*HEADER    TOXIN                                   26-FEB-07   2EFZ              
*TITLE     SOLUTION STRUCTURE OF AN M-1 CONOTOXIN WITH A NOVEL                   
*TITLE    2 DISULFIDE LINKAGE                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: M CONOTOXIN MR3.4;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-16;                                             
*COMPND   5 SYNONYM: M-1 CONOTOXIN;                                              
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SAMPLE IS SYNTHESIZED CHEMICALLY. THIS            
*SOURCE   4 SEQUENCE OCCURS NATURALLY IN CONUS MARMOREUS.                        
*KEYWDS    M-CONOTOXIN MR3E                                                      
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    W.H.FANG, W.H.DU, Y.H.HAN, F.J.HUANG                                  
*REVDAT   1   08-MAY-07 2EFZ    0                                                

  1 VAL  HA      1 VAL  HB      3.55   # peak    103
  1 VAL  HA      1 VAL  HB      3.52   # peak    137
  1 VAL  HA      1 VAL  QQG     7.62   # peak     94
  1 VAL  HA      2 CYSS HN      2.77   # peak     59
  1 VAL  HB      1 VAL  QQG     6.13   # peak    130
  1 VAL  HB      2 CYSS HN      3.52   # peak     42
  1 VAL  QQG     2 CYSS HN      7.62   # peak     34
  2 CYSS HN      2 CYSS HA      3.27   # peak     92
  2 CYSS HN      2 CYSS HB2     3.80   # peak     46
  2 CYSS HN      2 CYSS HB3     2.71   # peak     44
  2 CYSS HA      2 CYSS HB2     3.14   # peak    138
  2 CYSS HA      2 CYSS HB3     2.90   # peak    139
  2 CYSS HA      3 CYSS HN      2.77   # peak     90
  2 CYSS HA     14 CYSS HN      4.80   # peak     93
  2 CYSS HB2     3 CYSS HN      4.01   # peak     50
  2 CYSS HB2    15 CYSS HN      5.50   # peak     12
  2 CYSS HB3     3 CYSS HN      3.05   # peak     49
  2 CYSS HB3    15 CYSS HN      5.50   # peak     11
  3 CYSS HN      3 CYSS HA      3.49   # peak      2
  3 CYSS HN      3 CYSS HB2     3.61   # peak     57
  3 CYSS HN      3 CYSS HB3     2.99   # peak     56
  3 CYSS HN     14 CYSS HN      4.80   # peak     32
  3 CYSS HN     15 CYSS HA      3.24   # peak     89
  3 CYSS HA      3 CYSS HB2     2.40   # peak    141
  3 CYSS HA      3 CYSS HB3     3.55   # peak    140
  3 CYSS HA      4 PRO  HG2     5.50   # peak    123
  3 CYSS HA      4 PRO  HG3     4.00  # peak    126
  4 PRO  HA      4 PRO  HB2     2.83   # peak    117
  4 PRO  HA      4 PRO  HB3     3.18   # peak    122
  4 PRO  HA      4 PRO  HG2     2.65   # peak    124
  4 PRO  HA      4 PRO  HG3     4.14   # peak    125
  4 PRO  HA      5 PHE  HN      2.77   # peak      3
  4 PRO  HA     16 ASP  HB2     4.82   # peak    121
  4 PRO  HA     16 ASP  HB3     3.86   # peak    120
  4 PRO  HB2     4 PRO  HD2     5.50   # peak    107
  4 PRO  HB2     4 PRO  HD3     4.82   # peak    104
  4 PRO  HB2     5 PHE  HN      3.89   # peak     43
  4 PRO  HB3     4 PRO  HD2     2.65   # peak    127
  4 PRO  HB3     4 PRO  HD3     2.40   # peak    128
  4 PRO  HB3     5 PHE  HN      3.42   # peak     41
  4 PRO  HB3     7 GLY  HN      4.48   # peak     40
  4 PRO  HG2     4 PRO  HD2     4.11   # peak    106
  4 PRO  HG2     4 PRO  HD3     3.83   # peak    105
  4 PRO  HG3     4 PRO  HD2     3.67   # peak    100
  4 PRO  HG3     4 PRO  HD3     4.73   # peak    101
  4 PRO  HG3     7 GLY  HN      5.00   # peak     39
  4 PRO  HG3     7 GLY  HA2     3.80   # peak    102
  5 PHE  HN      5 PHE  HA      3.45   # peak     62
  5 PHE  HN      5 PHE  QB      3.99   # peak     54
  5 PHE  HN      5 PHE  QD      4.52   # peak     28
  5 PHE  HA      5 PHE  QB      3.96   # peak    142
  5 PHE  HA      5 PHE  QB      4.58   # peak    109
  5 PHE  HA      5 PHE  QD      6.75   # peak     83
  5 PHE  HA      6 GLY  HN      3.80   # peak     64
  5 PHE  HA      7 GLY  HN      3.86   # peak     66
  5 PHE  QB      5 PHE  QD      7.35   # peak     77
  5 PHE  QB      6 GLY  HN      4.98   # peak     53
  5 PHE  QD      6 GLY  HN      7.62   # peak     29
  6 GLY  HN      6 GLY  HA1     3.27   # peak     61
  6 GLY  HN      6 GLY  HA2     2.87   # peak     58
  6 GLY  HA1     6 GLY  HA2     2.68   # peak    154
  6 GLY  HA1     7 GLY  HN      3.67   # peak     65
  6 GLY  HA2     7 GLY  HN      3.67   # peak     86
  7 GLY  HN      7 GLY  HA1     3.21   # peak      1
  7 GLY  HN      7 GLY  HA2     2.93   # peak     67
  7 GLY  HA1     7 GLY  HA2     2.40   # peak    114
  7 GLY  HA1     8 CYSS HN      3.55   # peak     88
  7 GLY  HA2     8 CYSS HN      4.14   # peak     52
  8 CYSS HN      8 CYSS HA      3.52   # peak    134
  8 CYSS HN      8 CYSS QB      4.05   # peak     51
  8 CYSS HN      9 HIS  HN      4.80   # peak    133
  8 CYSS HA      8 CYSS QB      4.02   # peak    145
  9 HIS  HN      9 HIS  HB2     3.73   # peak     74
  9 HIS  HN      9 HIS  HB3     3.73   # peak     71
  9 HIS  HN     11 LEU  HN      4.10   # peak     30
  9 HIS  HB2    10 GLU  HN      3.52   # peak     22
  9 HIS  HB3    10 GLU  HN      3.27   # peak     19
 10 GLU  HN     10 GLU  HA      3.49   # peak     23
 10 GLU  HN     10 GLU  QB      5.54   # peak     20
 10 GLU  HN     10 GLU  QG      4.95   # peak     21
 10 GLU  HA     10 GLU  QB      4.39   # peak    116
 10 GLU  HA     10 GLU  QB      6.19   # peak    108
 10 GLU  HA     10 GLU  QG      6.38   # peak     99
 10 GLU  HA     10 GLU  QG      4.64   # peak    115
 10 GLU  HA     11 LEU  HN      3.70   # peak     63
 10 GLU  HA     12 CYSS HN      3.80   # peak     81
 10 GLU  QB     11 LEU  HN      5.88   # peak     48
 10 GLU  QB     11 LEU  HG      6.38   # peak    155
 10 GLU  QG     11 LEU  HN      4.39   # peak     37
 11 LEU  HN     11 LEU  HA      3.00   # peak     60
 11 LEU  HN     11 LEU  HB2     3.36   # peak     38
 11 LEU  HN     11 LEU  HB3     2.90   # peak     35
 11 LEU  HN     11 LEU  HG      4.32   # peak     36
 11 LEU  HN     11 LEU  QQD     7.63   # peak     33
 11 LEU  HN     12 CYSS HN      3.39   # peak     31
 11 LEU  HA     11 LEU  HB2     3.45   # peak    146
 11 LEU  HA     11 LEU  HB2     5.50   # peak     98
 11 LEU  HA     11 LEU  HB3     3.02   # peak    147
 11 LEU  HA     11 LEU  HB3     3.70   # peak     97
 11 LEU  HA     11 LEU  HG      2.62   # peak    148
 11 LEU  HA     11 LEU  HG      5.50   # peak     96
 11 LEU  HA     11 LEU  QQD     7.63   # peak     95
 11 LEU  HA     12 CYSS HN      3.80   # peak     80
 11 LEU  HB2    11 LEU  QQD     6.58   # peak    132
 11 LEU  HB2    12 CYSS HN      4.69   # peak    157
 11 LEU  HB3    11 LEU  QQD     4.69   # peak    131
 11 LEU  HB3    12 CYSS HN      5.31   # peak    156
 11 LEU  HG     11 LEU  QQD     5.00   # peak    129
 12 CYSS HN     12 CYSS HA      3.42   # peak     79
 12 CYSS HN     12 CYSS HB2     2.74   # peak     73
 12 CYSS HN     12 CYSS HB3     2.80   # peak     72
 12 CYSS HN     13 TYR  HN      5.22   # peak     26
 12 CYSS HA     12 CYSS HB2     4.00   # peak    149
 12 CYSS HA     12 CYSS HB3     2.62   # peak    150
 12 CYSS HA     13 TYR  HN      2.68   # peak      5
 12 CYSS HA     14 CYSS HN      4.01   # peak     13
 13 TYR  HN     13 TYR  HA      3.45   # peak      4
 13 TYR  HN     13 TYR  HB2     2.99   # peak     18
 13 TYR  HN     13 TYR  HB3     3.14   # peak     17
 13 TYR  HN     13 TYR  QD      7.64   # peak     25
 13 TYR  HN     14 CYSS HN      3.05   # peak     24
 13 TYR  HA     13 TYR  HB2     3.02   # peak    112
 13 TYR  HA     13 TYR  HB2     3.73   # peak    111
 13 TYR  HA     13 TYR  HB3     3.58   # peak    110
 13 TYR  HA     13 TYR  HB3     5.50   # peak    113
 13 TYR  HA     13 TYR  QD      6.71   # peak     82
 13 TYR  HA     14 CYSS HN      3.92   # peak     84
 13 TYR  HB2    13 TYR  QD      6.28   # peak     76
 13 TYR  HB2    14 CYSS HN      3.45   # peak     70
 13 TYR  HB3    13 TYR  QD      6.12   # peak     75
 13 TYR  HB3    14 CYSS HN      3.42   # peak     69
 13 TYR  QD     14 CYSS HB2     7.33   # peak     78
 14 CYSS HN     14 CYSS HA      3.49   # peak     14
 14 CYSS HN     14 CYSS HB2     4.07   # peak     85
 14 CYSS HN     14 CYSS HB3     3.27   # peak     68
 14 CYSS HN     15 CYSS HN      4.00   # peak     16
 14 CYSS HA     14 CYSS HB2     3.30   # peak    144
 14 CYSS HA     14 CYSS HB3     3.42   # peak    143
 14 CYSS HA     15 CYSS HN      3.90   # peak     15
 14 CYSS HB2    15 CYSS HN      3.80   # peak      9
 14 CYSS HB3    15 CYSS HN      3.40   # peak      7
 15 CYSS HN     15 CYSS HA      3.58   # peak     10
 15 CYSS HN     15 CYSS HB2     3.49   # peak      8
 15 CYSS HN     15 CYSS HB3     3.30   # peak      6
 15 CYSS HA     15 CYSS HB2     3.36   # peak    151
 15 CYSS HA     15 CYSS HB3     3.24   # peak    152
 15 CYSS HA     16 ASP  HN      2.80   # peak     91
 16 ASP  HN     16 ASP  HA      3.67   # peak     87
 16 ASP  HN     16 ASP  HB2     2.68   # peak     47
 16 ASP  HN     16 ASP  HB3     2.74   # peak     45
 16 ASP  HA     16 ASP  HB2     3.05   # peak    119
 16 ASP  HA     16 ASP  HB3     2.96   # peak    118
#D2O
  2 CYSS HA      2 CYSS HB2     3.27   # peak     27
  2 CYSS HA      2 CYSS HB2     3.67   # peak     35
  2 CYSS HA      2 CYSS HB3     3.36   # peak     36
  2 CYSS HA      2 CYSS HB3     3.05   # peak     26
  2 CYSS HB2    14 CYSS HB3     5.50   # peak      2
  2 CYSS HB2    15 CYSS HA      4.73   # peak     37
