   5.706
   43   1HG   LYS   8          1HG       LYS   8  -9.629   1.791   4.027
   44   2HG   LYS   8          2HG       LYS   8 -10.156   0.322   4.849
   45   1HD   LYS   8          1HD       LYS   8  -9.956   3.065   6.091
   46   2HD   LYS   8          2HD       LYS   8 -11.447   2.275   5.573
   47   1HE   LYS   8          1HE       LYS   8 -11.086   0.499   7.198
   48   2HE   LYS   8          2HE       LYS   8  -9.566   1.242   7.695
   49   1HZ   LYS   8          1HZ       LYS   8 -10.829   3.198   8.403
   50   2HZ   LYS   8          2HZ       LYS   8 -12.273   2.427   7.987
   51   3HZ   LYS   8          3HZ       LYS   8 -11.311   1.807   9.235
   52    H    LEU   9           H        LEU   9  -5.107   0.616   3.316
   53    HA   LEU   9           HA       LEU   9  -6.023   2.239   1.107
   54   1HB   LEU   9          1HB       LEU   9  -5.576   3.880   2.901
   55   2HB   LEU   9          2HB       LEU   9  -3.948   3.250   3.060
   56    HG   LEU   9           HG       LEU   9  -3.490   3.971   0.719
   57   1HD1  LEU   9          1HD1      LEU   9  -6.300   4.326   0.679
   58   2HD1  LEU   9          2HD1      LEU   9  -5.547   5.903   0.443
   59   3HD1  LEU   9          3HD1      LEU   9  -5.143   4.563  -0.630
   60   1HD2  LEU   9          1HD2      LEU   9  -2.994   5.345   2.778
   61   2HD2  LEU   9          2HD2      LEU   9  -3.119   6.240   1.264
   62   3HD2  LEU   9          3HD2      LEU   9  -4.457   6.260   2.411
   63    H    CYS  10           H        CYS  10  -4.662   2.088  -0.650
   64    HA   CYS  10           HA       CYS  10  -2.643   0.006  -0.428
   65   1HB   CYS  10          1HB       CYS  10  -3.726   1.372  -2.903
   66   2HB   CYS  10          2HB       CYS  10  -2.710  -0.064  -2.864
   67    H    HIS  11           H        HIS  11  -0.528   0.298  -0.761
   68    HA   HIS  11           HA       HIS  11   0.511   2.853  -1.710
   69   1HB   HIS  11          1HB       HIS  11   0.324   3.201   0.697
   70   2HB   HIS  11          2HB       HIS  11   1.124   1.668   1.013
   71    HD1  HIS  11           HD1      HIS  11   1.979   4.946  -0.745
   72    HD2  HIS  11           HD2      HIS  11   3.742   1.979   1.571
   73    HE1  HIS  11           HE1      HIS  11   4.354   5.692  -0.390
   74    H    CYS  13           H        CYS  13   4.555  -1.503  -2.813
   75    HA   CYS  13           HA       CYS  13   5.636  -1.124  -0.231
   76   1HB   CYS  13          1HB       CYS  13   5.895  -3.274  -2.300
   77   2HB   CYS  13          2HB       CYS  13   6.923  -3.304  -0.872
   78    H    ALA  14           H        ALA  14   7.158  -1.189  -3.430
   79    HA   ALA  14           HA       ALA  14   9.226   0.580  -2.511
   80   1HB   ALA  14          1HB       ALA  14  11.070  -0.790  -2.574
   81   2HB   ALA  14          2HB       ALA  14   9.863  -1.905  -1.935
   82   3HB   ALA  14          3HB       ALA  14  10.299  -1.960  -3.643
   83    H    GLY  15           H        GLY  15   7.213   0.739  -4.449
   84   1HA   GLY  15          1HA       GLY  15   8.745   1.612  -6.696
   85   2HA   GLY  15          2HA       GLY  15   6.997   1.678  -6.543

  No H/Q in entry =          85
  Start of MODEL    6
    1    H    ASN   1           H        ASN   1   8.144  -3.598  -5.770
    2    HA   ASN   1           HA       ASN   1   7.597  -6.437  -5.628
    3   1HB   ASN   1          1HB       ASN   1   7.821  -5.828  -3.258
    4   2HB   ASN   1          2HB       ASN   1   6.617  -4.559  -3.466
    5   1HD2  ASN   1          1HD2      ASN   1   4.690  -5.097  -2.732
    6   2HD2  ASN   1          2HD2      ASN   1   4.011  -6.683  -2.725
    7    H    GLY   2           H        GLY   2   6.018  -3.260  -5.250
    8   1HA   GLY   2          1HA       GLY   2   3.834  -4.243  -6.958
    9   2HA   GLY   2          2HA       GLY   2   4.650  -2.746  -7.379
   10    H    VAL   3           H        VAL   3   1.860  -3.276  -6.615
   11    HA   VAL   3           HA       VAL   3   1.679  -1.176  -4.613
   12    HB   VAL   3           HB       VAL   3   0.268  -0.862  -6.518
   13   1HG1  VAL   3          1HG1      VAL   3  -0.374  -3.696  -6.117
   14   2HG1  VAL   3          2HG1      VAL   3  -1.744  -2.676  -6.554
   15   3HG1  VAL   3          3HG1      VAL   3  -0.325  -2.741  -7.599
   16   1HG2  VAL   3          1HG2      VAL   3  -0.678  -0.905  -3.883
   17   2HG2  VAL   3          2HG2      VAL   3  -1.299   0.038  -5.239
   18   3HG2  VAL   3          3HG2      VAL   3  -1.979  -1.550  -4.884
   19    H    CYS   4           H        CYS   4   0.948  -1.418  -2.605
   20    HA   CYS   4           HA       CYS   4   0.106  -4.117  -1.763
   21   1HB   CYS   4          1HB       CYS   4   1.714  -2.161  -0.110
   22   2HB   CYS   4          2HB       CYS   4   1.301  -3.816   0.319
   23    H    CYS   5           H        CYS   5  -1.897  -4.122  -0.941
   24    HA   CYS   5           HA       CYS   5  -2.951  -1.601   0.135
   25   1HB   CYS   5          1HB       CYS   5  -4.472  -3.939  -1.038
   26   2HB   CYS   5          2HB       CYS   5  -5.187  -2.451  -0.426
   27    H    GLY   6           H        GLY   6  -3.281  -1.520   2.228
   28   1HA   GLY   6          1HA       GLY   6  -2.842  -2.497   4.382
   29   2HA   GLY   6          2HA       GLY   6  -3.345  -4.050   3.737
   30    H    TYR   7           H        TYR   7  -4.200  -1.667   5.755
   31    HA   TYR   7           HA       TYR   7  -6.851  -2.618   6.108
   32   1HB   TYR   7          1HB       TYR   7  -6.895  -0.629   7.792
   33   2HB   TYR   7          2HB       TYR   7  -5.862  -2.015   8.111
   34    HD1  TYR   7           HD1      TYR   7  -5.495   1.136   6.094
   35    HD2  TYR   7           HD2      TYR   7  -3.877  -1.419   9.086
   36    HE1  TYR   7           HE1      TYR   7  -3.549   2.621   6.301
   37    HE2  TYR   7           HE2      TYR   7  -1.926   0.062   9.302
   38    HH   TYR   7           HH       TYR   7  -1.752   3.009   8.489
   39    H    LYS   8           H        LYS   8  -7.120  -1.951   3.686
   40    HA   LYS   8           HA       LYS   8  -8.447  -0.846   2.209
   41   1HB   LYS   8          1HB       LYS   8  -9.340   0.760   4.612
   42   2HB   LYS   8          2HB       LYS   8 -10.079   0.837   3.019
   43   1HG   LYS   8          1HG       LYS   8  -9.966  -1.597   4.790
   44   2HG   LYS   8          2HG       LYS   8 -11.371  -0.556   4.544
   45   1HD   LYS   8          1HD       LYS   8 -11.381  -1.137   2.165
   46   2HD   LYS   8          2HD       LYS   8  -9.974  -2.172   2.410
   47   1HE   LYS   8          1HE       LYS   8 -12.678  -2.531   3.698
   48   2HE   LYS   8          2HE       LYS   8 -12.048  -3.470   2.345
   49   1HZ   LYS   8          1HZ       LYS   8 -10.674  -3.338   4.965
   50   2HZ   LYS   8          2HZ       LYS   8 -11.845  -4.506   4.615
   51   3HZ   LYS   8          3HZ       LYS   8 -10.419  -4.442   3.711
   52    H    LEU   9           H        LEU   9  -5.777  -0.153   2.623
   53    HA   LEU   9           HA       LEU   9  -5.755   2.455   1.369
   54   1HB   LEU   9          1HB       LEU   9  -5.491   2.960   3.771
   55   2HB   LEU   9          2HB       LEU   9  -4.125   1.865   3.848
   56    HG   LEU   9           HG       LEU   9  -2.902   3.329   2.260
   57   1HD1  LEU   9          1HD1      LEU   9  -5.423   4.932   2.473
   58   2HD1  LEU   9          2HD1      LEU   9  -3.880   5.700   2.099
   59   3HD1  LEU   9          3HD1      LEU   9  -4.527   4.453   1.032
   60   1HD2  LEU   9          1HD2      LEU   9  -2.855   3.515   4.815
   61   2HD2  LEU   9          2HD2      LEU   9  -2.229   4.871   3.876
   62   3HD2  LEU   9          3HD2      LEU   9  -3.837   4.963   4.593
   63    H    CYS  10           H        CYS  10  -4.439   2.312  -0.335
   64    HA   CYS  10           HA       CYS  10  -2.550   0.079  -0.401
   65   1HB   CYS  10          1HB       CYS  10  -3.589   1.748  -2.697
   66   2HB   CYS  10          2HB       CYS  10  -2.597   0.302  -2.826
   67    H    HIS  11           H        HIS  11  -0.445   0.331  -0.621
   68    HA   HIS  11           HA       HIS  11   0.660   3.005  -1.134
   69   1HB   HIS  11          1HB       HIS  11   0.717   2.701   1.287
   70   2HB   HIS  11          2HB       HIS  11   1.459   1.116   1.101
   71    HD1  HIS  11           HD1      HIS  11   2.320   4.712   0.141
   72    HD2  HIS  11           HD2      HIS  11   4.132   1.204   1.443
   73    HE1  HIS  11           HE1      HIS  11   4.755   5.273   0.413
   74    H    CYS  13           H        CYS  13   4.491  -0.940  -3.548
   75    HA   CYS  13           HA       CYS  13   6.537  -0.429  -1.501
   76   1HB   CYS  13          1HB       CYS  13   5.483  -3.053  -2.591
   77   2HB   CYS  13          2HB       CYS  13   6.694  -2.887  -1.325
   78    H    ALA  14           H        ALA  14   8.568  -0.184  -2.165
   79    HA   ALA  14           HA       ALA  14   9.296  -0.268  -4.883
   80   1HB   ALA  14          1HB       ALA  14  11.470  -0.442  -2.902
   81   2HB   ALA  14          2HB       ALA  14  10.348   0.903  -2.696
   82   3HB   ALA  14          3HB       ALA  14  11.217   0.704  -4.219
   83    H    GLY  15           H        GLY  15   9.974  -1.870  -6.128
   84   1HA   GLY  15          1HA       GLY  15  11.536  -4.051  -5.183
   85   2HA   GLY  15          2HA       GLY  15  10.898  -3.863  -6.804

  No H/Q in entry =          85
  Start of MODEL    7
    1    H    ASN   1           H        ASN   1   7.996  -2.321  -5.447
    2    HA   ASN   1           HA       ASN   1   8.381  -3.656  -7.987
    3   1HB   ASN   1          1HB       ASN   1   7.796  -5.702  -6.770
    4   2HB   ASN   1          2HB       ASN   1   9.030  -4.799  -5.895
    5   1HD2  ASN   1          1HD2      ASN   1   6.369  -6.569  -5.460
    6   2HD2  ASN   1          2HD2      ASN   1   5.753  -5.866  -4.006
    7    H    GLY   2           H        GLY   2   5.828  -2.427  -5.985
    8   1HA   GLY   2          1HA       GLY   2   3.654  -3.751  -7.204
    9   2HA   GLY   2          2HA       GLY   2   3.949  -2.215  -8.013
   10    H    VAL   3           H        VAL   3   1.594  -2.815  -6.605
   11    HA   VAL   3           HA       VAL   3   1.802  -0.877  -4.403
   12    HB   VAL   3           HB       VAL   3  -0.708  -1.605  -5.911
   13   1HG1  VAL   3          1HG1      VAL   3  -0.738  -0.546  -3.562
   14   2HG1  VAL   3          2HG1      VAL   3  -0.214   0.922  -4.387
   15   3HG1  VAL   3          3HG1      VAL   3  -1.745   0.163  -4.823
   16   1HG2  VAL   3          1HG2      VAL   3   1.382  -0.342  -7.085
   17   2HG2  VAL   3          2HG2      VAL   3  -0.307  -0.078  -7.518
   18   3HG2  VAL   3          3HG2      VAL   3   0.502   1.028  -6.409
   19    H    CYS   4           H        CYS   4   1.072  -1.406  -2.423
   20    HA   CYS   4           HA       CYS   4  -0.147  -4.061  -2.071
   21   1HB   CYS   4          1HB       CYS   4   1.999  -2.726  -0.416
   22   2HB   CYS   4          2HB       CYS   4   1.064  -4.093   0.168
   23    H    CYS   5           H        CYS   5  -1.947  -4.101  -0.832
   24    HA   CYS   5           HA       CYS   5  -2.813  -1.545   0.307
   25   1HB   CYS   5          1HB       CYS   5  -4.500  -3.969  -0.344
   26   2HB   CYS   5          2HB       CYS   5  -5.082  -2.369   0.103
   27    H    GLY   6           H        GLY   6  -2.693  -1.321   2.403
   28   1HA   GLY   6          1HA       GLY   6  -1.970  -2.087   4.538
   29   2HA   GLY   6          2HA       GLY   6  -2.478  -3.710   4.096
   30    H    TYR   7           H        TYR   7  -3.195  -1.099   5.938
   31    HA   TYR   7           HA       TYR   7  -5.674  -2.153   6.836
   32   1HB   TYR   7          1HB       TYR   7  -5.633   0.073   8.204
   33   2HB   TYR   7          2HB       TYR   7  -4.464  -1.191   8.557
   34    HD1  TYR   7           HD1      TYR   7  -4.637   1.630   6.076
   35    HD2  TYR   7           HD2      TYR   7  -2.404  -0.350   9.109
   36    HE1  TYR   7           HE1      TYR   7  -2.798   3.229   5.758
   37    HE2  TYR   7           HE2      TYR   7  -0.560   1.245   8.800
   38    HH   TYR   7           HH       TYR   7  -0.652   3.972   7.677
   39    H    LYS   8           H        LYS   8  -6.373  -1.892   4.432
   40    HA   LYS   8           HA       LYS   8  -7.980  -1.097   3.036
   41   1HB   LYS   8          1HB       LYS   8  -8.630   0.742   5.345
   42   2HB   LYS   8          2HB       LYS   8  -9.586   0.624   3.874
   43   1HG   LYS   8          1HG       LYS   8 -10.121  -1.679   4.358
   44   2HG   LYS   8          2HG       LYS   8  -9.071  -1.652   5.777
   45   1HD   LYS   8          1HD       LYS   8 -11.428  -1.394   6.397
   46   2HD   LYS   8          2HD       LYS   8 -10.488   0.042   6.810
   47   1HE   LYS   8          1HE       LYS   8 -11.279   1.109   4.722
   48   2HE   LYS   8          2HE       LYS   8 -12.282  -0.306   4.411
   49   1HZ   LYS   8          1HZ       LYS   8 -13.260   0.186   6.705
   50   2HZ   LYS   8          2HZ       LYS   8 -12.562   1.719   6.538
   51   3HZ   LYS   8          3HZ       LYS   8 -13.716   1.188   5.422
   52    H    LEU   9           H        LEU   9  -5.317  -0.113   2.999
   53    HA   LEU   9           HA       LEU   9  -5.743   2.246   1.376
   54   1HB   LEU   9          1HB       LEU   9  -5.299   3.163   3.621
   55   2HB   LEU   9          2HB       LEU   9  -3.808   2.245   3.700
   56    HG   LEU   9           HG       LEU   9  -2.942   3.547   1.770
   57   1HD1  LEU   9          1HD1      LEU   9  -5.550   5.013   2.100
   58   2HD1  LEU   9          2HD1      LEU   9  -4.156   5.685   1.254
   59   3HD1  LEU   9          3HD1      LEU   9  -4.924   4.216   0.655
   60   1HD2  LEU   9          1HD2      LEU   9  -2.589   4.155   4.204
   61   2HD2  LEU   9          2HD2      LEU   9  -2.354   5.451   3.031
   62   3HD2  LEU   9          3HD2      LEU   9  -3.839   5.379   3.979
   63    H    CYS  10           H        CYS  10  -4.599   1.996  -0.430
   64    HA   CYS  10           HA       CYS  10  -2.524  -0.052  -0.464
   65   1HB   CYS  10          1HB       CYS  10  -3.744   1.383  -2.822
   66   2HB   CYS  10          2HB       CYS  10  -2.783  -0.088  -2.851
   67    H    HIS  11           H        HIS  11  -0.453   0.323  -0.882
   68    HA   HIS  11           HA       HIS  11   0.468   2.922  -1.820
   69   1HB   HIS  11          1HB       HIS  11   0.282   3.158   0.653
   70   2HB   HIS  11          2HB       HIS  11   1.327   1.758   0.851
   71    HD1  HIS  11           HD1      HIS  11   1.514   5.209  -0.760
   72    HD2  HIS  11           HD2      HIS  11   3.927   2.425   1.168
   73    HE1  HIS  11           HE1      HIS  11   3.770   6.299  -0.554
   74    H    CYS  13           H        CYS  13   4.340  -1.401  -3.030
   75    HA   CYS  13           HA       CYS  13   5.095  -1.552  -0.318
   76   1HB   CYS  13          1HB       CYS  13   6.165  -3.611  -2.137
   77   2HB   CYS  13          2HB       CYS  13   5.181  -3.785  -0.686
   78    H    ALA  14           H        ALA  14   7.110  -1.796  -3.244
   79    HA   ALA  14           HA       ALA  14   9.219  -0.268  -2.066
   80   1HB   ALA  14          1HB       ALA  14  10.240  -2.958  -2.709
   81   2HB   ALA  14          2HB       ALA  14   9.274  -2.838  -1.239
   82   3HB   ALA  14          3HB       ALA  14  10.713  -1.839  -1.431
   83    H    GLY  15           H        GLY  15   7.771   0.054  -4.381
   84   1HA   GLY  15          1HA       GLY  15   9.881   0.179  -6.326
   85   2HA   GLY  15          2HA       GLY  15   8.235   0.756  -6.535