  2 CYSS HB3    14 CYSS HB3     5.25   # peak      1
  2 CYSS HB3    15 CYSS HA      3.70   # peak     38
  3 CYSS HA      3 CYSS HB2     2.40   # peak     22
  3 CYSS HA      4 PRO  HB2     4.45   # peak     25
  3 CYSS HA      4 PRO  HG2     4.60   # peak     24
  3 CYSS HA      4 PRO  HG3     3.42   # peak     23
  3 CYSS HA      4 PRO  HD2     3.18   # peak     21
  3 CYSS HA      4 PRO  HD3     2.90   # peak     20
  3 CYSS HA     15 CYSS HA      4.88   # peak     19
  4 PRO  HA      4 PRO  HB2     3.08   # peak      3
  4 PRO  HA      4 PRO  HB3     3.30   # peak      4
  4 PRO  HA      4 PRO  HG2     3.18   # peak      6
  4 PRO  HA      4 PRO  HG3     4.79   # peak      5
  4 PRO  HA      4 PRO  HD2     5.50   # peak      8
  4 PRO  HA      4 PRO  HD3     3.92   # peak      7
  4 PRO  HB2     4 PRO  HB3     2.71   # peak     30
  4 PRO  HB2     4 PRO  HG3     4.45   # peak     28
  4 PRO  HG2     4 PRO  HG3     2.77   # peak     29
  5 PHE  HA      5 PHE  QE      7.62   # peak     13
  5 PHE  QB      5 PHE  QE      8.50   # peak     12
  5 PHE  QE     13 TYR  HA      7.62   # peak     14
  6 GLY  HA1     6 GLY  HA2     5.50   # peak     34
 11 LEU  HB2    11 LEU  HB3     2.77   # peak     31
 13 TYR  HA     13 TYR  QE      7.63   # peak     11
 13 TYR  HB2    13 TYR  QE      7.63   # peak     10
 13 TYR  HB3    13 TYR  QE      7.63   # peak      9
 13 TYR  QE     14 CYSS HB2     7.63   # peak     15
 14 CYSS HB3    15 CYSS HA      3.02   # peak     18
 15 CYSS HA     15 CYSS HB2     3.27   # peak     17
 15 CYSS HA     15 CYSS HB3     3.27   # peak     16
 16 ASP  HA     16 ASP  HB2     3.36   # peak     33
 16 ASP  HB2    16 ASP  HB3     2.40   # peak     32
#Hbond
   4 PRO  O        8 CYSS HN      2.20
   4 PRO  O        8 CYSS  N      3.20
   9 HIS  O       12 CYSS HN      2.20
   9 HIS  O       12 CYSS  N      3.20
   5 PHE  O        7 GLY  HN      2.20
   5 PHE  O        7 GLY   N      3.20


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    VAL   1          H         VAL   1   6.583   3.603   5.218
    2    HA   VAL   1           HA       VAL   1   6.082   1.862   7.350
    3    HB   VAL   1           HB       VAL   1   3.823   2.688   7.997
    4   1HG1  VAL   1          1HG1      VAL   1   6.047   4.680   8.605
    5   2HG1  VAL   1          2HG1      VAL   1   4.569   4.418   9.552
    6   3HG1  VAL   1          3HG1      VAL   1   5.783   3.131   9.435
    7   1HG2  VAL   1          1HG2      VAL   1   3.343   4.146   6.042
    8   2HG2  VAL   1          2HG2      VAL   1   3.162   5.010   7.575
    9   3HG2  VAL   1          3HG2      VAL   1   4.603   5.276   6.578
   10    H    CYS   2           H        CYS   2   3.887   0.689   6.830
   11    HA   CYS   2           HA       CYS   2   3.937   0.061   3.978
   12   2HB   CYS   2          HB2       CYS   2   1.820  -0.950   5.869
   13    H    CYS   3           H        CYS   3   1.724  -0.035   2.783
   14    HA   CYS   3           HA       CYS   3   0.272   2.520   3.245
   15   2HB   CYS   3          HB2       CYS   3  -0.822   2.007   1.155
   16    HA   PRO   4           HA       PRO   4  -2.418  -0.319   5.555
   17   2HB   PRO   4          HB2       PRO   4  -2.910   1.418   6.962
   18   2HG   PRO   4          HG2       PRO   4  -3.090   3.672   6.150
   19   2HD   PRO   4          HD2       PRO   4  -0.961   2.847   5.443
   20    H    PHE   5           H        PHE   5  -4.581  -1.373   5.242
   21    HA   PHE   5           HA       PHE   5  -5.616  -1.914   2.789
   22   2HB   PHE   5          HB2       PHE   5  -7.916  -2.007   3.787
   23    HD1  PHE   5           HD2      PHE   5  -4.994  -3.717   3.946
   24    HD2  PHE   5           HD1      PHE   5  -8.509  -3.064   6.370
   25    HE1  PHE   5           HE2      PHE   5  -4.638  -5.877   5.055
   26    HE2  PHE   5           HE1      PHE   5  -8.166  -5.270   7.441
   27    HZ   PHE   5           HZ       PHE   5  -6.222  -6.681   6.788
   28    H    GLY   6           H        GLY   6  -6.716   0.969   4.616
   29   1HA   GLY   6          HA2       GLY   6  -8.080   2.106   2.265
   30   2HA   GLY   6          HA3       GLY   6  -7.901   2.827   3.871
   31    H    GLY   7           H        GLY   7  -5.641   1.669   1.313
   32   1HA   GLY   7          HA2       GLY   7  -4.531   4.292   0.766
   33   2HA   GLY   7          HA3       GLY   7  -3.539   3.385   1.921
   34    H    CYS   8           H        CYS   8  -3.675   0.787   0.999
   35    HA   CYS   8           HA       CYS   8  -1.648   0.811  -0.910
   36   2HB   CYS   8          HB2       CYS   8  -3.526  -1.441  -0.127
   37    H    HIS   9           H        HIS   9  -1.488   0.851  -3.060
   38    HA   HIS   9           HA       HIS   9  -3.623  -0.066  -4.796
   39   2HB   HIS   9          HB2       HIS   9  -3.055   1.840  -6.354
   40    HD1  HIS   9           HD1      HIS   9  -3.901   3.178  -2.790
   41    HD2  HIS   9           HD2      HIS   9  -5.599   2.401  -6.567
   42    HE1  HIS   9           HE1      HIS   9  -6.291   4.053  -2.713
   43    H    GLU  10           H        GLU  10  -2.382  -0.281  -7.026
   44    HA   GLU  10           HA       GLU  10  -0.336  -2.102  -6.765
   45   2HB   GLU  10          HB2       GLU  10  -0.010  -1.851  -9.156
   46   2HG   GLU  10          HG2       GLU  10  -2.918  -1.049  -8.669
   47    H    LEU  11           H        LEU  11  -0.054   1.382  -6.899
   48    HA   LEU  11           HA       LEU  11   2.616   1.762  -7.595
   49   2HB   LEU  11          HB2       LEU  11   2.228   3.878  -6.182
   50    HG   LEU  11           HG       LEU  11   0.413   2.996  -8.432
   51   1HD1  LEU  11          1HD1      LEU  11  -0.963   4.489  -7.028
   52   2HD1  LEU  11          2HD1      LEU  11   0.338   5.701  -7.021
   53   3HD1  LEU  11          3HD1      LEU  11  -0.501   5.299  -8.534
   54   1HD2  LEU  11          1HD2      LEU  11   2.763   3.585  -8.974
   55   2HD2  LEU  11          2HD2      LEU  11   1.624   4.745  -9.674
   56   3HD2  LEU  11          3HD2      LEU  11   2.537   5.175  -8.215
   57    H    CYS  12           H        CYS  12   1.228   0.612  -4.538
   58    HA   CYS  12           HA       CYS  12   3.682   1.406  -3.042
   59   2HB   CYS  12          HB2       CYS  12   0.955   0.618  -1.981
   60    H    TYR  13           H        TYR  13   5.194  -0.188  -3.142
   61    HA   TYR  13           HA       TYR  13   4.894  -2.832  -3.693
   62   2HB   TYR  13          HB2       TYR  13   7.113  -2.685  -2.133
   63    HD1  TYR  13           HD1      TYR  13   6.564  -0.265  -4.963
   64    HD2  TYR  13           HD2      TYR  13   8.276  -4.022  -3.702
   65    HE1  TYR  13           HE1      TYR  13   7.708  -0.477  -7.140
   66    HE2  TYR  13           HE2      TYR  13   9.429  -4.221  -5.886
   67    HH   TYR  13           HH       TYR  13   9.115  -1.755  -8.449
   68    H    CYS  14           H        CYS  14   4.981  -1.342  -0.419
   69    HA   CYS  14           HA       CYS  14   5.214  -3.834   0.924
   70   2HB   CYS  14          HB2       CYS  14   4.263  -1.144   1.976
   71    H    CYS  15           H        CYS  15   2.355  -1.745   0.656
   72    HA   CYS  15           HA       CYS  15   0.161  -2.074   0.758
   73   2HB   CYS  15          HB2       CYS  15   0.856  -4.704  -0.560
   74    H    ASP  16           H        ASP  16  -0.489  -2.213   2.876
   75    HA   ASP  16           HA       ASP  16  -0.384  -4.385   4.669
   76   2HB   ASP  16          HB2       ASP  16  -2.393  -2.192   4.148
  Start of MODEL    2
    1   1H    VAL   1          H         VAL   1   6.813   4.380   4.530
    2    HA   VAL   1           HA       VAL   1   6.790   2.494   6.594
    3    HB   VAL   1           HB       VAL   1   4.575   3.067   7.603
    4   1HG1  VAL   1          1HG1      VAL   1   6.715   5.185   8.058
    5   2HG1  VAL   1          2HG1      VAL   1   5.404   4.749   9.170
    6   3HG1  VAL   1          3HG1      VAL   1   6.675   3.571   8.796
    7   1HG2  VAL   1          1HG2      VAL   1   4.955   5.809   6.315
    8   2HG2  VAL   1          2HG2      VAL   1   3.729   4.614   5.842
    9   3HG2  VAL   1          3HG2      VAL   1   3.683   5.337   7.456
   10    H    CYS   2           H        CYS   2   4.640   1.169   6.342
   11    HA   CYS   2           HA       CYS   2   4.284   0.599   3.510
   12   2HB   CYS   2          HB2       CYS   2   2.443  -0.457   5.655
   13    H    CYS   3           H        CYS   3   1.932   0.474   2.623
   14    HA   CYS   3           HA       CYS   3   0.317   2.795   3.582
   15   2HB   CYS   3          HB2       CYS   3  -1.250   2.111   1.847
   16    HA   PRO   4           HA       PRO   4  -1.922  -0.355   6.007
   17   2HB   PRO   4          HB2       PRO   4  -2.702   1.375   7.345
   18   2HG   PRO   4          HG2       PRO   4  -3.219   3.529   6.421
   19   2HD   PRO   4          HD2       PRO   4  -0.984   3.090   5.736
   20    H    PHE   5           H        PHE   5  -3.700  -1.833   5.496
   21    HA   PHE   5           HA       PHE   5  -4.362  -2.325   2.893
   22   2HB   PHE   5          HB2       PHE   5  -5.944  -2.802   5.458
   23    HD1  PHE   5           HD1      PHE   5  -5.115  -4.746   2.392
   24    HD2  PHE   5           HD2      PHE   5  -8.226  -3.073   4.828
   25    HE1  PHE   5           HE1      PHE   5  -6.830  -5.895   0.979
   26    HE2  PHE   5           HE2      PHE   5  -9.949  -4.211   3.432
   27    HZ   PHE   5           HZ       PHE   5  -9.248  -5.625   1.508
   28    H    GLY   6           H        GLY   6  -6.250  -0.327   5.170
   29   1HA   GLY   6          HA2       GLY   6  -8.121   0.634   3.116
   30   2HA   GLY   6          HA3       GLY   6  -7.957   1.202   4.783
   31    H    GLY   7           H        GLY   7  -5.916   1.061   1.824
   32   1HA   GLY   7          HA2       GLY   7  -5.669   3.851   1.391
   33   2HA   GLY   7          HA3       GLY   7  -4.342   3.353   2.459
   34    H    CYS   8           H        CYS   8  -3.862   0.763   1.469
   35    HA   CYS   8           HA       CYS   8  -1.947   1.214  -0.465
   36   2HB   CYS   8          HB2       CYS   8  -3.473  -1.317   0.227
   37    H    HIS   9           H        HIS   9  -1.800   1.313  -2.643
   38    HA   HIS   9           HA       HIS   9  -3.888   0.202  -4.332
   39   2HB   HIS   9          HB2       HIS   9  -3.404   2.040  -5.969
   40    HD1  HIS   9           HD1      HIS   9  -4.422   3.170  -2.341
   41    HD2  HIS   9           HD2      HIS   9  -5.787   2.956  -6.328
   42    HE1  HIS   9           HE1      HIS   9  -6.763   4.147  -2.368
   43    H    GLU  10           H        GLU  10  -2.632  -0.141  -6.502
   44    HA   GLU  10           HA       GLU  10  -0.584  -1.910  -5.977
   45   2HB   GLU  10          HB2       GLU  10  -1.124  -0.360  -8.568
   46   2HG   GLU  10          HG2       GLU  10   0.081  -3.130  -8.181
   47    H    LEU  11           H        LEU  11  -0.230   1.541  -6.507
   48    HA   LEU  11           HA       LEU  11   2.498   1.617  -7.259
   49   2HB   LEU  11          HB2       LEU  11   2.209   3.987  -6.290
   50    HG   LEU  11           HG       LEU  11   0.425   2.803  -8.427
   51   1HD1  LEU  11          1HD1      LEU  11  -0.287   5.101  -9.032
   52   2HD1  LEU  11          2HD1      LEU  11  -0.871   4.650  -7.421
   53   3HD1  LEU  11          3HD1      LEU  11   0.527   5.736  -7.586
   54   1HD2  LEU  11          1HD2      LEU  11   2.831   3.092  -8.955
   55   2HD2  LEU  11          2HD2      LEU  11   1.824   4.178  -9.922
   56   3HD2  LEU  11          3HD2      LEU  11   2.719   4.811  -8.526
   57    H    CYS  12           H        CYS  12   0.881   1.180  -4.148
   58    HA   CYS  12           HA       CYS  12   3.248   2.170  -2.648
   59   2HB   CYS  12          HB2       CYS  12   0.587   1.280  -1.518
   60    H    TYR  13           H        TYR  13   4.327   0.372  -3.661
   61    HA   TYR  13           HA       TYR  13   4.017  -2.142  -3.992
   62   2HB   TYR  13          HB2       TYR  13   6.581  -1.269  -2.600
   63    HD1  TYR  13           HD1      TYR  13   7.145  -3.705  -2.302
   64    HD2  TYR  13           HD2      TYR  13   6.267  -2.018  -6.174
   65    HE1  TYR  13           HE1      TYR  13   8.251  -5.635  -3.400
   66    HE2  TYR  13           HE2      TYR  13   7.380  -3.937  -7.263
   67    HH   TYR  13           HH       TYR  13   8.513  -5.918  -6.952
   68    H    CYS  14           H        CYS  14   4.958  -0.949  -0.868
   69    HA   CYS  14           HA       CYS  14   5.418  -3.415   0.501
   70   2HB   CYS  14          HB2       CYS  14   4.540  -0.712   1.589
   71    H    CYS  15           H        CYS  15   2.505  -1.426   0.400
   72    HA   CYS  15           HA       CYS  15   0.328  -1.790   0.882
   73   2HB   CYS  15          HB2       CYS  15   0.965  -4.324  -0.672
   74    H    ASP  16           H        ASP  16   0.018  -2.132   3.158
   75    HA   ASP  16           HA       ASP  16   0.165  -4.661   4.488
   76   2HB   ASP  16          HB2       ASP  16  -1.510  -2.187   4.787
  Start of MODEL    3
    1   1H    VAL   1          H         VAL   1   6.466   3.493   5.177
    2    HA   VAL   1           HA       VAL   1   5.963   1.802   7.352
    3    HB   VAL   1           HB       VAL   1   3.691   2.623   7.951
    4   1HG1  VAL   1          1HG1      VAL   1   5.634   3.138   9.392
    5   2HG1  VAL   1          2HG1      VAL   1   5.883   4.664   8.515
    6   3HG1  VAL   1          3HG1      VAL   1   4.401   4.410   9.457
    7   1HG2  VAL   1          1HG2      VAL   1   3.209   4.011   5.948
    8   2HG2  VAL   1          2HG2      VAL   1   3.010   4.925   7.450
    9   3HG2  VAL   1          3HG2      VAL   1   4.455   5.172   6.453
   10    H    CYS   2           H        CYS   2   3.812   0.565   6.835
   11    HA   CYS   2           HA       CYS   2   3.870  -0.073   3.979
   12   2HB   CYS   2          HB2       CYS   2   1.841  -1.177   5.919
   13    H    CYS   3           H        CYS   3   1.642  -0.270   2.829
   14    HA   CYS   3           HA       CYS   3   0.194   2.291   3.213
   15   2HB   CYS   3          HB2       CYS   3  -0.939   1.677   1.156
   16    HA   PRO   4           HA       PRO   4  -2.682  -0.360   5.551
   17   2HB   PRO   4          HB2       PRO   4  -3.187   1.473   6.872
   18   2HG   PRO   4          HG2       PRO   4  -3.215   3.693   5.959
   19   2HD   PRO   4          HD2       PRO   4  -1.087   2.781   5.380
   20    H    PHE   5           H        PHE   5  -4.976  -1.150   5.228
   21    HA   PHE   5           HA       PHE   5  -5.553  -1.943   2.666
   22   2HB   PHE   5          HB2       PHE   5  -7.660  -2.665   3.447
   23    HD1  PHE   5           HD2      PHE   5  -5.508  -4.250   3.892
   24    HD2  PHE   5           HD1      PHE   5  -7.347  -1.722   6.874
   25    HE1  PHE   5           HE2      PHE   5  -4.286  -5.447   5.683
   26    HE2  PHE   5           HE1      PHE   5  -6.062  -2.888   8.638
   27    HZ   PHE   5           HZ       PHE   5  -4.477  -4.703   8.025
   28    H    GLY   6           H        GLY   6  -6.981   0.892   4.323
   29   1HA   GLY   6          HA2       GLY   6  -8.177   1.980   1.859
   30   2HA   GLY   6          HA3       GLY   6  -8.143   2.716   3.467
   31    H    GLY   7           H        GLY   7  -5.718   1.584   1.075
   32   1HA   GLY   7          HA2       GLY   7  -4.569   4.183   0.576
   33   2HA   GLY   7          HA3       GLY   7  -3.646   3.313   1.816
   34    H    CYS   8           H        CYS   8  -3.912   0.654   0.858
   35    HA   CYS   8           HA       CYS   8  -1.759   0.573  -0.953
   36   2HB   CYS   8          HB2       CYS   8  -3.757  -1.561  -0.139
   37    H    HIS   9           H        HIS   9  -1.539   0.336  -3.098
   38    HA   HIS   9           HA       HIS   9  -3.689  -0.418  -4.853
   39   2HB   HIS   9          HB2       HIS   9  -2.686   1.676  -6.340
   40    HD1  HIS   9           HD1      HIS   9  -4.975   0.965  -7.355
   41    HD2  HIS   9           HD2      HIS   9  -5.109   2.984  -3.662
   42    HE1  HIS   9           HE1      HIS   9  -7.426   1.725  -7.004
   43    H    GLU  10           H        GLU  10  -2.512  -0.326  -7.117
   44    HA   GLU  10           HA       GLU  10  -0.374  -2.212  -7.029
   45   2HB   GLU  10          HB2       GLU  10  -1.680  -2.214  -9.005
   46   2HG   GLU  10          HG2       GLU  10  -1.545  -0.093 -10.554
   47    H    LEU  11           H        LEU  11  -0.363   1.253  -6.942
   48    HA   LEU  11           HA       LEU  11   2.324   1.729  -7.719
   49   2HB   LEU  11          HB2       LEU  11   1.139   3.503  -5.617
   50    HG   LEU  11           HG       LEU  11   1.951   3.981  -8.523
   51   1HD1  LEU  11          1HD1      LEU  11   1.266   5.947  -6.293
   52   2HD1  LEU  11          2HD1      LEU  11   1.806   6.375  -7.930
   53   3HD1  LEU  11          3HD1      LEU  11   0.246   5.569  -7.698
   54   1HD2  LEU  11          1HD2      LEU  11   3.447   4.550  -5.921
   55   2HD2  LEU  11          2HD2      LEU  11   3.965   3.481  -7.247
   56   3HD2  LEU  11          3HD2      LEU  11   3.895   5.225  -7.502
   57    H    CYS  12           H        CYS  12   0.930   0.533  -4.681
   58    HA   CYS  12           HA       CYS  12   3.376   1.299  -3.176
   59   2HB   CYS  12          HB2       CYS  12   0.692   0.393  -2.107
   60    H    TYR  13           H        TYR  13   4.943  -0.220  -3.148
   61    HA   TYR  13           HA       TYR  13   4.728  -2.882  -3.810
   62   2HB   TYR  13          HB2       TYR  13   6.941  -2.753  -2.375
   63    HD1  TYR  13           HD2      TYR  13   6.175   0.025  -4.826
   64    HD2  TYR  13           HD1      TYR  13   8.231  -3.703  -4.091
   65    HE1  TYR  13           HE2      TYR  13   7.294   0.201  -7.019
   66    HE2  TYR  13           HE1      TYR  13   9.365  -3.503  -6.273
   67    HH   TYR  13           HH       TYR  13   9.633  -2.239  -8.181
   68    H    CYS  14           H        CYS  14   4.744  -1.374  -0.537
   69    HA   CYS  14           HA       CYS  14   5.054  -3.870   0.791
   70   2HB   CYS  14          HB2       CYS  14   4.099  -1.208   1.905
   71    H    CYS  15           H        CYS  15   2.156  -1.801   0.674
   72    HA   CYS  15           HA       CYS  15  -0.045  -2.195   0.813
   73   2HB   CYS  15          HB2       CYS  15   0.709  -4.784  -0.551
   74    H    ASP  16           H        ASP  16  -0.539  -2.369   3.023
   75    HA   ASP  16           HA       ASP  16  -0.083  -4.657   4.635
   76   2HB   ASP  16          HB2       ASP  16  -2.249  -2.535   4.864
  Start of MODEL    4