  No H/Q in entry =          85
  Start of MODEL    8
    1    H    ASN   1           H        ASN   1   8.456  -1.496  -7.002
    2    HA   ASN   1           HA       ASN   1   6.803  -0.082  -8.978
    3   1HB   ASN   1          1HB       ASN   1   9.093  -1.075  -9.612
    4   2HB   ASN   1          2HB       ASN   1   8.295  -2.635  -9.507
    5   1HD2  ASN   1          1HD2      ASN   1   6.109  -0.310 -10.518
    6   2HD2  ASN   1          2HD2      ASN   1   6.205  -0.592 -12.216
    7    H    GLY   2           H        GLY   2   5.736  -1.160  -6.625
    8   1HA   GLY   2          1HA       GLY   2   4.663  -3.661  -6.585
    9   2HA   GLY   2          2HA       GLY   2   3.679  -2.817  -7.764
   10    H    VAL   3           H        VAL   3   1.840  -2.630  -6.726
   11    HA   VAL   3           HA       VAL   3   1.796  -0.885  -4.387
   12    HB   VAL   3           HB       VAL   3   0.429  -0.187  -6.268
   13   1HG1  VAL   3          1HG1      VAL   3  -0.881  -2.869  -5.947
   14   2HG1  VAL   3          2HG1      VAL   3  -1.656  -1.529  -6.791
   15   3HG1  VAL   3          3HG1      VAL   3  -0.129  -2.179  -7.386
   16   1HG2  VAL   3          1HG2      VAL   3  -0.299  -0.015  -3.748
   17   2HG2  VAL   3          2HG2      VAL   3  -1.363   0.527  -5.046
   18   3HG2  VAL   3          3HG2      VAL   3  -1.619  -1.049  -4.294
   19    H    CYS   4           H        CYS   4   0.792  -1.378  -2.509
   20    HA   CYS   4           HA       CYS   4  -0.283  -4.082  -2.148
   21   1HB   CYS   4          1HB       CYS   4   1.011  -4.282  -0.023
   22   2HB   CYS   4          2HB       CYS   4   2.039  -4.244  -1.453
   23    H    CYS   5           H        CYS   5  -2.025  -4.135  -0.801
   24    HA   CYS   5           HA       CYS   5  -2.837  -1.585   0.391
   25   1HB   CYS   5          1HB       CYS   5  -4.533  -4.017  -0.221
   26   2HB   CYS   5          2HB       CYS   5  -5.114  -2.446   0.322
   27    H    GLY   6           H        GLY   6  -2.672  -1.394   2.509
   28   1HA   GLY   6          1HA       GLY   6  -1.619  -2.458   4.475
   29   2HA   GLY   6          2HA       GLY   6  -2.591  -3.875   4.116
   30    H    TYR   7           H        TYR   7  -2.429  -0.894   5.719
   31    HA   TYR   7           HA       TYR   7  -4.698  -1.440   7.322
   32   1HB   TYR   7          1HB       TYR   7  -4.154   0.984   8.146
   33   2HB   TYR   7          2HB       TYR   7  -3.043  -0.335   8.489
   34    HD1  TYR   7           HD1      TYR   7  -0.840   0.296   8.354
   35    HD2  TYR   7           HD2      TYR   7  -3.595   1.990   5.589
   36    HE1  TYR   7           HE1      TYR   7   0.994   1.550   7.300
   37    HE2  TYR   7           HE2      TYR   7  -1.768   3.245   4.529
   38    HH   TYR   7           HH       TYR   7   0.979   3.929   5.803
   39    H    LYS   8           H        LYS   8  -5.864  -1.486   5.016
   40    HA   LYS   8           HA       LYS   8  -7.667  -0.800   3.847
   41   1HB   LYS   8          1HB       LYS   8  -9.299   0.337   4.941
   42   2HB   LYS   8          2HB       LYS   8  -8.242   0.084   6.316
   43   1HG   LYS   8          1HG       LYS   8  -7.265   2.370   5.804
   44   2HG   LYS   8          2HG       LYS   8  -8.621   2.588   4.699
   45   1HD   LYS   8          1HD       LYS   8  -9.232   3.581   6.775
   46   2HD   LYS   8          2HD       LYS   8 -10.148   2.080   6.626
   47   1HE   LYS   8          1HE       LYS   8  -9.219   2.385   8.884
   48   2HE   LYS   8          2HE       LYS   8  -8.585   0.945   8.088
   49   1HZ   LYS   8          1HZ       LYS   8  -7.187   3.558   8.275
   50   2HZ   LYS   8          2HZ       LYS   8  -6.840   2.193   9.210
   51   3HZ   LYS   8          3HZ       LYS   8  -6.576   2.160   7.536
   52    H    LEU   9           H        LEU   9  -4.883   0.438   3.633
   53    HA   LEU   9           HA       LEU   9  -5.644   2.378   1.586
   54   1HB   LEU   9          1HB       LEU   9  -5.015   3.665   3.585
   55   2HB   LEU   9          2HB       LEU   9  -3.478   2.825   3.646
   56    HG   LEU   9           HG       LEU   9  -2.890   3.822   1.444
   57   1HD1  LEU   9          1HD1      LEU   9  -5.435   5.386   1.858
   58   2HD1  LEU   9          2HD1      LEU   9  -4.217   5.714   0.624
   59   3HD1  LEU   9          3HD1      LEU   9  -5.129   4.205   0.585
   60   1HD2  LEU   9          1HD2      LEU   9  -3.104   5.133   3.992
   61   2HD2  LEU   9          2HD2      LEU   9  -1.835   5.254   2.773
   62   3HD2  LEU   9          3HD2      LEU   9  -3.248   6.306   2.683
   63    H    CYS  10           H        CYS  10  -4.595   2.071  -0.259
   64    HA   CYS  10           HA       CYS  10  -2.551  -0.002  -0.343
   65   1HB   CYS  10          1HB       CYS  10  -3.932   1.394  -2.645
   66   2HB   CYS  10          2HB       CYS  10  -2.975  -0.083  -2.725
   67    H    HIS  11           H        HIS  11  -0.471   0.364  -0.878
   68    HA   HIS  11           HA       HIS  11   0.350   2.897  -2.038
   69   1HB   HIS  11          1HB       HIS  11   1.955   3.424  -0.266
   70   2HB   HIS  11          2HB       HIS  11   0.324   3.385   0.387
   71    HD1  HIS  11           HD1      HIS  11   3.385   1.100   0.204
   72    HD2  HIS  11           HD2      HIS  11   0.072   1.856   2.609
   73    HE1  HIS  11           HE1      HIS  11   3.673  -0.356   2.230
   74    H    CYS  13           H        CYS  13   4.725  -1.301  -3.236
   75    HA   CYS  13           HA       CYS  13   5.853  -1.190  -0.515
   76   1HB   CYS  13          1HB       CYS  13   4.385  -3.286  -1.971
   77   2HB   CYS  13          2HB       CYS  13   5.804  -3.854  -1.099
   78    H    ALA  14           H        ALA  14   6.425  -2.788  -3.653
   79    HA   ALA  14           HA       ALA  14   9.277  -2.831  -2.998
   80   1HB   ALA  14          1HB       ALA  14   9.153  -4.280  -5.259
   81   2HB   ALA  14          2HB       ALA  14   7.523  -4.540  -4.639
   82   3HB   ALA  14          3HB       ALA  14   8.920  -4.966  -3.651
   83    H    GLY  15           H        GLY  15   7.883  -0.468  -3.831
   84   1HA   GLY  15          1HA       GLY  15   9.741   0.485  -5.779
   85   2HA   GLY  15          2HA       GLY  15   8.448   1.404  -5.036

  No H/Q in entry =          85
  Start of MODEL    9
    1    H    ASN   1           H        ASN   1   7.458  -1.066  -5.669
    2    HA   ASN   1           HA       ASN   1   8.591  -2.160  -8.090
    3   1HB   ASN   1          1HB       ASN   1   8.004  -4.536  -7.098
    4   2HB   ASN   1          2HB       ASN   1   9.577  -3.801  -6.814
    5   1HD2  ASN   1          1HD2      ASN   1  10.200  -4.306  -4.851
    6   2HD2  ASN   1          2HD2      ASN   1   9.235  -4.235  -3.422
    7    H    GLY   2           H        GLY   2   5.948  -2.400  -5.732
    8   1HA   GLY   2          1HA       GLY   2   3.974  -3.659  -7.012
    9   2HA   GLY   2          2HA       GLY   2   4.038  -2.144  -7.905
   10    H    VAL   3           H        VAL   3   1.730  -2.730  -6.668
   11    HA   VAL   3           HA       VAL   3   1.713  -0.837  -4.420
   12    HB   VAL   3           HB       VAL   3  -0.661  -1.669  -6.079
   13   1HG1  VAL   3          1HG1      VAL   3  -0.186   0.354  -3.943
   14   2HG1  VAL   3          2HG1      VAL   3  -1.402   0.667  -5.181
   15   3HG1  VAL   3          3HG1      VAL   3  -1.534  -0.763  -4.158
   16   1HG2  VAL   3          1HG2      VAL   3   1.502  -0.119  -6.948
   17   2HG2  VAL   3          2HG2      VAL   3  -0.073  -0.291  -7.723
   18   3HG2  VAL   3          3HG2      VAL   3   0.209   1.024  -6.581
   19    H    CYS   4           H        CYS   4   0.959  -1.423  -2.498
   20    HA   CYS   4           HA       CYS   4  -0.317  -4.054  -2.195
   21   1HB   CYS   4          1HB       CYS   4   1.970  -2.912  -0.579
   22   2HB   CYS   4          2HB       CYS   4   0.978  -4.248  -0.010
   23    H    CYS   5           H        CYS   5  -2.003  -4.097  -0.765
   24    HA   CYS   5           HA       CYS   5  -2.747  -1.523   0.419
   25   1HB   CYS   5          1HB       CYS   5  -4.502  -3.951  -0.011
   26   2HB   CYS   5          2HB       CYS   5  -5.022  -2.319   0.399
   27    H    GLY   6           H        GLY   6  -2.523  -1.286   2.520
   28   1HA   GLY   6          1HA       GLY   6  -1.427  -2.253   4.496
   29   2HA   GLY   6          2HA       GLY   6  -2.333  -3.722   4.184
   30    H    TYR   7           H        TYR   7  -2.301  -0.686   5.705
   31    HA   TYR   7           HA       TYR   7  -4.518  -1.304   7.356
   32   1HB   TYR   7          1HB       TYR   7  -4.089   1.158   8.119
   33   2HB   TYR   7          2HB       TYR   7  -2.902  -0.089   8.474
   34    HD1  TYR   7           HD1      TYR   7  -0.746   0.677   8.314
   35    HD2  TYR   7           HD2      TYR   7  -3.609   2.126   5.521
   36    HE1  TYR   7           HE1      TYR   7   1.005   2.013   7.220
   37    HE2  TYR   7           HE2      TYR   7  -1.865   3.463   4.420
   38    HH   TYR   7           HH       TYR   7   0.765   4.399   5.612
   39    H    LYS   8           H        LYS   8  -5.727  -1.482   5.093
   40    HA   LYS   8           HA       LYS   8  -7.562  -0.862   3.908
   41   1HB   LYS   8          1HB       LYS   8  -8.331  -0.201   6.254
   42   2HB   LYS   8          2HB       LYS   8  -7.902   1.447   5.824
   43   1HG   LYS   8          1HG       LYS   8  -9.487   1.288   3.908
   44   2HG   LYS   8          2HG       LYS   8  -9.992  -0.287   4.526
   45   1HD   LYS   8          1HD       LYS   8 -10.170   2.338   6.008
   46   2HD   LYS   8          2HD       LYS   8 -11.517   1.488   5.247
   47   1HE   LYS   8          1HE       LYS   8 -11.204  -0.394   6.757
   48   2HE   LYS   8          2HE       LYS   8  -9.813   0.406   7.490
   49   1HZ   LYS   8          1HZ       LYS   8 -11.621   2.286   7.831
   50   2HZ   LYS   8          2HZ       LYS   8 -12.659   0.950   7.821
   51   3HZ   LYS   8          3HZ       LYS   8 -11.401   1.038   8.951
   52    H    LEU   9           H        LEU   9  -4.903   0.225   3.391
   53    HA   LEU   9           HA       LEU   9  -5.691   2.244   1.476
   54   1HB   LEU   9          1HB       LEU   9  -5.106   3.554   3.479
   55   2HB   LEU   9          2HB       LEU   9  -3.536   2.775   3.528
   56    HG   LEU   9           HG       LEU   9  -3.002   3.796   1.326
   57   1HD1  LEU   9          1HD1      LEU   9  -5.777   4.809   1.640
   58   2HD1  LEU   9          2HD1      LEU   9  -4.582   5.859   0.880
   59   3HD1  LEU   9          3HD1      LEU   9  -4.924   4.272   0.194
   60   1HD2  LEU   9          1HD2      LEU   9  -2.440   4.829   3.561
   61   2HD2  LEU   9          2HD2      LEU   9  -2.475   5.932   2.186
   62   3HD2  LEU   9          3HD2      LEU   9  -3.827   5.891   3.318
   63    H    CYS  10           H        CYS  10  -4.633   1.941  -0.373
   64    HA   CYS  10           HA       CYS  10  -2.523  -0.062  -0.417
   65   1HB   CYS  10          1HB       CYS  10  -3.877   1.266  -2.770
   66   2HB   CYS  10          2HB       CYS  10  -2.928  -0.214  -2.780
   67    H    HIS  11           H        HIS  11  -0.460   0.349  -0.903
   68    HA   HIS  11           HA       HIS  11   0.342   2.869  -2.094
   69   1HB   HIS  11          1HB       HIS  11   1.913   3.438  -0.274
   70   2HB   HIS  11          2HB       HIS  11   0.246   3.479   0.275
   71    HD1  HIS  11           HD1      HIS  11   1.843   3.339   2.590
   72    HD2  HIS  11           HD2      HIS  11   1.217  -0.139   0.401
   73    HE1  HIS  11           HE1      HIS  11   2.359   1.452   4.161
   74    H    CYS  13           H        CYS  13   4.414  -1.378  -3.189
   75    HA   CYS  13           HA       CYS  13   4.622  -2.056  -0.459
   76   1HB   CYS  13          1HB       CYS  13   5.975  -3.633  -2.624
   77   2HB   CYS  13          2HB       CYS  13   5.153  -4.217  -1.181
   78    H    ALA  14           H        ALA  14   7.131  -1.657  -2.934
   79    HA   ALA  14           HA       ALA  14   8.957  -0.425  -1.144
   80   1HB   ALA  14          1HB       ALA  14  10.691  -2.197  -1.163
   81   2HB   ALA  14          2HB       ALA  14   9.246  -2.659  -0.264
   82   3HB   ALA  14          3HB       ALA  14   9.519  -3.297  -1.886
   83    H    GLY  15           H        GLY  15   7.967   0.351  -3.566
   84   1HA   GLY  15          1HA       GLY  15  10.343   0.822  -5.050
   85   2HA   GLY  15          2HA       GLY  15   8.725   1.313  -5.516