    1   1H    VAL   1          H         VAL   1   6.892   4.343   4.391
    2    HA   VAL   1           HA       VAL   1   6.805   2.554   6.541
    3    HB   VAL   1           HB       VAL   1   4.590   3.219   7.488
    4   1HG1  VAL   1          1HG1      VAL   1   5.428   4.962   8.980
    5   2HG1  VAL   1          2HG1      VAL   1   6.682   3.745   8.686
    6   3HG1  VAL   1          3HG1      VAL   1   6.763   5.320   7.867
    7   1HG2  VAL   1          1HG2      VAL   1   5.038   5.883   6.065
    8   2HG2  VAL   1          2HG2      VAL   1   3.795   4.688   5.641
    9   3HG2  VAL   1          3HG2      VAL   1   3.745   5.497   7.214
   10    H    CYS   2           H        CYS   2   4.660   1.241   6.316
   11    HA   CYS   2           HA       CYS   2   4.294   0.600   3.492
   12   2HB   CYS   2          HB2       CYS   2   2.491  -0.444   5.674
   13    H    CYS   3           H        CYS   3   1.925   0.441   2.642
   14    HA   CYS   3           HA       CYS   3   0.304   2.757   3.607
   15   2HB   CYS   3          HB2       CYS   3  -1.269   2.057   1.881
   16    HA   PRO   4           HA       PRO   4  -1.975  -0.400   5.995
   17   2HB   PRO   4          HB2       PRO   4  -2.811   1.332   7.300
   18   2HG   PRO   4          HG2       PRO   4  -3.317   3.477   6.347
   19   2HD   PRO   4          HD2       PRO   4  -1.057   3.058   5.733
   20    H    PHE   5           H        PHE   5  -3.735  -1.883   5.434
   21    HA   PHE   5           HA       PHE   5  -4.317  -2.388   2.813
   22   2HB   PHE   5          HB2       PHE   5  -5.954  -2.858   5.344
   23    HD1  PHE   5           HD1      PHE   5  -5.107  -4.786   2.271
   24    HD2  PHE   5           HD2      PHE   5  -8.227  -3.108   4.693
   25    HE1  PHE   5           HE1      PHE   5  -6.821  -5.893   0.821
   26    HE2  PHE   5           HE2      PHE   5  -9.947  -4.205   3.261
   27    HZ   PHE   5           HZ       PHE   5  -9.241  -5.600   1.326
   28    H    GLY   6           H        GLY   6  -6.264  -0.374   5.024
   29   1HA   GLY   6          HA2       GLY   6  -8.080   0.577   2.916
   30   2HA   GLY   6          HA3       GLY   6  -7.955   1.157   4.584
   31    H    GLY   7           H        GLY   7  -5.845   0.988   1.678
   32   1HA   GLY   7          HA2       GLY   7  -5.579   3.770   1.216
   33   2HA   GLY   7          HA3       GLY   7  -4.282   3.287   2.328
   34    H    CYS   8           H        CYS   8  -3.799   0.676   1.387
   35    HA   CYS   8           HA       CYS   8  -1.832   1.056  -0.505
   36   2HB   CYS   8          HB2       CYS   8  -3.432  -1.418   0.219
   37    H    HIS   9           H        HIS   9  -1.612   1.076  -2.700
   38    HA   HIS   9           HA       HIS   9  -3.717   0.043  -4.408
   39   2HB   HIS   9          HB2       HIS   9  -3.097   1.817  -6.060
   40    HD1  HIS   9           HD1      HIS   9  -4.153   3.041  -2.479
   41    HD2  HIS   9           HD2      HIS   9  -5.380   2.880  -6.513
   42    HE1  HIS   9           HE1      HIS   9  -6.431   4.150  -2.597
   43    H    GLU  10           H        GLU  10  -2.218  -0.227  -6.613
   44    HA   GLU  10           HA       GLU  10  -0.231  -2.167  -5.789
   45   2HB   GLU  10          HB2       GLU  10  -1.153  -2.860  -7.763
   46   2HG   GLU  10          HG2       GLU  10  -2.706  -1.081  -8.313
   47    H    LEU  11           H        LEU  11  -0.211   1.220  -6.677
   48    HA   LEU  11           HA       LEU  11   2.517   1.604  -7.222
   49   2HB   LEU  11          HB2       LEU  11   1.911   3.905  -6.118
   50    HG   LEU  11           HG       LEU  11   0.498   2.704  -8.509
   51   1HD1  LEU  11          1HD1      LEU  11  -0.369   4.959  -9.047
   52   2HD1  LEU  11          2HD1      LEU  11  -1.071   4.330  -7.547
   53   3HD1  LEU  11          3HD1      LEU  11   0.213   5.559  -7.477
   54   1HD2  LEU  11          1HD2      LEU  11   2.580   4.919  -8.232
   55   2HD2  LEU  11          2HD2      LEU  11   2.911   3.250  -8.743
   56   3HD2  LEU  11          3HD2      LEU  11   1.905   4.298  -9.752
   57    H    CYS  12           H        CYS  12   0.838   1.128  -4.117
   58    HA   CYS  12           HA       CYS  12   3.193   2.145  -2.622
   59   2HB   CYS  12          HB2       CYS  12   0.555   1.223  -1.473
   60    H    TYR  13           H        TYR  13   4.283   0.359  -3.644
   61    HA   TYR  13           HA       TYR  13   4.024  -2.157  -3.968
   62   2HB   TYR  13          HB2       TYR  13   6.564  -1.195  -2.582
   63    HD1  TYR  13           HD1      TYR  13   6.167  -2.126  -6.126
   64    HD2  TYR  13           HD2      TYR  13   7.319  -3.537  -2.217
   65    HE1  TYR  13           HE1      TYR  13   7.353  -4.029  -7.164
   66    HE2  TYR  13           HE2      TYR  13   8.503  -5.450  -3.263
   67    HH   TYR  13           HH       TYR  13   8.639  -5.906  -6.804
   68    H    CYS  14           H        CYS  14   4.964  -0.946  -0.854
   69    HA   CYS  14           HA       CYS  14   5.478  -3.401   0.517
   70   2HB   CYS  14          HB2       CYS  14   4.560  -0.711   1.602
   71    H    CYS  15           H        CYS  15   2.531  -1.466   0.429
   72    HA   CYS  15           HA       CYS  15   0.364  -1.865   0.912
   73   2HB   CYS  15          HB2       CYS  15   1.053  -4.413  -0.599
   74    H    ASP  16           H        ASP  16   0.032  -2.176   3.189
   75    HA   ASP  16           HA       ASP  16   0.182  -4.687   4.554
   76   2HB   ASP  16          HB2       ASP  16  -1.530  -2.232   4.781
  Start of MODEL    5
    1   1H    VAL   1          H         VAL   1   6.563   4.128   4.473
    2    HA   VAL   1           HA       VAL   1   6.363   2.248   6.533
    3    HB   VAL   1           HB       VAL   1   4.137   2.927   7.445
    4   1HG1  VAL   1          1HG1      VAL   1   6.353   4.941   7.993
    5   2HG1  VAL   1          2HG1      VAL   1   4.975   4.570   9.047
    6   3HG1  VAL   1          3HG1      VAL   1   6.202   3.332   8.730
    7   1HG2  VAL   1          1HG2      VAL   1   3.360   5.237   7.259
    8   2HG2  VAL   1          2HG2      VAL   1   4.700   5.645   6.175
    9   3HG2  VAL   1          3HG2      VAL   1   3.442   4.509   5.650
   10    H    CYS   2           H        CYS   2   4.174   1.023   6.190
   11    HA   CYS   2           HA       CYS   2   3.886   0.489   3.338
   12   2HB   CYS   2          HB2       CYS   2   1.941  -0.540   5.399
   13    H    CYS   3           H        CYS   3   1.555   0.470   2.384
   14    HA   CYS   3           HA       CYS   3   0.025   2.861   3.331
   15   2HB   CYS   3          HB2       CYS   3  -1.479   2.329   1.504
   16    HA   PRO   4           HA       PRO   4  -2.292  -0.222   5.712
   17   2HB   PRO   4          HB2       PRO   4  -2.987   1.488   7.075
   18   2HG   PRO   4          HG2       PRO   4  -3.465   3.673   6.196
   19   2HD   PRO   4          HD2       PRO   4  -1.255   3.136   5.477
   20    H    PHE   5           H        PHE   5  -4.226  -1.606   5.320
   21    HA   PHE   5           HA       PHE   5  -5.088  -2.160   2.777
   22   2HB   PHE   5          HB2       PHE   5  -7.350  -2.804   3.810
   23    HD1  PHE   5           HD1      PHE   5  -5.987  -4.637   2.579
   24    HD2  PHE   5           HD2      PHE   5  -5.455  -3.664   6.747
   25    HE1  PHE   5           HE1      PHE   5  -5.048  -6.891   2.993
   26    HE2  PHE   5           HE2      PHE   5  -4.448  -5.872   7.131
   27    HZ   PHE   5           HZ       PHE   5  -4.273  -7.516   5.276
   28    H    GLY   6           H        GLY   6  -6.672   0.257   4.888
   29   1HA   GLY   6          HA2       GLY   6  -8.387   1.289   2.733
   30   2HA   GLY   6          HA3       GLY   6  -8.207   1.925   4.375
   31    H    GLY   7           H        GLY   7  -6.047   1.391   1.540
   32   1HA   GLY   7          HA2       GLY   7  -5.507   4.158   1.030
   33   2HA   GLY   7          HA3       GLY   7  -4.269   3.507   2.121
   34    H    CYS   8           H        CYS   8  -4.036   0.884   1.165
   35    HA   CYS   8           HA       CYS   8  -2.079   1.160  -0.761
   36   2HB   CYS   8          HB2       CYS   8  -3.777  -1.249  -0.044
   37    H    HIS   9           H        HIS   9  -1.910   1.280  -2.916
   38    HA   HIS   9           HA       HIS   9  -3.999   0.243  -4.645
   39   2HB   HIS   9          HB2       HIS   9  -3.438   2.067  -6.267
   40    HD1  HIS   9           HD1      HIS   9  -4.397   3.305  -2.665
   41    HD2  HIS   9           HD2      HIS   9  -5.816   3.013  -6.627
   42    HE1  HIS   9           HE1      HIS   9  -6.706   4.360  -2.698
   43    H    GLU  10           H        GLU  10  -2.703  -0.141  -6.793
   44    HA   GLU  10           HA       GLU  10  -0.660  -1.918  -6.210
   45   2HB   GLU  10          HB2       GLU  10  -1.188  -0.423  -8.836
   46   2HG   GLU  10          HG2       GLU  10   0.015  -3.183  -8.380
   47    H    LEU  11           H        LEU  11  -0.350   1.490  -6.781
   48    HA   LEU  11           HA       LEU  11   2.414   1.605  -7.484
   49   2HB   LEU  11          HB2       LEU  11   1.060   3.761  -5.839
   50    HG   LEU  11           HG       LEU  11   2.581   3.882  -8.491
   51   1HD1  LEU  11          1HD1      LEU  11   1.587   6.089  -6.638
   52   2HD1  LEU  11          2HD1      LEU  11   2.492   6.317  -8.150
   53   3HD1  LEU  11          3HD1      LEU  11   0.859   5.634  -8.194
   54   1HD2  LEU  11          1HD2      LEU  11   4.316   5.142  -7.131
   55   2HD2  LEU  11          2HD2      LEU  11   3.513   4.544  -5.665
   56   3HD2  LEU  11          3HD2      LEU  11   4.250   3.410  -6.828
   57    H    CYS  12           H        CYS  12   0.718   1.227  -4.397
   58    HA   CYS  12           HA       CYS  12   3.107   2.075  -2.851
   59   2HB   CYS  12          HB2       CYS  12   0.390   1.321  -1.762
   60    H    TYR  13           H        TYR  13   4.110   0.254  -3.859
   61    HA   TYR  13           HA       TYR  13   3.767  -2.257  -4.186
   62   2HB   TYR  13          HB2       TYR  13   6.305  -1.407  -2.728
   63    HD1  TYR  13           HD1      TYR  13   6.870  -3.826  -2.405
   64    HD2  TYR  13           HD2      TYR  13   6.044  -2.187  -6.309
   65    HE1  TYR  13           HE1      TYR  13   7.991  -5.763  -3.455
   66    HE2  TYR  13           HE2      TYR  13   7.180  -4.127  -7.357
   67    HH   TYR  13           HH       TYR  13   8.638  -6.759  -5.431
   68    H    CYS  14           H        CYS  14   4.628  -1.051  -1.040
   69    HA   CYS  14           HA       CYS  14   5.048  -3.521   0.340
   70   2HB   CYS  14          HB2       CYS  14   4.179  -0.805   1.402
   71    H    CYS  15           H        CYS  15   2.161  -1.501   0.176
   72    HA   CYS  15           HA       CYS  15  -0.011  -1.817   0.610
   73   2HB   CYS  15          HB2       CYS  15   0.566  -4.442  -0.814
   74    H    ASP  16           H        ASP  16  -0.409  -2.022   2.838
   75    HA   ASP  16           HA       ASP  16  -0.315  -4.453   4.363
   76   2HB   ASP  16          HB2       ASP  16  -1.995  -1.971   4.444
  Start of MODEL    6
    1   1H    VAL   1          H         VAL   1   6.283   3.861   5.039
    2    HA   VAL   1           HA       VAL   1   6.026   2.084   7.190
    3    HB   VAL   1           HB       VAL   1   3.698   2.670   7.875
    4   1HG1  VAL   1          1HG1      VAL   1   5.624   3.307   9.284
    5   2HG1  VAL   1          2HG1      VAL   1   5.723   4.873   8.450
    6   3HG1  VAL   1          3HG1      VAL   1   4.292   4.470   9.419
    7   1HG2  VAL   1          1HG2      VAL   1   4.190   5.329   6.456
    8   2HG2  VAL   1          2HG2      VAL   1   3.047   4.076   5.928
    9   3HG2  VAL   1          3HG2      VAL   1   2.797   4.909   7.468
   10    H    CYS   2           H        CYS   2   3.999   0.659   6.730
   11    HA   CYS   2           HA       CYS   2   3.965   0.032   3.872
   12   2HB   CYS   2          HB2       CYS   2   2.068  -1.141   5.906
   13    H    CYS   3           H        CYS   3   1.720  -0.267   2.809
   14    HA   CYS   3           HA       CYS   3   0.172   2.223   3.256
   15   2HB   CYS   3          HB2       CYS   3  -1.012   1.562   1.236
   16    HA   PRO   4           HA       PRO   4  -2.750  -0.495   5.461
   17   2HB   PRO   4          HB2       PRO   4  -3.180   1.345   6.831
   18   2HG   PRO   4          HG2       PRO   4  -3.259   3.576   5.939
   19   2HD   PRO   4          HD2       PRO   4  -1.130   2.715   5.325
   20    H    PHE   5           H        PHE   5  -5.136  -1.088   5.126
   21    HA   PHE   5           HA       PHE   5  -5.795  -1.777   2.539
   22   2HB   PHE   5          HB2       PHE   5  -7.985  -2.263   3.332
   23    HD1  PHE   5           HD1      PHE   5  -6.163  -4.188   3.576
   24    HD2  PHE   5           HD2      PHE   5  -7.318  -1.544   6.792
   25    HE1  PHE   5           HE1      PHE   5  -4.994  -5.639   5.210
   26    HE2  PHE   5           HE2      PHE   5  -6.118  -2.995   8.399
   27    HZ   PHE   5           HZ       PHE   5  -4.910  -5.010   7.591
   28    H    GLY   6           H        GLY   6  -6.915   1.134   4.302
   29   1HA   GLY   6          HA2       GLY   6  -8.109   2.361   1.910
   30   2HA   GLY   6          HA3       GLY   6  -7.965   3.055   3.532
   31    H    GLY   7           H        GLY   7  -5.657   1.801   1.073
   32   1HA   GLY   7          HA2       GLY   7  -4.467   4.374   0.517
   33   2HA   GLY   7          HA3       GLY   7  -3.498   3.467   1.697
   34    H    CYS   8           H        CYS   8  -3.751   0.860   0.835
   35    HA   CYS   8           HA       CYS   8  -1.709   0.738  -1.059
   36   2HB   CYS   8          HB2       CYS   8  -3.669  -1.392  -0.150
   37    H    HIS   9           H        HIS   9  -1.567   0.725  -3.201
   38    HA   HIS   9           HA       HIS   9  -3.720  -0.213  -4.904
   39   2HB   HIS   9          HB2       HIS   9  -3.104   1.603  -6.537
   40    HD1  HIS   9           HD1      HIS   9  -3.843   3.121  -3.018
   41    HD2  HIS   9           HD2      HIS   9  -5.615   2.302  -6.753
   42    HE1  HIS   9           HE1      HIS   9  -6.182   4.126  -2.956
   43    H    GLU  10           H        GLU  10  -2.430  -0.574  -7.124
   44    HA   GLU  10           HA       GLU  10  -0.380  -2.381  -6.638
   45   2HB   GLU  10          HB2       GLU  10  -0.034  -2.371  -9.053
   46   2HG   GLU  10          HG2       GLU  10  -2.966  -1.622  -8.620
   47    H    LEU  11           H        LEU  11  -0.164   1.034  -7.083
   48    HA   LEU  11           HA       LEU  11   2.555   1.407  -7.720
   49   2HB   LEU  11          HB2       LEU  11   1.109   3.245  -5.793
   50    HG   LEU  11           HG       LEU  11   2.525   3.802  -8.447
   51   1HD1  LEU  11          1HD1      LEU  11   2.260   6.164  -7.808
   52   2HD1  LEU  11          2HD1      LEU  11   0.685   5.361  -7.899
   53   3HD1  LEU  11          3HD1      LEU  11   1.426   5.684  -6.316
   54   1HD2  LEU  11          1HD2      LEU  11   4.203   5.024  -6.985
   55   2HD2  LEU  11          2HD2      LEU  11   3.495   4.196  -5.583
   56   3HD2  LEU  11          3HD2      LEU  11   4.278   3.269  -6.889
   57    H    CYS  12           H        CYS  12   0.986   0.620  -4.624
   58    HA   CYS  12           HA       CYS  12   3.453   1.300  -3.107
   59   2HB   CYS  12          HB2       CYS  12   0.689   0.653  -2.053
   60    H    TYR  13           H        TYR  13   4.807  -0.454  -3.560
   61    HA   TYR  13           HA       TYR  13   4.375  -3.047  -3.871
   62   2HB   TYR  13          HB2       TYR  13   6.693  -3.146  -2.917
   63    HD1  TYR  13           HD2      TYR  13   6.793  -3.857  -5.284
   64    HD2  TYR  13           HD1      TYR  13   6.743   0.309  -4.157
   65    HE1  TYR  13           HE2      TYR  13   7.586  -3.225  -7.549
   66    HE2  TYR  13           HE1      TYR  13   7.479   0.933  -6.426
   67    HH   TYR  13           HH       TYR  13   8.085   0.175  -8.518
   68    H    CYS  14           H        CYS  14   4.702  -1.439  -0.662
   69    HA   CYS  14           HA       CYS  14   5.040  -3.881   0.740
   70   2HB   CYS  14          HB2       CYS  14   4.170  -1.172   1.810
   71    H    CYS  15           H        CYS  15   2.139  -1.801   0.668
   72    HA   CYS  15           HA       CYS  15  -0.074  -2.219   0.943
   73   2HB   CYS  15          HB2       CYS  15   0.638  -4.773  -0.502
   74    H    ASP  16           H        ASP  16  -0.277  -2.453   3.208
   75    HA   ASP  16           HA       ASP  16   0.258  -3.665   5.228
   76   2HB   ASP  16          HB2       ASP  16  -2.527  -3.886   4.119
  Start of MODEL    7
    1   1H    VAL   1          H         VAL   1   6.862   3.647   4.597
    2    HA   VAL   1           HA       VAL   1   6.389   2.142   6.916
    3    HB   VAL   1           HB       VAL   1   4.174   3.125   7.528
    4   1HG1  VAL   1          1HG1      VAL   1   5.041   4.956   8.896
    5   2HG1  VAL   1          2HG1      VAL   1   6.180   3.598   8.885
    6   3HG1  VAL   1          3HG1      VAL   1   6.511   5.043   7.905
    7   1HG2  VAL   1          1HG2      VAL   1   3.728   4.424   5.449
    8   2HG2  VAL   1          2HG2      VAL   1   3.608   5.421   6.905
    9   3HG2  VAL   1          3HG2      VAL   1   5.044   5.538   5.873
   10    H    CYS   2           H        CYS   2   4.191   0.977   6.606
   11    HA   CYS   2           HA       CYS   2   3.953   0.118   3.819
   12   2HB   CYS   2          HB2       CYS   2   1.942  -0.568   5.961
   13    H    CYS   3           H        CYS   3   1.627   0.112   2.834
   14    HA   CYS   3           HA       CYS   3   0.218   2.660   3.507
   15   2HB   CYS   3          HB2       CYS   3  -1.191   2.119   1.609
   16    HA   PRO   4           HA       PRO   4  -2.594  -0.117   5.761
   17   2HB   PRO   4          HB2       PRO   4  -3.298   1.720   6.969
   18   2HG   PRO   4          HG2       PRO   4  -3.458   3.890   5.954
   19   2HD   PRO   4          HD2       PRO   4  -1.236   3.161   5.510
   20    H    PHE   5           H        PHE   5  -4.568  -1.344   5.146
   21    HA   PHE   5           HA       PHE   5  -5.082  -1.821   2.456
   22   2HB   PHE   5          HB2       PHE   5  -7.472  -2.437   3.232
   23    HD1  PHE   5           HD2      PHE   5  -6.042  -4.164   1.912
   24    HD2  PHE   5           HD1      PHE   5  -5.862  -3.661   6.196
   25    HE1  PHE   5           HE2      PHE   5  -5.146  -6.465   2.156
   26    HE2  PHE   5           HE1      PHE   5  -4.897  -5.913   6.417
   27    HZ   PHE   5           HZ       PHE   5  -4.582  -7.348   4.410