  No H/Q in entry =          85
  Start of MODEL   10
    1    H    ASN   1           H        ASN   1   6.863   0.033  -5.788
    2    HA   ASN   1           HA       ASN   1   7.125   0.101  -8.660
    3   1HB   ASN   1          1HB       ASN   1   9.193  -1.024  -7.964
    4   2HB   ASN   1          2HB       ASN   1   8.256  -2.195  -7.043
    5   1HD2  ASN   1          1HD2      ASN   1   9.706  -1.520  -9.973
    6   2HD2  ASN   1          2HD2      ASN   1   8.996  -2.783 -10.913
    7    H    GLY   2           H        GLY   2   6.277  -2.225  -6.077
    8   1HA   GLY   2          1HA       GLY   2   4.515  -3.828  -6.316
    9   2HA   GLY   2          2HA       GLY   2   3.824  -2.819  -7.573
   10    H    VAL   3           H        VAL   3   1.841  -2.609  -6.706
   11    HA   VAL   3           HA       VAL   3   1.632  -0.778  -4.458
   12    HB   VAL   3           HB       VAL   3  -0.646  -1.897  -6.079
   13   1HG1  VAL   3          1HG1      VAL   3  -0.405   0.005  -3.908
   14   2HG1  VAL   3          2HG1      VAL   3  -1.227   0.693  -5.309
   15   3HG1  VAL   3          3HG1      VAL   3  -1.838  -0.785  -4.566
   16   1HG2  VAL   3          1HG2      VAL   3   1.420  -0.055  -6.905
   17   2HG2  VAL   3          2HG2      VAL   3   0.126  -0.790  -7.851
   18   3HG2  VAL   3          3HG2      VAL   3  -0.173   0.701  -6.957
   19    H    CYS   4           H        CYS   4   0.929  -1.317  -2.501
   20    HA   CYS   4           HA       CYS   4  -0.136  -4.025  -2.078
   21   1HB   CYS   4          1HB       CYS   4   1.823  -2.598  -0.264
   22   2HB   CYS   4          2HB       CYS   4   1.203  -4.231  -0.061
   23    H    CYS   5           H        CYS   5  -1.934  -4.094  -0.834
   24    HA   CYS   5           HA       CYS   5  -2.823  -1.577   0.370
   25   1HB   CYS   5          1HB       CYS   5  -4.463  -4.037  -0.282
   26   2HB   CYS   5          2HB       CYS   5  -5.076  -2.466   0.223
   27    H    GLY   6           H        GLY   6  -2.799  -1.396   2.490
   28   1HA   GLY   6          1HA       GLY   6  -1.747  -2.465   4.483
   29   2HA   GLY   6          2HA       GLY   6  -2.712  -3.881   4.098
   30    H    TYR   7           H        TYR   7  -2.602  -0.880   5.687
   31    HA   TYR   7           HA       TYR   7  -4.946  -1.408   7.191
   32   1HB   TYR   7          1HB       TYR   7  -4.417   1.013   8.042
   33   2HB   TYR   7          2HB       TYR   7  -3.360  -0.324   8.465
   34    HD1  TYR   7           HD1      TYR   7  -3.630   1.948   5.481
   35    HD2  TYR   7           HD2      TYR   7  -1.162   0.327   8.544
   36    HE1  TYR   7           HE1      TYR   7  -1.705   3.175   4.570
   37    HE2  TYR   7           HE2      TYR   7   0.769   1.551   7.641
   38    HH   TYR   7           HH       TYR   7   0.950   3.851   6.135
   39    H    LYS   8           H        LYS   8  -6.126  -1.530   5.053
   40    HA   LYS   8           HA       LYS   8  -7.693  -0.823   3.594
   41   1HB   LYS   8          1HB       LYS   8  -9.445   0.570   4.407
   42   2HB   LYS   8          2HB       LYS   8  -8.866  -0.376   5.767
   43   1HG   LYS   8          1HG       LYS   8  -7.745   1.501   6.696
   44   2HG   LYS   8          2HG       LYS   8  -8.011   2.456   5.238
   45   1HD   LYS   8          1HD       LYS   8 -10.465   2.276   5.663
   46   2HD   LYS   8          2HD       LYS   8 -10.085   1.510   7.209
   47   1HE   LYS   8          1HE       LYS   8 -10.521   3.935   7.414
   48   2HE   LYS   8          2HE       LYS   8  -8.901   3.477   7.944
   49   1HZ   LYS   8          1HZ       LYS   8  -8.424   4.044   5.398
   50   2HZ   LYS   8          2HZ       LYS   8  -9.720   5.097   5.670
   51   3HZ   LYS   8          3HZ       LYS   8  -8.329   5.199   6.629
   52    H    LEU   9           H        LEU   9  -5.110   0.201   3.257
   53    HA   LEU   9           HA       LEU   9  -5.706   2.382   1.459
   54   1HB   LEU   9          1HB       LEU   9  -5.126   3.528   3.567
   55   2HB   LEU   9          2HB       LEU   9  -3.608   2.653   3.621
   56    HG   LEU   9           HG       LEU   9  -2.925   3.773   1.513
   57   1HD1  LEU   9          1HD1      LEU   9  -5.657   4.476   1.415
   58   2HD1  LEU   9          2HD1      LEU   9  -4.737   5.971   1.590
   59   3HD1  LEU   9          3HD1      LEU   9  -4.385   4.870   0.259
   60   1HD2  LEU   9          1HD2      LEU   9  -2.319   4.636   3.764
   61   2HD2  LEU   9          2HD2      LEU   9  -2.389   5.882   2.518
   62   3HD2  LEU   9          3HD2      LEU   9  -3.709   5.718   3.676
   63    H    CYS  10           H        CYS  10  -4.608   2.076  -0.374
   64    HA   CYS  10           HA       CYS  10  -2.575  -0.015  -0.392
   65   1HB   CYS  10          1HB       CYS  10  -3.900   1.362  -2.739
   66   2HB   CYS  10          2HB       CYS  10  -2.913  -0.096  -2.792
   67    H    HIS  11           H        HIS  11  -0.494   0.338  -0.825
   68    HA   HIS  11           HA       HIS  11   0.402   2.823  -2.015
   69   1HB   HIS  11          1HB       HIS  11   1.975   3.353  -0.181
   70   2HB   HIS  11          2HB       HIS  11   0.300   3.480   0.330
   71    HD1  HIS  11           HD1      HIS  11   2.028   3.310   2.620
   72    HD2  HIS  11           HD2      HIS  11   0.921  -0.158   0.618
   73    HE1  HIS  11           HE1      HIS  11   2.365   1.446   4.267
   74    H    CYS  13           H        CYS  13   4.643  -1.430  -2.964
   75    HA   CYS  13           HA       CYS  13   5.471  -1.363  -0.233
   76   1HB   CYS  13          1HB       CYS  13   5.598  -3.343  -2.449
   77   2HB   CYS  13          2HB       CYS  13   6.722  -3.558  -1.112
   78    H    ALA  14           H        ALA  14   7.136  -1.004  -3.307
   79    HA   ALA  14           HA       ALA  14   9.382   0.197  -1.930
   80   1HB   ALA  14          1HB       ALA  14  10.860  -1.353  -3.532
   81   2HB   ALA  14          2HB       ALA  14  10.449  -1.807  -1.879
   82   3HB   ALA  14          3HB       ALA  14   9.521  -2.459  -3.231
   83    H    GLY  15           H        GLY  15   7.453   1.318  -3.557
   84   1HA   GLY  15          1HA       GLY  15   9.016   2.746  -5.399
   85   2HA   GLY  15          2HA       GLY  15   7.267   2.807  -5.290

  No H/Q in entry =          85
  Start of MODEL   11
    1    H    ASN   1           H        ASN   1   7.725  -2.636  -5.180
    2    HA   ASN   1           HA       ASN   1   8.211  -5.003  -6.780
    3   1HB   ASN   1          1HB       ASN   1   7.968  -5.969  -4.558
    4   2HB   ASN   1          2HB       ASN   1   6.475  -5.072  -4.302
    5   1HD2  ASN   1          1HD2      ASN   1   4.726  -6.263  -4.511
    6   2HD2  ASN   1          2HD2      ASN   1   4.532  -7.616  -5.566
    7    H    GLY   2           H        GLY   2   5.636  -3.102  -5.241
    8   1HA   GLY   2          1HA       GLY   2   3.700  -3.590  -7.234
    9   2HA   GLY   2          2HA       GLY   2   4.521  -2.078  -7.574
   10    H    VAL   3           H        VAL   3   1.768  -2.800  -6.669
   11    HA   VAL   3           HA       VAL   3   1.638  -0.840  -4.492
   12    HB   VAL   3           HB       VAL   3  -0.684  -1.910  -6.086
   13   1HG1  VAL   3          1HG1      VAL   3  -0.778  -0.585  -3.774
   14   2HG1  VAL   3          2HG1      VAL   3  -0.686   0.787  -4.879
   15   3HG1  VAL   3          3HG1      VAL   3  -1.991  -0.387  -5.038
   16   1HG2  VAL   3          1HG2      VAL   3   1.380  -0.391  -7.131
   17   2HG2  VAL   3          2HG2      VAL   3  -0.238  -0.567  -7.811
   18   3HG2  VAL   3          3HG2      VAL   3   0.130   0.793  -6.750
   19    H    CYS   4           H        CYS   4   0.934  -1.375  -2.517
   20    HA   CYS   4           HA       CYS   4  -0.191  -4.059  -2.089
   21   1HB   CYS   4          1HB       CYS   4   1.992  -2.697  -0.507
   22   2HB   CYS   4          2HB       CYS   4   1.073  -4.054   0.122
   23    H    CYS   5           H        CYS   5  -1.952  -4.100  -0.812
   24    HA   CYS   5           HA       CYS   5  -2.814  -1.555   0.353
   25   1HB   CYS   5          1HB       CYS   5  -4.478  -4.007  -0.257
   26   2HB   CYS   5          2HB       CYS   5  -5.076  -2.425   0.231
   27    H    GLY   6           H        GLY   6  -2.664  -1.331   2.449
   28   1HA   GLY   6          1HA       GLY   6  -1.824  -2.131   4.548
   29   2HA   GLY   6          2HA       GLY   6  -2.401  -3.736   4.127
   30    H    TYR   7           H        TYR   7  -2.967  -1.080   5.970
   31    HA   TYR   7           HA       TYR   7  -5.424  -2.054   7.005
   32   1HB   TYR   7          1HB       TYR   7  -5.264   0.222   8.297
   33   2HB   TYR   7          2HB       TYR   7  -4.127  -1.073   8.646
   34    HD1  TYR   7           HD1      TYR   7  -1.997  -0.322   9.049
   35    HD2  TYR   7           HD2      TYR   7  -4.323   1.695   6.112
   36    HE1  TYR   7           HE1      TYR   7  -0.112   1.192   8.601
   37    HE2  TYR   7           HE2      TYR   7  -2.445   3.210   5.656
   38    HH   TYR   7           HH       TYR   7   0.010   3.736   7.585
   39    H    LYS   8           H        LYS   8  -6.218  -1.830   4.620
   40    HA   LYS   8           HA       LYS   8  -7.836  -1.021   3.249
   41   1HB   LYS   8          1HB       LYS   8  -9.040  -0.666   5.452
   42   2HB   LYS   8          2HB       LYS   8  -8.482   0.999   5.404
   43   1HG   LYS   8          1HG       LYS   8  -9.665   1.280   3.241
   44   2HG   LYS   8          2HG       LYS   8 -10.312  -0.352   3.431
   45   1HD   LYS   8          1HD       LYS   8 -11.424   0.301   5.487
   46   2HD   LYS   8          2HD       LYS   8 -10.721   1.917   5.378
   47   1HE   LYS   8          1HE       LYS   8 -11.917   2.267   3.255
   48   2HE   LYS   8          2HE       LYS   8 -12.650   0.672   3.421
   49   1HZ   LYS   8          1HZ       LYS   8 -12.957   2.798   5.460
   50   2HZ   LYS   8          2HZ       LYS   8 -14.039   2.599   4.175
   51   3HZ   LYS   8          3HZ       LYS   8 -13.844   1.365   5.313
   52    H    LEU   9           H        LEU   9  -5.179  -0.080   3.132
   53    HA   LEU   9           HA       LEU   9  -5.607   2.304   1.544
   54   1HB   LEU   9          1HB       LEU   9  -5.069   3.192   3.780
   55   2HB   LEU   9          2HB       LEU   9  -3.594   2.244   3.801
   56    HG   LEU   9           HG       LEU   9  -2.768   3.546   1.855
   57   1HD1  LEU   9          1HD1      LEU   9  -5.457   4.767   2.118
   58   2HD1  LEU   9          2HD1      LEU   9  -4.113   5.824   1.688
   59   3HD1  LEU   9          3HD1      LEU   9  -4.498   4.432   0.677
   60   1HD2  LEU   9          1HD2      LEU   9  -2.963   4.322   4.546
   61   2HD2  LEU   9          2HD2      LEU   9  -1.773   4.843   3.353
   62   3HD2  LEU   9          3HD2      LEU   9  -3.252   5.773   3.589
   63    H    CYS  10           H        CYS  10  -4.596   1.982  -0.309
   64    HA   CYS  10           HA       CYS  10  -2.516  -0.056  -0.441
   65   1HB   CYS  10          1HB       CYS  10  -3.874   1.373  -2.730
   66   2HB   CYS  10          2HB       CYS  10  -2.906  -0.093  -2.815
   67    H    HIS  11           H        HIS  11  -0.453   0.355  -0.883
   68    HA   HIS  11           HA       HIS  11   0.381   2.897  -2.006
   69   1HB   HIS  11          1HB       HIS  11   1.914   3.448  -0.184
   70   2HB   HIS  11          2HB       HIS  11   0.265   3.377   0.423
   71    HD1  HIS  11           HD1      HIS  11   3.347   1.114   0.290
   72    HD2  HIS  11           HD2      HIS  11   0.006   1.874   2.657
   73    HE1  HIS  11           HE1      HIS  11   3.609  -0.341   2.322
   74    H    CYS  13           H        CYS  13   4.683  -1.278  -3.297
   75    HA   CYS  13           HA       CYS  13   5.189  -1.727  -0.485
   76   1HB   CYS  13          1HB       CYS  13   6.110  -3.671  -2.544
   77   2HB   CYS  13          2HB       CYS  13   5.287  -3.962  -1.016
   78    H    ALA  14           H        ALA  14   7.448  -3.350  -0.560
   79    HA   ALA  14           HA       ALA  14   9.530  -1.374  -0.616
   80   1HB   ALA  14          1HB       ALA  14  10.656  -3.917  -0.190
   81   2HB   ALA  14          2HB       ALA  14   9.092  -3.913   0.624
   82   3HB   ALA  14          3HB       ALA  14  10.289  -2.678   1.011
   83    H    GLY  15           H        GLY  15   8.860  -1.328  -3.136
   84   1HA   GLY  15          1HA       GLY  15  11.170  -2.367  -4.490
   85   2HA   GLY  15          2HA       GLY  15   9.916  -1.373  -5.198