   28    H    GLY   6           H        GLY   6  -6.711   0.629   4.478
   29   1HA   GLY   6          HA2       GLY   6  -8.203   1.797   2.232
   30   2HA   GLY   6          HA3       GLY   6  -8.061   2.421   3.881
   31    H    GLY   7           H        GLY   7  -5.844   1.731   1.130
   32   1HA   GLY   7          HA2       GLY   7  -5.055   4.393   0.581
   33   2HA   GLY   7          HA3       GLY   7  -3.949   3.761   1.817
   34    H    CYS   8           H        CYS   8  -3.851   1.056   1.024
   35    HA   CYS   8           HA       CYS   8  -1.707   1.045  -0.737
   36   2HB   CYS   8          HB2       CYS   8  -3.668  -1.134   0.037
   37    H    HIS   9           H        HIS   9  -1.378   0.906  -2.912
   38    HA   HIS   9           HA       HIS   9  -3.492  -0.001  -4.678
   39   2HB   HIS   9          HB2       HIS   9  -2.671   1.643  -6.369
   40    HD1  HIS   9           HD1      HIS   9  -3.622   3.257  -2.926
   41    HD2  HIS   9           HD2      HIS   9  -4.952   2.694  -6.887
   42    HE1  HIS   9           HE1      HIS   9  -5.837   4.478  -3.134
   43    H    GLU  10           H        GLU  10  -1.887  -0.364  -6.844
   44    HA   GLU  10           HA       GLU  10  -0.183  -2.527  -5.961
   45   2HB   GLU  10          HB2       GLU  10  -1.035  -3.059  -8.011
   46   2HG   GLU  10          HG2       GLU  10  -2.346  -1.101  -8.600
   47    H    LEU  11           H        LEU  11   0.279   0.856  -6.769
   48    HA   LEU  11           HA       LEU  11   3.047   0.987  -7.101
   49   2HB   LEU  11          HB2       LEU  11   2.608   3.281  -5.920
   50    HG   LEU  11           HG       LEU  11   1.214   2.334  -8.429
   51   1HD1  LEU  11          1HD1      LEU  11   0.549   4.675  -8.879
   52   2HD1  LEU  11          2HD1      LEU  11  -0.276   4.026  -7.453
   53   3HD1  LEU  11          3HD1      LEU  11   1.094   5.145  -7.251
   54   1HD2  LEU  11          1HD2      LEU  11   2.799   3.865  -9.516
   55   2HD2  LEU  11          2HD2      LEU  11   3.439   4.361  -7.936
   56   3HD2  LEU  11          3HD2      LEU  11   3.668   2.696  -8.511
   57    H    CYS  12           H        CYS  12   1.154   0.558  -4.105
   58    HA   CYS  12           HA       CYS  12   3.554   1.258  -2.474
   59   2HB   CYS  12          HB2       CYS  12   0.712   0.915  -1.514
   60    H    TYR  13           H        TYR  13   4.448  -0.813  -3.287
   61    HA   TYR  13           HA       TYR  13   3.668  -3.233  -3.434
   62   2HB   TYR  13          HB2       TYR  13   5.983  -3.780  -2.958
   63    HD1  TYR  13           HD2      TYR  13   5.245  -3.740  -5.458
   64    HD2  TYR  13           HD1      TYR  13   7.063  -0.402  -3.415
   65    HE1  TYR  13           HE2      TYR  13   5.908  -2.770  -7.632
   66    HE2  TYR  13           HE1      TYR  13   7.725   0.565  -5.599
   67    HH   TYR  13           HH       TYR  13   6.945  -1.015  -8.704
   68    H    CYS  14           H        CYS  14   4.680  -1.856  -0.355
   69    HA   CYS  14           HA       CYS  14   4.791  -4.223   1.202
   70   2HB   CYS  14          HB2       CYS  14   4.154  -1.366   2.035
   71    H    CYS  15           H        CYS  15   2.110  -1.959   0.803
   72    HA   CYS  15           HA       CYS  15  -0.119  -2.094   1.152
   73   2HB   CYS  15          HB2       CYS  15   0.344  -4.791  -0.174
   74    H    ASP  16           H        ASP  16  -0.417  -2.231   3.417
   75    HA   ASP  16           HA       ASP  16  -0.410  -4.205   5.275
   76   2HB   ASP  16          HB2       ASP  16  -2.398  -2.080   4.554
  Start of MODEL    8
    1   1H    VAL   1          H         VAL   1   6.472   3.529   5.186
    2    HA   VAL   1           HA       VAL   1   5.866   1.993   7.456
    3    HB   VAL   1           HB       VAL   1   3.579   2.874   7.890
    4   1HG1  VAL   1          1HG1      VAL   1   5.461   3.489   9.373
    5   2HG1  VAL   1          2HG1      VAL   1   5.762   4.941   8.393
    6   3HG1  VAL   1          3HG1      VAL   1   4.238   4.770   9.284
    7   1HG2  VAL   1          1HG2      VAL   1   3.195   4.107   5.770
    8   2HG2  VAL   1          2HG2      VAL   1   2.945   5.139   7.184
    9   3HG2  VAL   1          3HG2      VAL   1   4.433   5.294   6.232
   10    H    CYS   2           H        CYS   2   3.788   0.689   6.936
   11    HA   CYS   2           HA       CYS   2   3.868  -0.051   4.093
   12   2HB   CYS   2          HB2       CYS   2   1.909  -1.175   6.093
   13    H    CYS   3           H        CYS   3   1.636  -0.346   2.985
   14    HA   CYS   3           HA       CYS   3   0.093   2.164   3.373
   15   2HB   CYS   3          HB2       CYS   3  -0.982   1.540   1.287
   16    HA   PRO   4           HA       PRO   4  -2.835  -0.623   5.477
   17   2HB   PRO   4          HB2       PRO   4  -3.359   1.173   6.862
   18   2HG   PRO   4          HG2       PRO   4  -3.414   3.422   6.021
   19   2HD   PRO   4          HD2       PRO   4  -1.258   2.580   5.461
   20    H    PHE   5           H        PHE   5  -5.203  -1.261   5.073
   21    HA   PHE   5           HA       PHE   5  -5.697  -1.971   2.447
   22   2HB   PHE   5          HB2       PHE   5  -7.830  -2.672   3.146
   23    HD1  PHE   5           HD2      PHE   5  -5.659  -4.256   3.659
   24    HD2  PHE   5           HD1      PHE   5  -7.734  -1.859   6.593
   25    HE1  PHE   5           HE2      PHE   5  -4.437  -5.408   5.491
   26    HE2  PHE   5           HE1      PHE   5  -6.518  -3.033   8.400
   27    HZ   PHE   5           HZ       PHE   5  -4.816  -4.763   7.833
   28    H    GLY   6           H        GLY   6  -7.043   0.851   4.192
   29   1HA   GLY   6          HA2       GLY   6  -8.164   2.079   1.762
   30   2HA   GLY   6          HA3       GLY   6  -8.123   2.748   3.400
   31    H    GLY   7           H        GLY   7  -5.679   1.622   1.018
   32   1HA   GLY   7          HA2       GLY   7  -4.519   4.229   0.581
   33   2HA   GLY   7          HA3       GLY   7  -3.590   3.319   1.789
   34    H    CYS   8           H        CYS   8  -3.785   0.713   0.830
   35    HA   CYS   8           HA       CYS   8  -1.648   0.681  -0.986
   36   2HB   CYS   8          HB2       CYS   8  -3.600  -1.505  -0.199
   37    H    HIS   9           H        HIS   9  -1.500   0.910  -3.111
   38    HA   HIS   9           HA       HIS   9  -3.589  -0.072  -4.915
   39   2HB   HIS   9          HB2       HIS   9  -2.973   1.793  -6.466
   40    HD1  HIS   9           HD1      HIS   9  -5.153   1.358  -3.631
   41    HD2  HIS   9           HD2      HIS   9  -3.873   4.619  -5.964
   42    HE1  HIS   9           HE1      HIS   9  -6.892   3.200  -3.332
   43    H    GLU  10           H        GLU  10  -2.276  -0.354  -7.111
   44    HA   GLU  10           HA       GLU  10  -0.230  -2.172  -6.707
   45   2HB   GLU  10          HB2       GLU  10  -1.523  -2.046  -8.763
   46   2HG   GLU  10          HG2       GLU  10  -0.069   0.554  -9.423
   47    H    LEU  11           H        LEU  11   0.078   1.322  -6.902
   48    HA   LEU  11           HA       LEU  11   2.791   1.601  -7.496
   49   2HB   LEU  11          HB2       LEU  11   2.407   3.764  -6.153
   50    HG   LEU  11           HG       LEU  11   0.674   2.885  -8.469
   51   1HD1  LEU  11          1HD1      LEU  11   0.631   5.629  -7.134
   52   2HD1  LEU  11          2HD1      LEU  11  -0.148   5.215  -8.677
   53   3HD1  LEU  11          3HD1      LEU  11  -0.711   4.465  -7.173
   54   1HD2  LEU  11          1HD2      LEU  11   3.066   3.374  -8.913
   55   2HD2  LEU  11          2HD2      LEU  11   2.005   4.555  -9.694
   56   3HD2  LEU  11          3HD2      LEU  11   2.865   4.990  -8.204
   57    H    CYS  12           H        CYS  12   1.186   0.626  -4.483
   58    HA   CYS  12           HA       CYS  12   3.612   1.272  -2.883
   59   2HB   CYS  12          HB2       CYS  12   0.816   0.607  -1.927
   60    H    TYR  13           H        TYR  13   5.015  -0.444  -3.152
   61    HA   TYR  13           HA       TYR  13   4.491  -3.056  -3.629
   62   2HB   TYR  13          HB2       TYR  13   6.824  -3.178  -2.533
   63    HD1  TYR  13           HD1      TYR  13   6.541   0.051  -4.395
   64    HD2  TYR  13           HD2      TYR  13   7.328  -4.188  -4.650
   65    HE1  TYR  13           HE1      TYR  13   7.270   0.328  -6.727
   66    HE2  TYR  13           HE2      TYR  13   8.130  -3.886  -6.977
   67    HH   TYR  13           HH       TYR  13   8.090  -0.714  -8.616
   68    H    CYS  14           H        CYS  14   4.770  -1.480  -0.404
   69    HA   CYS  14           HA       CYS  14   5.069  -3.928   1.003
   70   2HB   CYS  14          HB2       CYS  14   4.133  -1.232   2.050
   71    H    CYS  15           H        CYS  15   2.172  -1.856   0.838
   72    HA   CYS  15           HA       CYS  15  -0.045  -2.273   0.985
   73   2HB   CYS  15          HB2       CYS  15   0.741  -4.828  -0.424
   74    H    ASP  16           H        ASP  16  -0.327  -2.508   3.252
   75    HA   ASP  16           HA       ASP  16   0.361  -4.587   4.894
   76   2HB   ASP  16          HB2       ASP  16  -2.129  -2.847   5.086
  Start of MODEL    9
    1   1H    VAL   1          H         VAL   1   6.946   4.184   4.469
    2    HA   VAL   1           HA       VAL   1   6.693   2.456   6.661
    3    HB   VAL   1           HB       VAL   1   4.451   3.211   7.461