  No H/Q in entry =          85
  Start of MODEL   12
    1    H    ASN   1           H        ASN   1   7.980  -4.394  -4.499
    2    HA   ASN   1           HA       ASN   1   6.634  -6.886  -5.098
    3   1HB   ASN   1          1HB       ASN   1   6.134  -4.820  -2.953
    4   2HB   ASN   1          2HB       ASN   1   5.194  -6.295  -3.134
    5   1HD2  ASN   1          1HD2      ASN   1   5.804  -7.910  -1.906
    6   2HD2  ASN   1          2HD2      ASN   1   7.386  -8.165  -1.264
    7    H    GLY   2           H        GLY   2   6.097  -3.462  -5.545
    8   1HA   GLY   2          1HA       GLY   2   3.657  -4.145  -7.046
    9   2HA   GLY   2          2HA       GLY   2   4.620  -2.700  -7.294
   10    H    VAL   3           H        VAL   3   1.737  -3.208  -6.610
   11    HA   VAL   3           HA       VAL   3   1.603  -1.140  -4.576
   12    HB   VAL   3           HB       VAL   3   0.198  -0.734  -6.439
   13   1HG1  VAL   3          1HG1      VAL   3   0.007  -3.071  -7.223
   14   2HG1  VAL   3          2HG1      VAL   3  -1.165  -3.374  -5.942
   15   3HG1  VAL   3          3HG1      VAL   3  -1.536  -2.219  -7.221
   16   1HG2  VAL   3          1HG2      VAL   3  -0.974  -1.229  -3.821
   17   2HG2  VAL   3          2HG2      VAL   3  -1.102   0.178  -4.875
   18   3HG2  VAL   3          3HG2      VAL   3  -2.155  -1.214  -5.131
   19    H    CYS   4           H        CYS   4   1.057  -1.438  -2.553
   20    HA   CYS   4           HA       CYS   4   0.102  -4.112  -1.748
   21   1HB   CYS   4          1HB       CYS   4   1.731  -2.211  -0.065
   22   2HB   CYS   4          2HB       CYS   4   1.308  -3.871   0.323
   23    H    CYS   5           H        CYS   5  -1.906  -4.084  -1.016
   24    HA   CYS   5           HA       CYS   5  -2.973  -1.628   0.173
   25   1HB   CYS   5          1HB       CYS   5  -4.470  -4.008  -0.954
   26   2HB   CYS   5          2HB       CYS   5  -5.188  -2.512  -0.368
   27    H    GLY   6           H        GLY   6  -3.531  -1.638   2.276
   28   1HA   GLY   6          1HA       GLY   6  -2.627  -3.199   4.199
   29   2HA   GLY   6          2HA       GLY   6  -3.918  -4.228   3.609
   30    H    TYR   7           H        TYR   7  -3.179  -1.194   5.182
   31    HA   TYR   7           HA       TYR   7  -5.487  -1.368   6.834
   32   1HB   TYR   7          1HB       TYR   7  -4.625   0.994   7.549
   33   2HB   TYR   7          2HB       TYR   7  -3.697  -0.441   7.962
   34    HD1  TYR   7           HD1      TYR   7  -3.922   1.769   4.930
   35    HD2  TYR   7           HD2      TYR   7  -1.435  -0.075   7.847
   36    HE1  TYR   7           HE1      TYR   7  -1.941   2.728   3.839
   37    HE2  TYR   7           HE2      TYR   7   0.553   0.880   6.762
   38    HH   TYR   7           HH       TYR   7   0.736   3.251   5.014
   39    H    LYS   8           H        LYS   8  -6.706  -1.408   4.626
   40    HA   LYS   8           HA       LYS   8  -8.243  -0.541   3.223
   41   1HB   LYS   8          1HB       LYS   8  -9.850   0.936   4.101
   42   2HB   LYS   8          2HB       LYS   8  -9.245   0.044   5.484
   43   1HG   LYS   8          1HG       LYS   8  -7.861   1.949   6.120
   44   2HG   LYS   8          2HG       LYS   8  -8.440   2.843   4.713
   45   1HD   LYS   8          1HD       LYS   8  -9.659   3.550   6.673
   46   2HD   LYS   8          2HD       LYS   8 -10.744   2.668   5.597
   47   1HE   LYS   8          1HE       LYS   8 -10.475   0.662   6.964
   48   2HE   LYS   8          2HE       LYS   8  -9.373   1.531   8.031
   49   1HZ   LYS   8          1HZ       LYS   8 -11.875   2.879   7.683
   50   2HZ   LYS   8          2HZ       LYS   8 -12.065   1.334   8.344
   51   3HZ   LYS   8          3HZ       LYS   8 -11.064   2.464   9.108
   52    H    LEU   9           H        LEU   9  -5.472   0.405   3.089
   53    HA   LEU   9           HA       LEU   9  -5.902   2.474   1.121
   54   1HB   LEU   9          1HB       LEU   9  -5.515   3.737   3.204
   55   2HB   LEU   9          2HB       LEU   9  -4.013   2.870   3.449
   56    HG   LEU   9           HG       LEU   9  -3.141   3.870   1.342
   57   1HD1  LEU   9          1HD1      LEU   9  -5.623   4.341   0.601
   58   2HD1  LEU   9          2HD1      LEU   9  -5.332   5.879   1.412
   59   3HD1  LEU   9          3HD1      LEU   9  -4.297   5.377   0.074
   60   1HD2  LEU   9          1HD2      LEU   9  -3.169   4.904   3.828
   61   2HD2  LEU   9          2HD2      LEU   9  -2.335   5.649   2.465
   62   3HD2  LEU   9          3HD2      LEU   9  -3.938   6.217   2.936
   63    H    CYS  10           H        CYS  10  -4.487   2.275  -0.530
   64    HA   CYS  10           HA       CYS  10  -2.595   0.062  -0.339
   65   1HB   CYS  10          1HB       CYS  10  -3.536   1.586  -2.783
   66   2HB   CYS  10          2HB       CYS  10  -2.577   0.109  -2.780
   67    H    HIS  11           H        HIS  11  -0.426   0.305  -0.640
   68    HA   HIS  11           HA       HIS  11   0.596   2.979  -1.274
   69   1HB   HIS  11          1HB       HIS  11   2.255   2.860   0.517
   70   2HB   HIS  11          2HB       HIS  11   0.632   2.769   1.183
   71    HD1  HIS  11           HD1      HIS  11   3.521   0.436   0.324
   72    HD2  HIS  11           HD2      HIS  11   0.228   0.669   2.855
   73    HE1  HIS  11           HE1      HIS  11   3.705  -1.548   1.856
   74    H    CYS  13           H        CYS  13   4.738  -0.756  -3.933
   75    HA   CYS  13           HA       CYS  13   6.741  -0.577  -1.781
   76   1HB   CYS  13          1HB       CYS  13   5.377  -3.098  -2.771
   77   2HB   CYS  13          2HB       CYS  13   6.597  -3.005  -1.508
   78    H    ALA  14           H        ALA  14   8.788  -0.751  -2.528
   79    HA   ALA  14           HA       ALA  14   9.303  -0.896  -5.302
   80   1HB   ALA  14          1HB       ALA  14  11.475  -1.416  -3.334
   81   2HB   ALA  14          2HB       ALA  14  10.677   0.156  -3.321
   82   3HB   ALA  14          3HB       ALA  14  11.481  -0.414  -4.784
   83    H    GLY  15           H        GLY  15   9.299  -2.640  -6.546
   84   1HA   GLY  15          1HA       GLY  15  10.544  -5.097  -5.608
   85   2HA   GLY  15          2HA       GLY  15  10.080  -4.724  -7.257

  No H/Q in entry =          85
  Start of MODEL   13
    1    H    ASN   1           H        ASN   1   8.125  -2.156  -5.746
    2    HA   ASN   1           HA       ASN   1   8.377  -3.232  -8.418
    3   1HB   ASN   1          1HB       ASN   1   7.479  -5.344  -7.055
    4   2HB   ASN   1          2HB       ASN   1   9.166  -4.846  -7.004
    5   1HD2  ASN   1          1HD2      ASN   1   9.871  -5.199  -5.028
    6   2HD2  ASN   1          2HD2      ASN   1   9.074  -4.738  -3.567
    7    H    GLY   2           H        GLY   2   5.866  -2.592  -6.043
    8   1HA   GLY   2          1HA       GLY   2   3.689  -3.791  -7.230
    9   2HA   GLY   2          2HA       GLY   2   3.891  -2.253  -8.061
   10    H    VAL   3           H        VAL   3   1.598  -2.754  -6.657
   11    HA   VAL   3           HA       VAL   3   1.893  -0.915  -4.394
   12    HB   VAL   3           HB       VAL   3   0.506  -0.049  -6.187
   13   1HG1  VAL   3          1HG1      VAL   3  -0.274  -2.389  -6.897
   14   2HG1  VAL   3          2HG1      VAL   3  -1.536  -2.175  -5.685
   15   3HG1  VAL   3          3HG1      VAL   3  -1.414  -1.050  -7.036
   16   1HG2  VAL   3          1HG2      VAL   3  -0.198  -0.197  -3.489
   17   2HG2  VAL   3          2HG2      VAL   3  -0.705   1.012  -4.668
   18   3HG2  VAL   3          3HG2      VAL   3  -1.696  -0.420  -4.394
   19    H    CYS   4           H        CYS   4   1.100  -1.401  -2.451
   20    HA   CYS   4           HA       CYS   4  -0.155  -4.040  -2.090
   21   1HB   CYS   4          1HB       CYS   4   2.043  -2.760  -0.464
   22   2HB   CYS   4          2HB       CYS   4   1.081  -4.099   0.138
   23    H    CYS   5           H        CYS   5  -1.944  -4.043  -0.841
   24    HA   CYS   5           HA       CYS   5  -2.741  -1.488   0.351
   25   1HB   CYS   5          1HB       CYS   5  -4.518  -3.863  -0.235
   26   2HB   CYS   5          2HB       CYS   5  -5.013  -2.211   0.119
   27    H    GLY   6           H        GLY   6  -2.713  -1.315   2.485
   28   1HA   GLY   6          1HA       GLY   6  -1.699  -2.486   4.452
   29   2HA   GLY   6          2HA       GLY   6  -2.765  -3.822   4.061
   30    H    TYR   7           H        TYR   7  -2.553  -0.624   5.412
   31    HA   TYR   7           HA       TYR   7  -4.735  -1.115   7.170
   32   1HB   TYR   7          1HB       TYR   7  -4.286   1.380   7.765
   33   2HB   TYR   7          2HB       TYR   7  -3.088   0.160   8.170
   34    HD1  TYR   7           HD1      TYR   7  -3.853   2.148   5.076
   35    HD2  TYR   7           HD2      TYR   7  -0.950   0.965   7.951
   36    HE1  TYR   7           HE1      TYR   7  -2.140   3.427   3.862
   37    HE2  TYR   7           HE2      TYR   7   0.771   2.240   6.746
   38    HH   TYR   7           HH       TYR   7   0.539   4.457   5.010
   39    H    LYS   8           H        LYS   8  -5.964  -1.440   4.919
   40    HA   LYS   8           HA       LYS   8  -7.795  -0.888   3.696
   41   1HB   LYS   8          1HB       LYS   8  -8.087   1.331   5.730
   42   2HB   LYS   8          2HB       LYS   8  -9.318   0.859   4.567
   43   1HG   LYS   8          1HG       LYS   8  -9.443  -1.354   5.592
   44   2HG   LYS   8          2HG       LYS   8  -8.205  -0.882   6.757
   45   1HD   LYS   8          1HD       LYS   8  -9.681   0.898   7.585
   46   2HD   LYS   8          2HD       LYS   8 -10.922   0.391   6.438
   47   1HE   LYS   8          1HE       LYS   8  -9.776  -1.293   8.662
   48   2HE   LYS   8          2HE       LYS   8 -11.349  -0.497   8.677
   49   1HZ   LYS   8          1HZ       LYS   8 -10.508  -2.602   6.758
   50   2HZ   LYS   8          2HZ       LYS   8 -11.522  -2.841   8.091
   51   3HZ   LYS   8          3HZ       LYS   8 -12.027  -1.859   6.810
   52    H    LEU   9           H        LEU   9  -5.141   0.320   3.226
   53    HA   LEU   9           HA       LEU   9  -5.965   2.174   1.168
   54   1HB   LEU   9          1HB       LEU   9  -5.549   3.623   3.126
   55   2HB   LEU   9          2HB       LEU   9  -3.938   2.948   3.275
   56    HG   LEU   9           HG       LEU   9  -3.376   3.889   1.043
   57   1HD1  LEU   9          1HD1      LEU   9  -6.224   4.657   1.168
   58   2HD1  LEU   9          2HD1      LEU   9  -5.109   5.861   0.520
   59   3HD1  LEU   9          3HD1      LEU   9  -5.211   4.264  -0.221
   60   1HD2  LEU   9          1HD2      LEU   9  -2.939   5.055   3.227
   61   2HD2  LEU   9          2HD2      LEU   9  -3.032   6.106   1.815
   62   3HD2  LEU   9          3HD2      LEU   9  -4.396   6.002   2.928
   63    H    CYS  10           H        CYS  10  -4.667   2.006  -0.593
   64    HA   CYS  10           HA       CYS  10  -2.595  -0.026  -0.445
   65   1HB   CYS  10          1HB       CYS  10  -3.694   1.361  -2.896
   66   2HB   CYS  10          2HB       CYS  10  -2.722  -0.105  -2.855
   67    H    HIS  11           H        HIS  11  -0.498   0.308  -0.794
   68    HA   HIS  11           HA       HIS  11   0.487   2.920  -1.664
   69   1HB   HIS  11          1HB       HIS  11   0.291   3.054   0.804
   70   2HB   HIS  11          2HB       HIS  11   1.258   1.596   0.958
   71    HD1  HIS  11           HD1      HIS  11   3.825   1.899  -0.079
   72    HD2  HIS  11           HD2      HIS  11   1.719   5.328   0.989
   73    HE1  HIS  11           HE1      HIS  11   5.555   3.702   0.187
   74    H    CYS  13           H        CYS  13   4.316  -1.424  -3.273
   75    HA   CYS  13           HA       CYS  13   5.052  -1.793  -0.570
   76   1HB   CYS  13          1HB       CYS  13   6.086  -3.636  -2.666
   77   2HB   CYS  13          2HB       CYS  13   5.322  -4.003  -1.121
   78    H    ALA  14           H        ALA  14   7.073  -1.740  -3.506
   79    HA   ALA  14           HA       ALA  14   9.145  -0.269  -2.218
   80   1HB   ALA  14          1HB       ALA  14  10.880  -2.116  -2.463
   81   2HB   ALA  14          2HB       ALA  14   9.755  -2.254  -1.110
   82   3HB   ALA  14          3HB       ALA  14   9.519  -3.233  -2.558
   83    H    GLY  15           H        GLY  15   7.769   0.203  -4.533
   84   1HA   GLY  15          1HA       GLY  15   9.924   0.392  -6.428
   85   2HA   GLY  15          2HA       GLY  15   8.303   1.043  -6.623