    4   1HG1  VAL   1          1HG1      VAL   1   6.488   3.724   8.757
    5   2HG1  VAL   1          2HG1      VAL   1   6.654   5.268   7.896
    6   3HG1  VAL   1          3HG1      VAL   1   5.251   4.981   8.944
    7   1HG2  VAL   1          1HG2      VAL   1   3.685   5.501   7.070
    8   2HG2  VAL   1          2HG2      VAL   1   5.050   5.813   5.982
    9   3HG2  VAL   1          3HG2      VAL   1   3.797   4.639   5.530
   10    H    CYS   2           H        CYS   2   4.555   1.171   6.345
   11    HA   CYS   2           HA       CYS   2   4.281   0.516   3.508
   12   2HB   CYS   2          HB2       CYS   2   2.406  -0.491   5.648
   13    H    CYS   3           H        CYS   3   1.930   0.392   2.596
   14    HA   CYS   3           HA       CYS   3   0.335   2.754   3.478
   15   2HB   CYS   3          HB2       CYS   3  -1.196   2.078   1.719
   16    HA   PRO   4           HA       PRO   4  -1.900  -0.361   5.944
   17   2HB   PRO   4          HB2       PRO   4  -2.616   1.381   7.304
   18   2HG   PRO   4          HG2       PRO   4  -3.122   3.544   6.393
   19   2HD   PRO   4          HD2       PRO   4  -0.912   3.064   5.649
   20    H    PHE   5           H        PHE   5  -3.749  -1.777   5.528
   21    HA   PHE   5           HA       PHE   5  -4.496  -2.352   2.988
   22   2HB   PHE   5          HB2       PHE   5  -6.142  -2.585   5.549
   23    HD1  PHE   5           HD1      PHE   5  -5.253  -4.852   2.741
   24    HD2  PHE   5           HD2      PHE   5  -8.415  -2.779   4.780
   25    HE1  PHE   5           HE1      PHE   5  -6.943  -6.088   1.372
   26    HE2  PHE   5           HE2      PHE   5 -10.105  -3.995   3.419
   27    HZ   PHE   5           HZ       PHE   5  -9.370  -5.656   1.718
   28    H    GLY   6           H        GLY   6  -6.301  -0.164   5.163
   29   1HA   GLY   6          HA2       GLY   6  -8.102   0.799   3.044
   30   2HA   GLY   6          HA3       GLY   6  -7.948   1.410   4.698
   31    H    GLY   7           H        GLY   7  -5.831   1.089   1.808
   32   1HA   GLY   7          HA2       GLY   7  -5.448   3.877   1.339
   33   2HA   GLY   7          HA3       GLY   7  -4.160   3.296   2.412
   34    H    CYS   8           H        CYS   8  -3.816   0.682   1.413
   35    HA   CYS   8           HA       CYS   8  -1.882   1.088  -0.520
   36   2HB   CYS   8          HB2       CYS   8  -3.448  -1.418   0.168
   37    H    HIS   9           H        HIS   9  -1.737   1.208  -2.674
   38    HA   HIS   9           HA       HIS   9  -3.837   0.148  -4.397
   39   2HB   HIS   9          HB2       HIS   9  -3.308   1.977  -6.013
   40    HD1  HIS   9           HD1      HIS   9  -4.253   3.143  -2.380
   41    HD2  HIS   9           HD2      HIS   9  -5.668   2.966  -6.351
   42    HE1  HIS   9           HE1      HIS   9  -6.561   4.199  -2.384
   43    H    GLU  10           H        GLU  10  -2.588  -0.233  -6.567
   44    HA   GLU  10           HA       GLU  10  -0.567  -2.031  -5.949
   45   2HB   GLU  10          HB2       GLU  10  -1.969  -2.239  -7.923
   46   2HG   GLU  10          HG2       GLU  10  -0.480   0.142  -9.111
   47    H    LEU  11           H        LEU  11  -0.142   1.386  -6.496
   48    HA   LEU  11           HA       LEU  11   2.581   1.353  -7.359
   49   2HB   LEU  11          HB2       LEU  11   2.473   3.673  -6.519
   50    HG   LEU  11           HG       LEU  11   1.470   2.907  -8.835
   51   1HD1  LEU  11          1HD1      LEU  11  -0.878   3.742  -9.114
   52   2HD1  LEU  11          2HD1      LEU  11  -0.817   2.309  -8.101
   53   3HD1  LEU  11          3HD1      LEU  11  -1.017   3.906  -7.354
   54   1HD2  LEU  11          1HD2      LEU  11   2.418   5.123  -8.354
   55   2HD2  LEU  11          2HD2      LEU  11   0.947   5.273  -9.325
   56   3HD2  LEU  11          3HD2      LEU  11   0.896   5.625  -7.584
   57    H    CYS  12           H        CYS  12   0.960   1.051  -4.224
   58    HA   CYS  12           HA       CYS  12   3.336   2.007  -2.761
   59   2HB   CYS  12          HB2       CYS  12   0.689   1.085  -1.619
   60    H    TYR  13           H        TYR  13   4.512   0.268  -3.672
   61    HA   TYR  13           HA       TYR  13   4.420  -2.249  -4.008
   62   2HB   TYR  13          HB2       TYR  13   6.780  -1.193  -2.395
   63    HD1  TYR  13           HD1      TYR  13   7.373  -3.658  -2.055
   64    HD2  TYR  13           HD2      TYR  13   7.024  -1.851  -5.958
   65    HE1  TYR  13           HE1      TYR  13   8.767  -5.458  -3.014
   66    HE2  TYR  13           HE2      TYR  13   8.442  -3.648  -6.909
   67    HH   TYR  13           HH       TYR  13   9.780  -6.289  -4.912
   68    H    CYS  14           H        CYS  14   5.026  -1.015  -0.819
   69    HA   CYS  14           HA       CYS  14   5.472  -3.502   0.554
   70   2HB   CYS  14          HB2       CYS  14   4.551  -0.809   1.623
   71    H    CYS  15           H        CYS  15   2.558  -1.509   0.382
   72    HA   CYS  15           HA       CYS  15   0.374  -1.865   0.806
   73   2HB   CYS  15          HB2       CYS  15   1.013  -4.428  -0.697
   74    H    ASP  16           H        ASP  16  -0.016  -2.162   3.066
   75    HA   ASP  16           HA       ASP  16   0.105  -4.666   4.451
   76   2HB   ASP  16          HB2       ASP  16  -1.607  -2.204   4.659
  Start of MODEL   10
    1   1H    VAL   1          H         VAL   1   6.864   4.263   4.426
    2    HA   VAL   1           HA       VAL   1   6.607   2.555   6.629
    3    HB   VAL   1           HB       VAL   1   4.382   3.340   7.447
    4   1HG1  VAL   1          1HG1      VAL   1   6.615   5.373   7.850
    5   2HG1  VAL   1          2HG1      VAL   1   5.219   5.107   8.914
    6   3HG1  VAL   1          3HG1      VAL   1   6.437   3.834   8.721
    7   1HG2  VAL   1          1HG2      VAL   1   3.725   4.764   5.516
    8   2HG2  VAL   1          2HG2      VAL   1   3.641   5.637   7.052
    9   3HG2  VAL   1          3HG2      VAL   1   4.996   5.926   5.947
   10    H    CYS   2           H        CYS   2   4.434   1.309   6.342
   11    HA   CYS   2           HA       CYS   2   4.155   0.620   3.514
   12   2HB   CYS   2          HB2       CYS   2   2.262  -0.356   5.650
   13    H    CYS   3           H        CYS   3   1.822   0.505   2.590
   14    HA   CYS   3           HA       CYS   3   0.203   2.852   3.485
   15   2HB   CYS   3          HB2       CYS   3  -1.305   2.189   1.696
   16    HA   PRO   4           HA       PRO   4  -2.006  -0.237   5.940
   17   2HB   PRO   4          HB2       PRO   4  -2.733   1.537   7.247
   18   2HG   PRO   4          HG2       PRO   4  -3.338   3.648   6.267
   19   2HD   PRO   4          HD2       PRO   4  -1.120   3.197   5.533
   20    H    PHE   5           H        PHE   5  -3.861  -1.647   5.662
   21    HA   PHE   5           HA       PHE   5  -4.555  -2.415   3.148
   22   2HB   PHE   5          HB2       PHE   5  -6.598  -2.603   5.393
   23    HD1  PHE   5           HD1      PHE   5  -8.076  -3.103   3.251
   24    HD2  PHE   5           HD2      PHE   5  -4.743  -5.542   4.520
   25    HE1  PHE   5           HE1      PHE   5  -8.950  -4.998   1.920
   26    HE2  PHE   5           HE2      PHE   5  -5.625  -7.431   3.183
   27    HZ   PHE   5           HZ       PHE   5  -7.731  -7.167   1.884
   28    H    GLY   6           H        GLY   6  -6.514  -0.196   5.145
   29   1HA   GLY   6          HA2       GLY   6  -8.268   0.581   2.909
   30   2HA   GLY   6          HA3       GLY   6  -8.236   1.251   4.547
   31    H    GLY   7           H        GLY   7  -5.920   0.954   1.803
   32   1HA   GLY   7          HA2       GLY   7  -5.687   3.782   1.331
   33   2HA   GLY   7          HA3       GLY   7  -4.397   3.239   2.420
   34    H    CYS   8           H        CYS   8  -3.912   0.663   1.378
   35    HA   CYS   8           HA       CYS   8  -1.939   1.156  -0.462
   36   2HB   CYS   8          HB2       CYS   8  -3.521  -1.381   0.051
   37    H    HIS   9           H        HIS   9  -1.633   1.260  -2.627
   38    HA   HIS   9           HA       HIS   9  -3.699   0.370  -4.491
   39   2HB   HIS   9          HB2       HIS   9  -2.954   2.162  -6.037
   40    HD1  HIS   9           HD1      HIS   9  -5.137   1.981  -3.144
   41    HD2  HIS   9           HD2      HIS   9  -3.725   5.017  -5.697
   42    HE1  HIS   9           HE1      HIS   9  -6.752   3.944  -2.914
   43    H    GLU  10           H        GLU  10  -2.348  -0.141  -6.564
   44    HA   GLU  10           HA       GLU  10  -0.353  -2.001  -5.779
   45   2HB   GLU  10          HB2       GLU  10  -1.647  -2.438  -7.758
   46   2HG   GLU  10          HG2       GLU  10  -1.025  -1.013  -9.875
   47    H    LEU  11           H        LEU  11  -0.055   1.378  -6.475
   48    HA   LEU  11           HA       LEU  11   2.679   1.483  -7.265
   49   2HB   LEU  11          HB2       LEU  11   2.349   3.859  -6.318
   50    HG   LEU  11           HG       LEU  11   0.593   2.629  -8.454
   51   1HD1  LEU  11          1HD1      LEU  11  -0.744   4.453  -7.469
   52   2HD1  LEU  11          2HD1      LEU  11   0.633   5.568  -7.628
   53   3HD1  LEU  11          3HD1      LEU  11  -0.159   4.910  -9.078
   54   1HD2  LEU  11          1HD2      LEU  11   2.997   2.962  -8.970