  No H/Q in entry =          85
  Start of MODEL   14
    1    H    ASN   1           H        ASN   1   8.351  -1.095  -6.382
    2    HA   ASN   1           HA       ASN   1   7.610  -1.434  -9.140
    3   1HB   ASN   1          1HB       ASN   1   8.990  -3.197  -7.142
    4   2HB   ASN   1          2HB       ASN   1   8.478  -3.808  -8.709
    5   1HD2  ASN   1          1HD2      ASN   1  11.017  -2.569  -7.070
    6   2HD2  ASN   1          2HD2      ASN   1  11.934  -1.931  -8.384
    7    H    GLY   2           H        GLY   2   5.866  -1.584  -6.367
    8   1HA   GLY   2          1HA       GLY   2   4.454  -3.959  -6.424
    9   2HA   GLY   2          2HA       GLY   2   3.723  -2.942  -7.648
   10    H    VAL   3           H        VAL   3   1.824  -2.644  -6.685
   11    HA   VAL   3           HA       VAL   3   1.775  -0.790  -4.440
   12    HB   VAL   3           HB       VAL   3  -0.589  -1.821  -6.009
   13   1HG1  VAL   3          1HG1      VAL   3  -1.109  -0.759  -3.867
   14   2HG1  VAL   3          2HG1      VAL   3  -0.230   0.685  -4.373
   15   3HG1  VAL   3          3HG1      VAL   3  -1.694   0.198  -5.229
   16   1HG2  VAL   3          1HG2      VAL   3   1.057  -0.791  -7.527
   17   2HG2  VAL   3          2HG2      VAL   3  -0.432   0.145  -7.415
   18   3HG2  VAL   3          3HG2      VAL   3   1.011   0.676  -6.552
   19    H    CYS   4           H        CYS   4   0.934  -1.266  -2.455
   20    HA   CYS   4           HA       CYS   4  -0.095  -3.990  -2.041
   21   1HB   CYS   4          1HB       CYS   4   1.816  -2.528  -0.207
   22   2HB   CYS   4          2HB       CYS   4   1.176  -4.149   0.033
   23    H    CYS   5           H        CYS   5  -1.940  -4.071  -0.883
   24    HA   CYS   5           HA       CYS   5  -2.888  -1.571   0.314
   25   1HB   CYS   5          1HB       CYS   5  -4.463  -4.046  -0.436
   26   2HB   CYS   5          2HB       CYS   5  -5.131  -2.517   0.125
   27    H    GLY   6           H        GLY   6  -2.764  -1.396   2.417
   28   1HA   GLY   6          1HA       GLY   6  -1.949  -2.270   4.506
   29   2HA   GLY   6          2HA       GLY   6  -2.568  -3.846   4.039
   30    H    TYR   7           H        TYR   7  -3.051  -1.299   6.006
   31    HA   TYR   7           HA       TYR   7  -5.567  -2.198   6.949
   32   1HB   TYR   7          1HB       TYR   7  -5.310  -0.002   8.361
   33   2HB   TYR   7          2HB       TYR   7  -4.240  -1.370   8.652
   34    HD1  TYR   7           HD1      TYR   7  -2.073  -0.754   9.092
   35    HD2  TYR   7           HD2      TYR   7  -4.285   1.537   6.269
   36    HE1  TYR   7           HE1      TYR   7  -0.111   0.681   8.724
   37    HE2  TYR   7           HE2      TYR   7  -2.328   2.974   5.895
   38    HH   TYR   7           HH       TYR   7   0.063   3.363   7.778
   39    H    LYS   8           H        LYS   8  -6.295  -1.786   4.547
   40    HA   LYS   8           HA       LYS   8  -7.894  -0.836   3.236
   41   1HB   LYS   8          1HB       LYS   8  -8.358   1.046   5.558
   42   2HB   LYS   8          2HB       LYS   8  -9.403   0.875   4.156
   43   1HG   LYS   8          1HG       LYS   8  -9.987  -1.363   4.792
   44   2HG   LYS   8          2HG       LYS   8  -8.806  -1.341   6.104
   45   1HD   LYS   8          1HD       LYS   8 -11.238   0.435   5.881
   46   2HD   LYS   8          2HD       LYS   8 -11.075  -0.965   6.943
   47   1HE   LYS   8          1HE       LYS   8  -9.257   0.118   8.133
   48   2HE   LYS   8          2HE       LYS   8  -9.332   1.495   7.036
   49   1HZ   LYS   8          1HZ       LYS   8 -11.711   0.703   8.582
   50   2HZ   LYS   8          2HZ       LYS   8 -10.502   1.636   9.307
   51   3HZ   LYS   8          3HZ       LYS   8 -11.311   2.216   7.940
   52    H    LEU   9           H        LEU   9  -5.168  -0.045   3.144
   53    HA   LEU   9           HA       LEU   9  -5.483   2.413   1.645
   54   1HB   LEU   9          1HB       LEU   9  -4.901   3.193   3.906
   55   2HB   LEU   9          2HB       LEU   9  -3.474   2.174   3.891
   56    HG   LEU   9           HG       LEU   9  -2.601   3.501   1.973
   57   1HD1  LEU   9          1HD1      LEU   9  -5.063   5.143   2.511
   58   2HD1  LEU   9          2HD1      LEU   9  -3.668   5.742   1.614
   59   3HD1  LEU   9          3HD1      LEU   9  -4.585   4.367   1.001
   60   1HD2  LEU   9          1HD2      LEU   9  -3.249   4.971   4.521
   61   2HD2  LEU   9          2HD2      LEU   9  -1.810   4.013   4.177
   62   3HD2  LEU   9          3HD2      LEU   9  -2.085   5.529   3.320
   63    H    CYS  10           H        CYS  10  -4.591   1.999  -0.244
   64    HA   CYS  10           HA       CYS  10  -2.536  -0.049  -0.443
   65   1HB   CYS  10          1HB       CYS  10  -3.913   1.455  -2.674
   66   2HB   CYS  10          2HB       CYS  10  -2.940   0.000  -2.826
   67    H    HIS  11           H        HIS  11  -0.476   0.342  -0.817
   68    HA   HIS  11           HA       HIS  11   0.423   2.846  -1.964
   69   1HB   HIS  11          1HB       HIS  11   1.959   3.375  -0.126
   70   2HB   HIS  11          2HB       HIS  11   0.295   3.392   0.444
   71    HD1  HIS  11           HD1      HIS  11  -0.409   0.948   1.625
   72    HD2  HIS  11           HD2      HIS  11   3.611   1.999   1.503
   73    HE1  HIS  11           HE1      HIS  11   0.711  -0.466   3.376
   74    H    CYS  13           H        CYS  13   4.595  -1.456  -3.007
   75    HA   CYS  13           HA       CYS  13   5.591  -1.224  -0.328
   76   1HB   CYS  13          1HB       CYS  13   5.575  -3.368  -2.407
   77   2HB   CYS  13          2HB       CYS  13   6.719  -3.503  -1.077
   78    H    ALA  14           H        ALA  14   6.996  -1.187  -3.547
   79    HA   ALA  14           HA       ALA  14   9.304   0.207  -2.549
   80   1HB   ALA  14          1HB       ALA  14  10.594  -1.733  -4.036
   81   2HB   ALA  14          2HB       ALA  14   9.426  -2.647  -3.080
   82   3HB   ALA  14          3HB       ALA  14  10.595  -1.600  -2.277
   83    H    GLY  15           H        GLY  15   7.172   0.782  -4.310
   84   1HA   GLY  15          1HA       GLY  15   8.653   1.838  -6.516
   85   2HA   GLY  15          2HA       GLY  15   6.941   2.055  -6.207

  No H/Q in entry =          85
  Start of MODEL   15
    1    H    ASN   1           H        ASN   1   8.121  -4.163  -4.501
    2    HA   ASN   1           HA       ASN   1   7.034  -6.776  -5.113
    3   1HB   ASN   1          1HB       ASN   1   6.277  -4.752  -3.002
    4   2HB   ASN   1          2HB       ASN   1   5.496  -6.318  -3.190
    5   1HD2  ASN   1          1HD2      ASN   1   6.231  -7.849  -1.923
    6   2HD2  ASN   1          2HD2      ASN   1   7.813  -7.937  -1.240
    7    H    GLY   2           H        GLY   2   6.031  -3.397  -5.333
    8   1HA   GLY   2          1HA       GLY   2   3.703  -4.316  -6.905
    9   2HA   GLY   2          2HA       GLY   2   4.599  -2.857  -7.282
   10    H    VAL   3           H        VAL   3   1.752  -3.336  -6.566
   11    HA   VAL   3           HA       VAL   3   1.582  -1.179  -4.616
   12    HB   VAL   3           HB       VAL   3  -0.750  -2.526  -5.947
   13   1HG1  VAL   3          1HG1      VAL   3  -0.323   0.004  -4.441
   14   2HG1  VAL   3          2HG1      VAL   3  -1.588  -0.067  -5.668
   15   3HG1  VAL   3          3HG1      VAL   3  -1.618  -1.184  -4.304
   16   1HG2  VAL   3          1HG2      VAL   3   1.294  -1.183  -7.299
   17   2HG2  VAL   3          2HG2      VAL   3  -0.302  -1.600  -7.925
   18   3HG2  VAL   3          3HG2      VAL   3  -0.030  -0.024  -7.180
   19    H    CYS   4           H        CYS   4   1.094  -1.477  -2.555
   20    HA   CYS   4           HA       CYS   4   0.129  -4.133  -1.711
   21   1HB   CYS   4          1HB       CYS   4   1.721  -2.153  -0.077
   22   2HB   CYS   4          2HB       CYS   4   1.282  -3.787   0.394
   23    H    CYS   5           H        CYS   5  -1.897  -4.116  -0.975
   24    HA   CYS   5           HA       CYS   5  -2.971  -1.611   0.110
   25   1HB   CYS   5          1HB       CYS   5  -4.477  -3.955  -1.074
   26   2HB   CYS   5          2HB       CYS   5  -5.190  -2.448  -0.502
   27    H    GLY   6           H        GLY   6  -3.467  -1.551   2.191
   28   1HA   GLY   6          1HA       GLY   6  -2.850  -2.725   4.294
   29   2HA   GLY   6          2HA       GLY   6  -3.669  -4.127   3.628
   30    H    TYR   7           H        TYR   7  -3.959  -1.385   5.528
   31    HA   TYR   7           HA       TYR   7  -6.584  -2.017   6.369
   32   1HB   TYR   7          1HB       TYR   7  -6.266   0.238   7.644
   33   2HB   TYR   7          2HB       TYR   7  -5.294  -1.162   8.081
   34    HD1  TYR   7           HD1      TYR   7  -3.146  -0.598   8.653
   35    HD2  TYR   7           HD2      TYR   7  -5.019   1.554   5.495
   36    HE1  TYR   7           HE1      TYR   7  -1.094   0.718   8.334
   37    HE2  TYR   7           HE2      TYR   7  -2.971   2.871   5.169
   38    HH   TYR   7           HH       TYR   7  -0.477   2.978   7.393
   39    H    LYS   8           H        LYS   8  -7.130  -1.731   3.887
   40    HA   LYS   8           HA       LYS   8  -8.528  -0.761   2.385
   41   1HB   LYS   8          1HB       LYS   8  -9.219   1.079   4.684
   42   2HB   LYS   8          2HB       LYS   8 -10.098   0.994   3.164
   43   1HG   LYS   8          1HG       LYS   8 -10.705  -1.315   3.627
   44   2HG   LYS   8          2HG       LYS   8  -9.790  -1.262   5.135
   45   1HD   LYS   8          1HD       LYS   8 -11.263   0.513   5.960
   46   2HD   LYS   8          2HD       LYS   8 -12.180   0.452   4.452
   47   1HE   LYS   8          1HE       LYS   8 -11.870  -1.812   6.421
   48   2HE   LYS   8          2HE       LYS   8 -13.294  -0.788   6.251
   49   1HZ   LYS   8          1HZ       LYS   8 -12.809  -1.724   3.727
   50   2HZ   LYS   8          2HZ       LYS   8 -12.509  -3.062   4.720
   51   3HZ   LYS   8          3HZ       LYS   8 -14.005  -2.278   4.786
   52    H    LEU   9           H        LEU   9  -5.780   0.108   2.724
   53    HA   LEU   9           HA       LEU   9  -5.921   2.458   1.045
   54   1HB   LEU   9          1HB       LEU   9  -5.774   3.322   3.384
   55   2HB   LEU   9          2HB       LEU   9  -4.260   2.460   3.572
   56    HG   LEU   9           HG       LEU   9  -3.230   3.848   1.842
   57   1HD1  LEU   9          1HD1      LEU   9  -6.014   4.667   1.420
   58   2HD1  LEU   9          2HD1      LEU   9  -4.850   5.992   1.434
   59   3HD1  LEU   9          3HD1      LEU   9  -4.650   4.654   0.302
   60   1HD2  LEU   9          1HD2      LEU   9  -4.641   5.434   3.985
   61   2HD2  LEU   9          2HD2      LEU   9  -3.104   4.586   4.154
   62   3HD2  LEU   9          3HD2      LEU   9  -3.232   5.972   3.070
   63    H    CYS  10           H        CYS  10  -4.509   2.235  -0.552
   64    HA   CYS  10           HA       CYS  10  -2.573   0.066  -0.370
   65   1HB   CYS  10          1HB       CYS  10  -3.420   1.671  -2.788
   66   2HB   CYS  10          2HB       CYS  10  -2.462   0.193  -2.792
   67    H    HIS  11           H        HIS  11  -0.422   0.278  -0.720
   68    HA   HIS  11           HA       HIS  11   0.699   2.981  -1.025
   69   1HB   HIS  11          1HB       HIS  11   1.583   0.909   1.006
   70   2HB   HIS  11          2HB       HIS  11   2.436   2.408   0.663
   71    HD1  HIS  11           HD1      HIS  11   0.647   4.609   0.984
   72    HD2  HIS  11           HD2      HIS  11   0.054   1.144   3.200
   73    HE1  HIS  11           HE1      HIS  11  -0.758   5.299   2.949
   74    H    CYS  13           H        CYS  13   4.414  -0.848  -3.638
   75    HA   CYS  13           HA       CYS  13   6.615  -0.497  -1.716
   76   1HB   CYS  13          1HB       CYS  13   5.329  -3.051  -2.720
   77   2HB   CYS  13          2HB       CYS  13   6.601  -2.946  -1.511
   78    H    ALA  14           H        ALA  14   8.607  -0.385  -2.556
   79    HA   ALA  14           HA       ALA  14   9.084  -0.564  -5.329
   80   1HB   ALA  14          1HB       ALA  14  10.677  -0.028  -2.921
   81   2HB   ALA  14          2HB       ALA  14  11.576  -0.718  -4.273
   82   3HB   ALA  14          3HB       ALA  14  10.673   0.782  -4.488
   83    H    GLY  15           H        GLY  15   9.308  -2.312  -6.547
   84   1HA   GLY  15          1HA       GLY  15  10.767  -4.620  -5.534
   85   2HA   GLY  15          2HA       GLY  15  10.320  -4.318  -7.202

  No H/Q in entry =          85
  Start of MODEL   16
    1    H    ASN   1           H        ASN   1   6.979  -0.076  -5.663
    2    HA   ASN   1           HA       ASN   1   7.147   0.400  -8.504
    3   1HB   ASN   1          1HB       ASN   1   9.209  -0.857  -8.083
    4   2HB   ASN   1          2HB       ASN   1   8.282  -2.127  -7.287
    5   1HD2  ASN   1          1HD2      ASN   1   8.085  -3.848  -8.521
    6   2HD2  ASN   1          2HD2      ASN   1   7.873  -3.857 -10.233
    7    H    GLY   2           H        GLY   2   6.298  -2.134  -6.147
    8   1HA   GLY   2          1HA       GLY   2   4.520  -3.690  -6.410
    9   2HA   GLY   2          2HA       GLY   2   3.860  -2.669  -7.679
   10    H    VAL   3           H        VAL   3   1.817  -2.727  -6.645
   11    HA   VAL   3           HA       VAL   3   1.637  -0.807  -4.441
   12    HB   VAL   3           HB       VAL   3  -0.658  -1.871  -6.073
   13   1HG1  VAL   3          1HG1      VAL   3  -0.577  -0.328  -3.769
   14   2HG1  VAL   3          2HG1      VAL   3  -0.882   0.825  -5.069
   15   3HG1  VAL   3          3HG1      VAL   3  -1.957  -0.554  -4.844
   16   1HG2  VAL   3          1HG2      VAL   3   1.438  -0.293  -7.045
   17   2HG2  VAL   3          2HG2      VAL   3  -0.123  -0.590  -7.812
   18   3HG2  VAL   3          3HG2      VAL   3   0.095   0.816  -6.769
   19    H    CYS   4           H        CYS   4   0.940  -1.368  -2.484
   20    HA   CYS   4           HA       CYS   4  -0.205  -4.048  -2.100
   21   1HB   CYS   4          1HB       CYS   4   1.980  -2.718  -0.499
   22   2HB   CYS   4          2HB       CYS   4   1.042  -4.066   0.126
   23    H    CYS   5           H        CYS   5  -1.953  -4.124  -0.813
   24    HA   CYS   5           HA       CYS   5  -2.852  -1.605   0.376
   25   1HB   CYS   5          1HB       CYS   5  -4.464  -4.084  -0.273
   26   2HB   CYS   5          2HB       CYS   5  -5.102  -2.534   0.269
   27    H    GLY   6           H        GLY   6  -2.825  -1.411   2.493
   28   1HA   GLY   6          1HA       GLY   6  -1.753  -2.467   4.485
   29   2HA   GLY   6          2HA       GLY   6  -2.723  -3.883   4.114
   30    H    TYR   7           H        TYR   7  -2.555  -0.957   5.768
   31    HA   TYR   7           HA       TYR   7  -4.905  -1.438   7.267
   32   1HB   TYR   7          1HB       TYR   7  -4.302   0.963   8.136
   33   2HB   TYR   7          2HB       TYR   7  -3.263  -0.405   8.519
   34    HD1  TYR   7           HD1      TYR   7  -1.030   0.128   8.479
   35    HD2  TYR   7           HD2      TYR   7  -3.591   1.956   5.615
   36    HE1  TYR   7           HE1      TYR   7   0.900   1.300   7.507
   37    HE2  TYR   7           HE2      TYR   7  -1.668   3.130   4.635
   38    HH   TYR   7           HH       TYR   7   1.109   3.628   6.064
   39    H    LYS   8           H        LYS   8  -6.024  -1.428   4.966
   40    HA   LYS   8           HA       LYS   8  -7.717  -0.598   3.705
   41   1HB   LYS   8          1HB       LYS   8  -7.888   1.324   6.020
   42   2HB   LYS   8          2HB       LYS   8  -8.999   1.389   4.659
   43   1HG   LYS   8          1HG       LYS   8  -8.598  -1.020   6.421
   44   2HG   LYS   8          2HG       LYS   8  -9.889   0.168   6.617
   45   1HD   LYS   8          1HD       LYS   8  -9.422  -1.518   4.155
   46   2HD   LYS   8          2HD       LYS   8 -10.638  -1.835   5.393
   47   1HE   LYS   8          1HE       LYS   8 -11.716   0.294   4.896
   48   2HE   LYS   8          2HE       LYS   8 -10.481   0.652   3.689
   49   1HZ   LYS   8          1HZ       LYS   8 -11.769  -1.883   3.280
   50   2HZ   LYS   8          2HZ       LYS   8 -12.845  -0.580   3.206
   51   3HZ   LYS   8          3HZ       LYS   8 -11.496  -0.621   2.187
   52    H    LEU   9           H        LEU   9  -4.955   0.326   3.360
   53    HA   LEU   9           HA       LEU   9  -5.546   2.477   1.512
   54   1HB   LEU   9          1HB       LEU   9  -4.954   3.662   3.577
   55   2HB   LEU   9          2HB       LEU   9  -3.453   2.760   3.674
   56    HG   LEU   9           HG       LEU   9  -2.729   3.815   1.538
   57   1HD1  LEU   9          1HD1      LEU   9  -5.464   4.817   1.633
   58   2HD1  LEU   9          2HD1      LEU   9  -4.266   6.079   1.342
   59   3HD1  LEU   9          3HD1      LEU   9  -4.349   4.680   0.272
   60   1HD2  LEU   9          1HD2      LEU   9  -2.858   4.932   4.122
   61   2HD2  LEU   9          2HD2      LEU   9  -1.694   5.276   2.843
   62   3HD2  LEU   9          3HD2      LEU   9  -3.165   6.240   2.980
   63    H    CYS  10           H        CYS  10  -4.616   1.981  -0.333
   64    HA   CYS  10           HA       CYS  10  -2.515  -0.024  -0.380
   65   1HB   CYS  10          1HB       CYS  10  -3.891   1.317  -2.717
   66   2HB   CYS  10          2HB       CYS  10  -2.933  -0.157  -2.755
   67    H    HIS  11           H        HIS  11  -0.446   0.376  -0.836
   68    HA   HIS  11           HA       HIS  11   0.371   2.858  -2.091
   69   1HB   HIS  11          1HB       HIS  11   1.953   3.455  -0.285
   70   2HB   HIS  11          2HB       HIS  11   0.283   3.539   0.257
   71    HD1  HIS  11           HD1      HIS  11  -0.509   1.276   1.642
   72    HD2  HIS  11           HD2      HIS  11   3.567   2.051   1.370
   73    HE1  HIS  11           HE1      HIS  11   0.559  -0.082   3.468
   74    H    CYS  13           H        CYS  13   4.507  -1.380  -3.128
   75    HA   CYS  13           HA       CYS  13   5.126  -1.653  -0.339
   76   1HB   CYS  13          1HB       CYS  13   6.117  -3.716  -2.207
   77   2HB   CYS  13          2HB       CYS  13   5.136  -3.889  -0.754
   78    H    ALA  14           H        ALA  14   6.952  -1.287  -3.309
   79    HA   ALA  14           HA       ALA  14   9.292  -0.521  -1.777
   80   1HB   ALA  14          1HB       ALA  14  10.580  -2.055  -3.562
   81   2HB   ALA  14          2HB       ALA  14  10.109  -2.629  -1.962
   82   3HB   ALA  14          3HB       ALA  14   9.109  -3.008  -3.364
   83    H    GLY  15           H        GLY  15   7.507   0.964  -3.303
   84   1HA   GLY  15          1HA       GLY  15   9.266   2.430  -4.936
   85   2HA   GLY  15          2HA       GLY  15   7.533   2.674  -4.830

  No H/Q in entry =          85
  Start of MODEL   17
    1    H    ASN   1           H        ASN   1   7.981  -2.348  -5.535
    2    HA   ASN   1           HA       ASN   1   8.318  -3.685  -8.080
    3   1HB   ASN   1          1HB       ASN   1   7.760  -5.732  -6.851
    4   2HB   ASN   1          2HB       ASN   1   9.006  -4.825  -5.998
    5   1HD2  ASN   1          1HD2      ASN   1   6.357  -6.600  -5.514
    6   2HD2  ASN   1          2HD2      ASN   1   5.766  -5.896  -4.051
    7    H    GLY   2           H        GLY   2   5.806  -2.444  -6.042
    8   1HA   GLY   2          1HA       GLY   2   3.605  -3.772  -7.206
    9   2HA   GLY   2          2HA       GLY   2   3.888  -2.243  -8.032
   10    H    VAL   3           H        VAL   3   1.554  -2.801  -6.585
   11    HA   VAL   3           HA       VAL   3   1.831  -0.877  -4.377
   12    HB   VAL   3           HB       VAL   3  -0.719  -1.533  -5.843
   13   1HG1  VAL   3          1HG1      VAL   3   0.023   0.224  -3.631
   14   2HG1  VAL   3          2HG1      VAL   3  -0.932   1.011  -4.887
   15   3HG1  VAL   3          3HG1      VAL   3  -1.550  -0.433  -4.083
   16   1HG2  VAL   3          1HG2      VAL   3   1.144  -0.534  -7.292
   17   2HG2  VAL   3          2HG2      VAL   3  -0.422   0.278  -7.295
   18   3HG2  VAL   3          3HG2      VAL   3   0.912   0.935  -6.345
   19    H    CYS   4           H        CYS   4   1.159  -1.430  -2.389
   20    HA   CYS   4           HA       CYS   4  -0.102  -4.069  -2.057
   21   1HB   CYS   4          1HB       CYS   4   2.032  -2.735  -0.392
   22   2HB   CYS   4          2HB       CYS   4   1.090  -4.097   0.193
   23    H    CYS   5           H        CYS   5  -1.905  -4.132  -0.850
   24    HA   CYS   5           HA       CYS   5  -2.812  -1.611   0.340
   25   1HB   CYS   5          1HB       CYS   5  -4.471  -4.035  -0.389
   26   2HB   CYS   5          2HB       CYS   5  -5.067  -2.444   0.077
   27    H    GLY   6           H        GLY   6  -2.700  -1.465   2.462
   28   1HA   GLY   6          1HA       GLY   6  -2.161  -2.197   4.625
   29   2HA   GLY   6          2HA       GLY   6  -2.289  -3.856   4.068
   30    H    TYR   7           H        TYR   7  -4.490  -1.083   4.248
   31    HA   TYR   7           HA       TYR   7  -6.701  -2.761   4.959
   32   1HB   TYR   7          1HB       TYR   7  -7.038  -1.199   7.092
   33   2HB   TYR   7          2HB       TYR   7  -6.147  -2.711   7.182
   34    HD1  TYR   7           HD1      TYR   7  -4.255  -2.620   8.466
   35    HD2  TYR   7           HD2      TYR   7  -5.359   0.857   6.276
   36    HE1  TYR   7           HE1      TYR   7  -2.308  -1.433   9.379
   37    HE2  TYR   7           HE2      TYR   7  -3.411   2.051   7.181
   38    HH   TYR   7           HH       TYR   7  -1.945   1.721   9.460
   39    H    LYS   8           H        LYS   8  -7.800  -1.954   3.308
   40    HA   LYS   8           HA       LYS   8  -8.952  -0.570   1.946
   41   1HB   LYS   8          1HB       LYS   8 -10.513   0.902   2.943
   42   2HB   LYS   8          2HB       LYS   8 -10.286  -0.405   4.091
   43   1HG   LYS   8          1HG       LYS   8  -8.933   0.975   5.497
   44   2HG   LYS   8          2HG       LYS   8  -8.904   2.259   4.288
   45   1HD   LYS   8          1HD       LYS   8 -11.385   2.428   4.523
   46   2HD   LYS   8          2HD       LYS   8 -11.279   1.288   5.869
   47   1HE   LYS   8          1HE       LYS   8 -11.344   3.626   6.631
   48   2HE   LYS   8          2HE       LYS   8  -9.846   2.814   7.088
   49   1HZ   LYS   8          1HZ       LYS   8  -8.963   3.837   4.907
   50   2HZ   LYS   8          2HZ       LYS   8 -10.272   4.899   5.051
   51   3HZ   LYS   8          3HZ       LYS   8  -9.108   4.825   6.274
   52    H    LEU   9           H        LEU   9  -6.134  -0.056   2.380
   53    HA   LEU   9           HA       LEU   9  -5.967   2.484   1.021
   54   1HB   LEU   9          1HB       LEU   9  -5.781   3.104   3.409
   55   2HB   LEU   9          2HB       LEU   9  -4.457   1.971   3.593
   56    HG   LEU   9           HG       LEU   9  -3.128   3.312   1.979
   57   1HD1  LEU   9          1HD1      LEU   9  -5.312   4.321   0.995
   58   2HD1  LEU   9          2HD1      LEU   9  -5.121   5.516   2.277
   59   3HD1  LEU   9          3HD1      LEU   9  -3.851   5.304   1.071
   60   1HD2  LEU   9          1HD2      LEU   9  -3.372   3.664   4.595
   61   2HD2  LEU   9          2HD2      LEU   9  -2.357   4.709   3.602
   62   3HD2  LEU   9          3HD2      LEU   9  -3.972   5.237   4.070
   63    H    CYS  10           H        CYS  10  -4.440   2.330  -0.534
   64    HA   CYS  10           HA       CYS  10  -2.584   0.056  -0.335
   65   1HB   CYS  10          1HB       CYS  10  -3.646   1.297  -2.879
   66   2HB   CYS  10          2HB       CYS  10  -2.685  -0.169  -2.733
   67    H    HIS  11           H        HIS  11  -0.472   0.344  -0.858
   68    HA   HIS  11           HA       HIS  11   0.483   2.928  -1.811
   69   1HB   HIS  11          1HB       HIS  11   0.319   3.169   0.663
   70   2HB   HIS  11          2HB       HIS  11   1.350   1.759   0.853
   71    HD1  HIS  11           HD1      HIS  11   1.557   5.207  -0.757
   72    HD2  HIS  11           HD2      HIS  11   3.965   2.393   1.133
   73    HE1  HIS  11           HE1      HIS  11   3.828   6.273  -0.581
   74    H    CYS  13           H        CYS  13   4.343  -1.425  -3.077
   75    HA   CYS  13           HA       CYS  13   5.126  -1.574  -0.371
   76   1HB   CYS  13          1HB       CYS  13   6.178  -3.620  -2.220
   77   2HB   CYS  13          2HB       CYS  13   5.239  -3.809  -0.741
   78    H    ALA  14           H        ALA  14   7.105  -1.814  -3.320
   79    HA   ALA  14           HA       ALA  14   9.222  -0.271  -2.176
   80   1HB   ALA  14          1HB       ALA  14  10.930  -2.004  -2.110
   81   2HB   ALA  14          2HB       ALA  14   9.607  -2.401  -1.013
   82   3HB   ALA  14          3HB       ALA  14   9.737  -3.219  -2.569
   83    H    GLY  15           H        GLY  15   7.753   0.037  -4.478
   84   1HA   GLY  15          1HA       GLY  15   9.846   0.147  -6.445
   85   2HA   GLY  15          2HA       GLY  15   8.200   0.732  -6.640

  No H/Q in entry =          85
  Start of MODEL   18
    1    H    ASN   1           H        ASN   1   8.151  -1.310  -5.990
    2    HA   ASN   1           HA       ASN   1   8.074  -1.798  -8.834
    3   1HB   ASN   1          1HB       ASN   1   8.690  -4.077  -8.293
    4   2HB   ASN   1          2HB       ASN   1   9.702  -2.977  -7.366
    5   1HD2  ASN   1          1HD2      ASN   1   8.184  -5.787  -7.148
    6   2HD2  ASN   1          2HD2      ASN   1   7.779  -5.813  -5.469
    7    H    GLY   2           H        GLY   2   5.950  -1.990  -6.129
    8   1HA   GLY   2          1HA       GLY   2   4.157  -3.949  -6.779
    9   2HA   GLY   2          2HA       GLY   2   3.729  -2.604  -7.825
   10    H    VAL   3           H        VAL   3   1.728  -2.437  -6.783
   11    HA   VAL   3           HA       VAL   3   1.848  -0.818  -4.381
   12    HB   VAL   3           HB       VAL   3   0.480   0.036  -6.159
   13   1HG1  VAL   3          1HG1      VAL   3  -0.489  -2.704  -6.301
   14   2HG1  VAL   3          2HG1      VAL   3  -1.782  -1.506  -6.349
   15   3HG1  VAL   3          3HG1      VAL   3  -0.476  -1.441  -7.533
   16   1HG2  VAL   3          1HG2      VAL   3  -0.653  -0.658  -3.566
   17   2HG2  VAL   3          2HG2      VAL   3  -0.608   0.890  -4.410
   18   3HG2  VAL   3          3HG2      VAL   3  -1.862  -0.289  -4.797
   19    H    CYS   4           H        CYS   4   1.061  -1.348  -2.457
   20    HA   CYS   4           HA       CYS   4  -0.144  -4.015  -2.116
   21   1HB   CYS   4          1HB       CYS   4   1.855  -2.735  -0.236
   22   2HB   CYS   4          2HB       CYS   4   1.181  -4.355  -0.118
   23    H    CYS   5           H        CYS   5  -1.957  -4.021  -0.844
   24    HA   CYS   5           HA       CYS   5  -2.675  -1.473   0.401
   25   1HB   CYS   5          1HB       CYS   5  -4.113  -3.024  -1.356
   26   2HB   CYS   5          2HB       CYS   5  -4.774  -3.514   0.203
   27    H    GLY   6           H        GLY   6  -2.968  -1.331   2.528
   28   1HA   GLY   6          1HA       GLY   6  -1.876  -2.528   4.499
   29   2HA   GLY   6          2HA       GLY   6  -2.966  -3.839   4.087
   30    H    TYR   7           H        TYR   7  -2.678  -0.693   5.521
   31    HA   TYR   7           HA       TYR   7  -4.933  -1.134   7.190
   32   1HB   TYR   7          1HB       TYR   7  -4.399   1.298   7.910
   33   2HB   TYR   7          2HB       TYR   7  -3.239   0.026   8.264
   34    HD1  TYR   7           HD1      TYR   7  -3.878   2.119   5.210
   35    HD2  TYR   7           HD2      TYR   7  -1.102   0.858   8.177
   36    HE1  TYR   7           HE1      TYR   7  -2.112   3.419   4.102
   37    HE2  TYR   7           HE2      TYR   7   0.672   2.156   7.075
   38    HH   TYR   7           HH       TYR   7   0.384   4.491   5.261
   39    H    LYS   8           H        LYS   8  -6.112  -1.331   4.900
   40    HA   LYS   8           HA       LYS   8  -7.878  -0.650   3.650
   41   1HB   LYS   8          1HB       LYS   8  -8.090   1.406   5.847
   42   2HB   LYS   8          2HB       LYS   8  -9.257   1.280   4.539
   43   1HG   LYS   8          1HG       LYS   8  -9.773  -1.012   5.221
   44   2HG   LYS   8          2HG       LYS   8  -8.612  -0.872   6.543
   45   1HD   LYS   8          1HD       LYS   8 -10.928  -0.505   7.292
   46   2HD   LYS   8          2HD       LYS   8  -9.915   0.917   7.537
   47   1HE   LYS   8          1HE       LYS   8 -12.122   1.514   6.652
   48   2HE   LYS   8          2HE       LYS   8 -10.829   1.943   5.533
   49   1HZ   LYS   8          1HZ       LYS   8 -11.809  -0.683   5.033
   50   2HZ   LYS   8          2HZ       LYS   8 -13.061   0.452   4.966
   51   3HZ   LYS   8          3HZ       LYS   8 -11.699   0.640   3.982
   52    H    LEU   9           H        LEU   9  -5.161   0.448   3.271
   53    HA   LEU   9           HA       LEU   9  -5.870   2.400   1.262
   54   1HB   LEU   9          1HB       LEU   9  -5.405   3.776   3.260
   55   2HB   LEU   9          2HB       LEU   9  -3.831   3.020   3.408
   56    HG   LEU   9           HG       LEU   9  -3.199   3.981   1.205
   57   1HD1  LEU   9          1HD1      LEU   9  -6.007   4.614   1.149
   58   2HD1  LEU   9          2HD1      LEU   9  -5.030   6.067   0.933
   59   3HD1  LEU   9          3HD1      LEU   9  -4.811   4.688  -0.145
   60   1HD2  LEU   9          1HD2      LEU   9  -4.078   5.862   3.385
   61   2HD2  LEU   9          2HD2      LEU   9  -2.483   5.147   3.150
   62   3HD2  LEU   9          3HD2      LEU   9  -3.086   6.352   2.012
   63    H    CYS  10           H        CYS  10  -4.723   2.010  -0.514
   64    HA   CYS  10           HA       CYS  10  -2.656  -0.018  -0.371
   65   1HB   CYS  10          1HB       CYS  10  -3.763   1.338  -2.835
   66   2HB   CYS  10          2HB       CYS  10  -2.848  -0.158  -2.768
   67    H    HIS  11           H        HIS  11  -0.541   0.292  -0.809
   68    HA   HIS  11           HA       HIS  11   0.410   2.788  -1.923
   69   1HB   HIS  11          1HB       HIS  11   1.969   3.252  -0.062
   70   2HB   HIS  11          2HB       HIS  11   0.292   3.396   0.431
   71    HD1  HIS  11           HD1      HIS  11   1.858   3.176   2.778
   72    HD2  HIS  11           HD2      HIS  11   0.981  -0.269   0.629
   73    HE1  HIS  11           HE1      HIS  11   2.208   1.277   4.381
   74    H    CYS  13           H        CYS  13   4.516  -1.529  -2.957
   75    HA   CYS  13           HA       CYS  13   5.485  -1.430  -0.291
   76   1HB   CYS  13          1HB       CYS  13   5.586  -3.414  -2.511
   77   2HB   CYS  13          2HB       CYS  13   6.725  -3.608  -1.185
   78    H    ALA  14           H        ALA  14   7.082  -1.298  -3.444
   79    HA   ALA  14           HA       ALA  14   9.245   0.223  -2.315
   80   1HB   ALA  14          1HB       ALA  14  10.449  -1.968  -3.775
   81   2HB   ALA  14          2HB       ALA  14   9.563  -2.539  -2.361
   82   3HB   ALA  14          3HB       ALA  14  10.839  -1.335  -2.176
   83    H    GLY  15           H        GLY  15   7.234   0.670  -4.245
   84   1HA   GLY  15          1HA       GLY  15   8.841   1.738  -6.357
   85   2HA   GLY  15          2HA       GLY  15   7.099   1.887  -6.199

  No H/Q in entry =          85
  Start of MODEL   19
    1    H    ASN   1           H        ASN   1   8.269  -1.078  -5.943
    2    HA   ASN   1           HA       ASN   1   7.864  -1.109  -8.791
    3   1HB   ASN   1          1HB       ASN   1   8.288  -3.638  -8.439
    4   2HB   ASN   1          2HB       ASN   1   9.617  -2.514  -8.210
    5   1HD2  ASN   1          1HD2      ASN   1  10.841  -3.214  -6.630
    6   2HD2  ASN   1          2HD2      ASN   1  10.296  -3.829  -5.112
    7    H    GLY   2           H        GLY   2   6.173  -2.274  -5.919
    8   1HA   GLY   2          1HA       GLY   2   4.340  -3.983  -6.539
    9   2HA   GLY   2          2HA       GLY   2   3.848  -2.725  -7.657
   10    H    VAL   3           H        VAL   3   1.878  -2.461  -6.740
   11    HA   VAL   3           HA       VAL   3   1.846  -0.814  -4.345
   12    HB   VAL   3           HB       VAL   3  -0.518  -1.578  -6.058
   13   1HG1  VAL   3          1HG1      VAL   3  -0.080   0.209  -3.782
   14   2HG1  VAL   3          2HG1      VAL   3  -0.970   0.934  -5.121
   15   3HG1  VAL   3          3HG1      VAL   3  -1.563  -0.546  -4.368
   16   1HG2  VAL   3          1HG2      VAL   3   1.721   0.000  -6.815
   17   2HG2  VAL   3          2HG2      VAL   3   0.239  -0.316  -7.718
   18   3HG2  VAL   3          3HG2      VAL   3   0.328   1.065  -6.627
   19    H    CYS   4           H        CYS   4   0.940  -1.404  -2.440
   20    HA   CYS   4           HA       CYS   4  -0.402  -4.001  -2.278
   21   1HB   CYS   4          1HB       CYS   4   0.900  -4.457  -0.166
   22   2HB   CYS   4          2HB       CYS   4   1.853  -4.512  -1.641
   23    H    CYS   5           H        CYS   5  -2.079  -4.053  -0.818
   24    HA   CYS   5           HA       CYS   5  -2.727  -1.474   0.406
   25   1HB   CYS   5          1HB       CYS   5  -4.587  -3.814  -0.030
   26   2HB   CYS   5          2HB       CYS   5  -5.024  -2.147   0.334
   27    H    GLY   6           H        GLY   6  -2.333  -1.269   2.464
   28   1HA   GLY   6          1HA       GLY   6  -1.476  -2.071   4.528
   29   2HA   GLY   6          2HA       GLY   6  -2.118  -3.661   4.149
   30    H    TYR   7           H        TYR   7  -2.550  -0.875   5.907
   31    HA   TYR   7           HA       TYR   7  -4.891  -1.821   7.197
   32   1HB   TYR   7          1HB       TYR   7  -4.700   0.530   8.322
   33   2HB   TYR   7          2HB       TYR   7  -3.484  -0.700   8.648
   34    HD1  TYR   7           HD1      TYR   7  -3.996   1.872   5.953
   35    HD2  TYR   7           HD2      TYR   7  -1.374   0.175   8.842
   36    HE1  TYR   7           HE1      TYR   7  -2.223   3.420   5.247
   37    HE2  TYR   7           HE2      TYR   7   0.405   1.721   8.144
   38    HH   TYR   7           HH       TYR   7   0.286   4.229   6.908
   39    H    LYS   8           H        LYS   8  -5.868  -1.773   4.853
   40    HA   LYS   8           HA       LYS   8  -7.632  -1.095   3.588
   41   1HB   LYS   8          1HB       LYS   8  -8.054   0.793   5.902
   42   2HB   LYS   8          2HB       LYS   8  -9.133   0.723   4.518
   43   1HG   LYS   8          1HG       LYS   8  -9.678  -1.579   5.020
   44   2HG   LYS   8          2HG       LYS   8  -8.528  -1.581   6.358
   45   1HD   LYS   8          1HD       LYS   8 -10.783  -1.288   7.203
   46   2HD   LYS   8          2HD       LYS   8  -9.844   0.179   7.470
   47   1HE   LYS   8          1HE       LYS   8 -11.629  -0.160   5.073
   48   2HE   LYS   8          2HE       LYS   8 -12.244   0.435   6.614
   49   1HZ   LYS   8          1HZ       LYS   8 -10.265   2.095   6.375
   50   2HZ   LYS   8          2HZ       LYS   8 -10.392   1.722   4.729
   51   3HZ   LYS   8          3HZ       LYS   8 -11.716   2.379   5.551
   52    H    LEU   9           H        LEU   9  -4.998  -0.003   3.253
   53    HA   LEU   9           HA       LEU   9  -5.688   2.204   1.514
   54   1HB   LEU   9          1HB       LEU   9  -5.119   3.308   3.646
   55   2HB   LEU   9          2HB       LEU   9  -3.575   2.479   3.660
   56    HG   LEU   9           HG       LEU   9  -2.949   3.679   1.578
   57   1HD1  LEU   9          1HD1      LEU   9  -5.674   4.843   1.962
   58   2HD1  LEU   9          2HD1      LEU   9  -4.403   5.793   1.191
   59   3HD1  LEU   9          3HD1      LEU   9  -4.903   4.253   0.490
   60   1HD2  LEU   9          1HD2      LEU   9  -3.226   4.743   4.223
   61   2HD2  LEU   9          2HD2      LEU   9  -1.953   5.023   3.034
   62   3HD2  LEU   9          3HD2      LEU   9  -3.396   6.037   3.035
   63    H    CYS  10           H        CYS  10  -4.639   1.943  -0.351
   64    HA   CYS  10           HA       CYS  10  -2.550  -0.075  -0.466
   65   1HB   CYS  10          1HB       CYS  10  -3.850   1.389  -2.765
   66   2HB   CYS  10          2HB       CYS  10  -2.903  -0.091  -2.844
   67    H    HIS  11           H        HIS  11  -0.488   0.304  -0.873
   68    HA   HIS  11           HA       HIS  11   0.430   2.884  -1.871
   69   1HB   HIS  11          1HB       HIS  11   0.259   3.171   0.593
   70   2HB   HIS  11          2HB       HIS  11   1.282   1.758   0.818
   71    HD1  HIS  11           HD1      HIS  11   1.522   5.184  -0.833
   72    HD2  HIS  11           HD2      HIS  11   3.894   2.383   1.119
   73    HE1  HIS  11           HE1      HIS  11   3.795   6.243  -0.641
   74    H    CYS  13           H        CYS  13   4.391  -1.478  -2.874
   75    HA   CYS  13           HA       CYS  13   5.288  -1.297  -0.170
   76   1HB   CYS  13          1HB       CYS  13   4.947  -3.425  -2.167
   77   2HB   CYS  13          2HB       CYS  13   6.276  -3.694  -1.044
   78    H    ALA  14           H        ALA  14   6.888  -1.288  -3.289
   79    HA   ALA  14           HA       ALA  14   9.257  -0.228  -2.039
   80   1HB   ALA  14          1HB       ALA  14   9.852  -2.531  -3.808
   81   2HB   ALA  14          2HB       ALA  14   9.288  -2.889  -2.176
   82   3HB   ALA  14          3HB       ALA  14  10.741  -1.916  -2.414
   83    H    GLY  15           H        GLY  15   7.292   0.717  -3.847
   84   1HA   GLY  15          1HA       GLY  15   9.003   1.858  -5.835
   85   2HA   GLY  15          2HA       GLY  15   7.294   2.185  -5.617

  No H/Q in entry =          85
  Start of MODEL   20
    1    H    ASN   1           H        ASN   1   8.146  -1.373  -6.129
    2    HA   ASN   1           HA       ASN   1   7.988  -2.076  -8.919
    3   1HB   ASN   1          1HB       ASN   1   9.683  -3.122  -7.445
    4   2HB   ASN   1          2HB       ASN   1   8.388  -3.855  -6.506
    5   1HD2  ASN   1          1HD2      ASN   1   7.985  -5.886  -6.995
    6   2HD2  ASN   1          2HD2      ASN   1   8.238  -6.635  -8.529
    7    H    GLY   2           H        GLY   2   5.932  -2.102  -6.146
    8   1HA   GLY   2          1HA       GLY   2   4.159  -4.123  -6.598
    9   2HA   GLY   2          2HA       GLY   2   3.700  -2.890  -7.761
   10    H    VAL   3           H        VAL   3   1.709  -2.668  -6.732
   11    HA   VAL   3           HA       VAL   3   1.767  -0.814  -4.494
   12    HB   VAL   3           HB       VAL   3  -0.685  -1.806  -5.944
   13   1HG1  VAL   3          1HG1      VAL   3  -0.234   0.002  -3.790
   14   2HG1  VAL   3          2HG1      VAL   3  -0.883   0.897  -5.164
   15   3HG1  VAL   3          3HG1      VAL   3  -1.760  -0.492  -4.524
   16   1HG2  VAL   3          1HG2      VAL   3   1.438  -0.331  -7.082
   17   2HG2  VAL   3          2HG2      VAL   3  -0.142  -0.685  -7.784
   18   3HG2  VAL   3          3HG2      VAL   3   0.095   0.788  -6.844
   19    H    CYS   4           H        CYS   4   1.035  -1.285  -2.479
   20    HA   CYS   4           HA       CYS   4  -0.028  -3.992  -2.025
   21   1HB   CYS   4          1HB       CYS   4   1.897  -2.493  -0.229
   22   2HB   CYS   4          2HB       CYS   4   1.285  -4.124   0.024
   23    H    CYS   5           H        CYS   5  -1.888  -4.043  -0.884
   24    HA   CYS   5           HA       CYS   5  -2.801  -1.524   0.299
   25   1HB   CYS   5          1HB       CYS   5  -4.447  -3.963  -0.406
   26   2HB   CYS   5          2HB       CYS   5  -5.053  -2.374   0.050
   27    H    GLY   6           H        GLY   6  -2.725  -1.341   2.404
   28   1HA   GLY   6          1HA       GLY   6  -1.913  -2.235   4.493
   29   2HA   GLY   6          2HA       GLY   6  -2.575  -3.794   4.032
   30    H    TYR   7           H        TYR   7  -3.039  -1.037   5.827
   31    HA   TYR   7           HA       TYR   7  -5.483  -1.944   6.939
   32   1HB   TYR   7          1HB       TYR   7  -5.303   0.369   8.138
   33   2HB   TYR   7          2HB       TYR   7  -4.144  -0.901   8.505
   34    HD1  TYR   7           HD1      TYR   7  -4.416   1.753   5.855
   35    HD2  TYR   7           HD2      TYR   7  -2.028  -0.090   8.857
   36    HE1  TYR   7           HE1      TYR   7  -2.564   3.271   5.306
   37    HE2  TYR   7           HE2      TYR   7  -0.170   1.426   8.315
   38    HH   TYR   7           HH       TYR   7  -0.100   3.925   7.180
   39    H    LYS   8           H        LYS   8  -6.298  -1.804   4.530
   40    HA   LYS   8           HA       LYS   8  -7.946  -1.052   3.166
   41   1HB   LYS   8          1HB       LYS   8  -8.539   0.673   5.564
   42   2HB   LYS   8          2HB       LYS   8  -9.457   0.827   4.074
   43   1HG   LYS   8          1HG       LYS   8 -10.705  -0.572   5.508
   44   2HG   LYS   8          2HG       LYS   8 -10.003  -1.616   4.272
   45   1HD   LYS   8          1HD       LYS   8  -8.260  -2.310   5.817
   46   2HD   LYS   8          2HD       LYS   8  -8.889  -1.213   7.048
   47   1HE   LYS   8          1HE       LYS   8 -10.374  -3.552   5.853
   48   2HE   LYS   8          2HE       LYS   8  -9.591  -3.534   7.434
   49   1HZ   LYS   8          1HZ       LYS   8 -11.242  -1.331   7.396
   50   2HZ   LYS   8          2HZ       LYS   8 -12.156  -2.570   6.694
   51   3HZ   LYS   8          3HZ       LYS   8 -11.498  -2.775   8.239
   52    H    LEU   9           H        LEU   9  -5.294  -0.019   3.051
   53    HA   LEU   9           HA       LEU   9  -5.803   2.263   1.348
   54   1HB   LEU   9          1HB       LEU   9  -5.338   3.274   3.553
   55   2HB   LEU   9          2HB       LEU   9  -3.822   2.398   3.629
   56    HG   LEU   9           HG       LEU   9  -3.034   3.652   1.636
   57   1HD1  LEU   9          1HD1      LEU   9  -5.800   4.578   1.681
   58   2HD1  LEU   9          2HD1      LEU   9  -4.619   5.880   1.528
   59   3HD1  LEU   9          3HD1      LEU   9  -4.629   4.557   0.361
   60   1HD2  LEU   9          1HD2      LEU   9  -2.567   4.371   3.977
   61   2HD2  LEU   9          2HD2      LEU   9  -2.549   5.684   2.800
   62   3HD2  LEU   9          3HD2      LEU   9  -3.942   5.468   3.861
   63    H    CYS  10           H        CYS  10  -4.618   2.053  -0.447
   64    HA   CYS  10           HA       CYS  10  -2.576  -0.026  -0.468
   65   1HB   CYS  10          1HB       CYS  10  -3.796   1.439  -2.814
   66   2HB   CYS  10          2HB       CYS  10  -2.796  -0.005  -2.878
   67    H    HIS  11           H        HIS  11  -0.502   0.330  -0.767
   68    HA   HIS  11           HA       HIS  11   0.490   2.887  -1.748
   69   1HB   HIS  11          1HB       HIS  11   0.246   3.154   0.724
   70   2HB   HIS  11          2HB       HIS  11   1.285   1.755   0.955
   71    HD1  HIS  11           HD1      HIS  11   3.820   2.129  -0.167
   72    HD2  HIS  11           HD2      HIS  11   1.567   5.496   0.790
   73    HE1  HIS  11           HE1      HIS  11   5.461   4.027  -0.033
   74    H    CYS  13           H        CYS  13   4.532  -1.488  -2.944
   75    HA   CYS  13           HA       CYS  13   5.590  -1.204  -0.320
   76   1HB   CYS  13          1HB       CYS  13   5.700  -3.331  -2.416
   77   2HB   CYS  13          2HB       CYS  13   6.816  -3.419  -1.058
   78    H    ALA  14           H        ALA  14   7.047  -1.162  -3.540
   79    HA   ALA  14           HA       ALA  14   9.208   0.455  -2.584
   80   1HB   ALA  14          1HB       ALA  14  10.921  -1.268  -3.557
   81   2HB   ALA  14          2HB       ALA  14  10.342  -1.432  -1.898
   82   3HB   ALA  14          3HB       ALA  14   9.656  -2.437  -3.174
   83    H    GLY  15           H        GLY  15   7.184   0.747  -4.512
   84   1HA   GLY  15          1HA       GLY  15   8.758   1.630  -6.729
   85   2HA   GLY  15          2HA       GLY  15   7.019   1.790  -6.558

  No H/Q in entry =          85
  Start of MODEL   21
    1    H    ASN   1           H        ASN   1   7.930  -2.224  -5.651
    2    HA   ASN   1           HA       ASN   1   7.686  -3.489  -7.498
    3   1HB   ASN   1          1HB       ASN   1   8.001  -4.329  -6.127
    4   2HB   ASN   1          2HB       ASN   1   7.912  -4.222  -5.864
    5   1HD2  ASN   1          1HD2      ASN   1   7.317  -5.296  -5.541
    6   2HD2  ASN   1          2HD2      ASN   1   7.182  -5.551  -5.192
    7    H    GLY   2           H        GLY   2   5.955  -2.553  -5.825
    8   1HA   GLY   2          1HA       GLY   2   3.975  -3.929  -6.873
    9   2HA   GLY   2          2HA       GLY   2   4.106  -2.577  -7.662
   10    H    VAL   3           H        VAL   3   1.741  -2.837  -6.665
   11    HA   VAL   3           HA       VAL   3   1.717  -0.922  -4.478
   12    H    CYS   4           H        CYS   4   0.999  -1.383  -2.498
   13    HA   CYS   4           HA       CYS   4  -0.099  -4.058  -2.007
   14   1HB   CYS   4          1HB       CYS   4   1.753  -2.786  -0.239
   15   2HB   CYS   4          2HB       CYS   4   1.305  -4.104  -0.101
   16    H    CYS   5           H        CYS   5  -1.943  -4.084  -0.880
   17    HA   CYS   5           HA       CYS   5  -2.837  -1.561   0.303
   18   1HB   CYS   5          1HB       CYS   5  -4.468  -3.926  -0.518
   19   2HB   CYS   5          2HB       CYS   5  -5.082  -2.461   0.034
   20    H    GLY   6           H        GLY   6  -2.900  -1.416   2.411
   21   1HA   GLY   6          1HA       GLY   6  -2.036  -2.472   4.448
   22   2HA   GLY   6          2HA       GLY   6  -2.867  -3.901   3.980
   23    H    TYR   7           H        TYR   7  -3.057  -1.046   5.590
   24    HA   TYR   7           HA       TYR   7  -5.434  -1.733   6.851
   25   1HB   TYR   7          1HB       TYR   7  -5.070   0.563   7.921
   26   2HB   TYR   7          2HB       TYR   7  -4.003  -0.777   8.288
   27    HH   TYR   7           HH       TYR   7   0.151   3.602   6.612
   28    H    LYS   8           H        LYS   8  -6.400  -1.631   4.578
   29    HA   LYS   8           HA       LYS   8  -7.990  -0.807   3.226
   30    H    LEU   9           H        LEU   9  -5.299   0.155   3.093
   31    HA   LEU   9           HA       LEU   9  -5.764   2.368   1.347
   32   1HB   LEU   9          1HB       LEU   9  -5.316   3.426   3.501
   33   2HB   LEU   9          2HB       LEU   9  -3.819   2.535   3.606
   34    HG   LEU   9           HG       LEU   9  -3.000   3.699   1.603
   35   1HD1  LEU   9          1HD1      LEU   9  -5.119   4.996   1.209
   36   2HD1  LEU   9          2HD1      LEU   9  -4.848   5.225   1.210
   37   3HD1  LEU   9          3HD1      LEU   9  -4.876   4.976   0.954
   38   1HD2  LEU   9          1HD2      LEU   9  -2.949   5.113   3.571
   39   2HD2  LEU   9          2HD2      LEU   9  -2.860   5.303   3.314
   40   3HD2  LEU   9          3HD2      LEU   9  -3.147   5.363   3.480
   41    H    CYS  10           H        CYS  10  -4.581   2.095  -0.424
   42    HA   CYS  10           HA       CYS  10  -2.566  -0.002  -0.405
   43   1HB   CYS  10          1HB       CYS  10  -3.746   1.446  -2.773
   44   2HB   CYS  10          2HB       CYS  10  -2.778  -0.020  -2.807
   45    H    HIS  11           H        HIS  11  -0.470   0.327  -0.789
   46    HA   HIS  11           HA       HIS  11   0.479   2.905  -1.710
   47    H    CYS  13           H        CYS  13   4.529  -1.259  -3.250
   48    HA   CYS  13           HA       CYS  13   5.684  -1.218  -0.715
   49   1HB   CYS  13          1HB       CYS  13   5.615  -3.379  -2.424
   50   2HB   CYS  13          2HB       CYS  13   6.086  -3.539  -1.111
   51    H    ALA  14           H        ALA  14   7.526  -1.330  -2.882
   52    HA   ALA  14           HA       ALA  14   9.271  -0.441  -2.926
   53   1HB   ALA  14          1HB       ALA  14  10.431  -1.721  -2.731
   54   2HB   ALA  14          2HB       ALA  14  10.368  -1.930  -2.648
   55   3HB   ALA  14          3HB       ALA  14  10.193  -1.785  -2.546
   56    H    GLY  15           H        GLY  15   8.259  -0.456  -4.681
   57   1HA   GLY  15          1HA       GLY  15   9.989  -0.713  -5.737
   58   2HA   GLY  15          2HA       GLY  15   8.679  -0.323  -6.229

  No H/Q in entry =          58