   55   2HD2  LEU  11          2HD2      LEU  11   1.975   4.020  -9.952
   56   3HD2  LEU  11          3HD2      LEU  11   2.849   4.682  -8.557
   57    H    CYS  12           H        CYS  12   1.001   1.206  -4.147
   58    HA   CYS  12           HA       CYS  12   3.366   2.144  -2.643
   59   2HB   CYS  12          HB2       CYS  12   0.666   1.295  -1.566
   60    H    TYR  13           H        TYR  13   4.446   0.312  -3.593
   61    HA   TYR  13           HA       TYR  13   4.117  -2.196  -3.900
   62   2HB   TYR  13          HB2       TYR  13   6.662  -1.356  -2.454
   63    HD1  TYR  13           HD1      TYR  13   7.241  -3.773  -2.164
   64    HD2  TYR  13           HD2      TYR  13   6.345  -2.108  -6.040
   65    HE1  TYR  13           HE1      TYR  13   8.338  -5.705  -3.247
   66    HE2  TYR  13           HE2      TYR  13   7.455  -4.044  -7.123
   67    HH   TYR  13           HH       TYR  13   8.949  -6.688  -5.242
   68    H    CYS  14           H        CYS  14   4.974  -0.982  -0.764
   69    HA   CYS  14           HA       CYS  14   5.379  -3.441   0.646
   70   2HB   CYS  14          HB2       CYS  14   4.488  -0.718   1.669
   71    H    CYS  15           H        CYS  15   2.493  -1.426   0.411
   72    HA   CYS  15           HA       CYS  15   0.293  -1.769   0.794
   73   2HB   CYS  15          HB2       CYS  15   1.008  -4.314  -0.708
   74    H    ASP  16           H        ASP  16  -0.101  -2.087   3.077
   75    HA   ASP  16           HA       ASP  16  -0.228  -4.719   4.287
   76   2HB   ASP  16          HB2       ASP  16  -1.608  -2.084   4.737
  Start of MODEL   11
    1   1H    VAL   1          H         VAL   1   6.524   4.396   4.902
    2    HA   VAL   1           HA       VAL   1   6.310   2.368   6.826
    3    HB   VAL   1           HB       VAL   1   4.040   2.920   7.690
    4   1HG1  VAL   1          1HG1      VAL   1   4.748   4.516   9.400
    5   2HG1  VAL   1          2HG1      VAL   1   6.048   3.357   9.064
    6   3HG1  VAL   1          3HG1      VAL   1   6.138   5.008   8.413
    7   1HG2  VAL   1          1HG2      VAL   1   4.527   5.711   6.552
    8   2HG2  VAL   1          2HG2      VAL   1   3.323   4.550   5.957
    9   3HG2  VAL   1          3HG2      VAL   1   3.179   5.214   7.589
   10    H    CYS   2           H        CYS   2   4.251   1.038   6.274
   11    HA   CYS   2           HA       CYS   2   4.054   0.874   3.346
   12   2HB   CYS   2          HB2       CYS   2   2.476  -0.752   5.357
   13    H    CYS   3           H        CYS   3   1.643   0.542   2.449
   14    HA   CYS   3           HA       CYS   3   0.223   2.968   3.344
   15   2HB   CYS   3          HB2       CYS   3  -0.481   3.296   1.285
   16    HA   PRO   4           HA       PRO   4  -2.304   0.100   5.551
   17   2HB   PRO   4          HB2       PRO   4  -3.013   1.857   6.835
   18   2HG   PRO   4          HG2       PRO   4  -3.440   4.014   5.857
   19   2HD   PRO   4          HD2       PRO   4  -1.224   3.358   5.239
   20    H    PHE   5           H        PHE   5  -4.104  -1.378   5.227
   21    HA   PHE   5           HA       PHE   5  -5.136  -1.996   2.736
   22   2HB   PHE   5          HB2       PHE   5  -7.247  -2.773   3.941
   23    HD1  PHE   5           HD1      PHE   5  -5.919  -4.524   2.600
   24    HD2  PHE   5           HD2      PHE   5  -4.993  -3.479   6.684
   25    HE1  PHE   5           HE1      PHE   5  -4.597  -6.606   2.842
   26    HE2  PHE   5           HE2      PHE   5  -3.614  -5.502   6.889
   27    HZ   PHE   5           HZ       PHE   5  -3.429  -7.097   4.984
   28    H    GLY   6           H        GLY   6  -6.573   0.436   4.918
   29   1HA   GLY   6          HA2       GLY   6  -8.517   1.348   2.908
   30   2HA   GLY   6          HA3       GLY   6  -8.162   2.075   4.480
   31    H    GLY   7           H        GLY   7  -6.374   1.417   1.412
   32   1HA   GLY   7          HA2       GLY   7  -5.954   4.100   0.636
   33   2HA   GLY   7          HA3       GLY   7  -4.614   3.661   1.711
   34    H    CYS   8           H        CYS   8  -4.228   0.988   1.050
   35    HA   CYS   8           HA       CYS   8  -2.351   1.141  -0.947
   36   2HB   CYS   8          HB2       CYS   8  -3.901  -1.219   0.145
   37    H    HIS   9           H        HIS   9  -2.269   1.066  -3.102
   38    HA   HIS   9           HA       HIS   9  -4.416  -0.089  -4.736
   39   2HB   HIS   9          HB2       HIS   9  -3.879   1.763  -6.421
   40    HD1  HIS   9           HD1      HIS   9  -5.879   1.515  -3.253
   41    HD2  HIS   9           HD2      HIS   9  -5.458   4.015  -6.613
   42    HE1  HIS   9           HE1      HIS   9  -7.965   2.974  -3.345
   43    H    GLU  10           H        GLU  10  -3.152  -0.127  -7.086
   44    HA   GLU  10           HA       GLU  10  -1.187  -2.030  -6.918
   45   2HB   GLU  10          HB2       GLU  10  -2.431  -1.592  -8.949
   46   2HG   GLU  10          HG2       GLU  10  -0.905   1.033  -9.259
   47    H    LEU  11           H        LEU  11  -0.665   1.448  -6.880
   48    HA   LEU  11           HA       LEU  11   2.109   1.447  -7.407
   49   2HB   LEU  11          HB2       LEU  11   1.046   3.511  -5.508
   50    HG   LEU  11           HG       LEU  11   2.222   3.720  -8.322
   51   1HD1  LEU  11          1HD1      LEU  11   1.697   5.850  -6.203
   52   2HD1  LEU  11          2HD1      LEU  11   2.441   6.120  -7.793
   53   3HD1  LEU  11          3HD1      LEU  11   0.750   5.603  -7.686
   54   1HD2  LEU  11          1HD2      LEU  11   4.245   4.667  -7.136
   55   2HD2  LEU  11          2HD2      LEU  11   3.557   4.093  -5.603
   56   3HD2  LEU  11          3HD2      LEU  11   4.008   2.939  -6.884
   57    H    CYS  12           H        CYS  12   0.362   0.525  -4.508
   58    HA   CYS  12           HA       CYS  12   2.531   1.201  -2.677
   59   2HB   CYS  12          HB2       CYS  12   0.114  -0.512  -2.089
   60    H    TYR  13           H        TYR  13   4.325   0.029  -3.246
   61    HA   TYR  13           HA       TYR  13   4.618  -2.465  -4.208
   62   2HB   TYR  13          HB2       TYR  13   6.481  -1.488  -2.009
   63    HD1  TYR  13           HD2      TYR  13   7.389  -3.837  -1.951
   64    HD2  TYR  13           HD1      TYR  13   7.226  -1.557  -5.608
   65    HE1  TYR  13           HE2      TYR  13   8.944  -5.435  -3.017
   66    HE2  TYR  13           HE1      TYR  13   8.796  -3.157  -6.670
   67    HH   TYR  13           HH       TYR  13  10.089  -6.000  -4.937
   68    H    CYS  14           H        CYS  14   4.476  -1.729  -0.740
   69    HA   CYS  14           HA       CYS  14   4.768  -4.566   0.017
   70   2HB   CYS  14          HB2       CYS  14   5.981  -2.953   1.255
   71    H    CYS  15           H        CYS  15   2.395  -2.055   0.368
   72    HA   CYS  15           HA       CYS  15   0.164  -1.918   0.739
   73   2HB   CYS  15          HB2       CYS  15   0.236  -4.648  -0.614
   74    H    ASP  16           H        ASP  16  -0.109  -1.922   3.005
   75    HA   ASP  16           HA       ASP  16  -0.785  -4.435   4.381
   76   2HB   ASP  16          HB2       ASP  16  -0.879  -1.478   5.053
  Start of MODEL   12
    1   1H    VAL   1          H         VAL   1   6.993   4.253   5.066
    2    HA   VAL   1           HA       VAL   1   6.422   2.409   7.112
    3    HB   VAL   1           HB       VAL   1   4.137   3.209   7.680
    4   1HG1  VAL   1          1HG1      VAL   1   6.029   3.640   9.215
    5   2HG1  VAL   1          2HG1      VAL   1   6.310   5.210   8.432
    6   3HG1  VAL   1          3HG1      VAL   1   4.795   4.910   9.307
    7   1HG2  VAL   1          1HG2      VAL   1   3.715   4.706   5.749
    8   2HG2  VAL   1          2HG2      VAL   1   3.484   5.545   7.287
    9   3HG2  VAL   1          3HG2      VAL   1   4.956   5.830   6.343
   10    H    CYS   2           H        CYS   2   4.390   1.150   6.437
   11    HA   CYS   2           HA       CYS   2   4.315   0.934   3.484
   12   2HB   CYS   2          HB2       CYS   2   2.745  -0.731   5.470
   13    H    CYS   3           H        CYS   3   1.918   0.588   2.572
   14    HA   CYS   3           HA       CYS   3   0.481   3.005   3.462
   15   2HB   CYS   3          HB2       CYS   3  -0.386   3.221   1.437
   16    HA   PRO   4           HA       PRO   4  -1.996   0.169   5.831
   17   2HB   PRO   4          HB2       PRO   4  -2.699   1.970   7.083
   18   2HG   PRO   4          HG2       PRO   4  -3.120   4.102   6.057
   19   2HD   PRO   4          HD2       PRO   4  -0.915   3.435   5.416
   20    H    PHE   5           H        PHE   5  -3.794  -1.264   5.612
   21    HA   PHE   5           HA       PHE   5  -4.487  -2.137   3.139
   22   2HB   PHE   5          HB2       PHE   5  -6.415  -2.274   5.501
   23    HD1  PHE   5           HD1      PHE   5  -8.136  -2.754   3.566
   24    HD2  PHE   5           HD2      PHE   5  -4.707  -5.235   4.399
   25    HE1  PHE   5           HE1      PHE   5  -9.193  -4.631   2.344
   26    HE2  PHE   5           HE2      PHE   5  -5.779  -7.117   3.196
   27    HZ   PHE   5           HZ       PHE   5  -8.024  -6.820   2.164
   28    H    GLY   6           H        GLY   6  -6.486   0.105   5.073
   29   1HA   GLY   6          HA2       GLY   6  -8.292   0.754   2.838
   30   2HA   GLY   6          HA3       GLY   6  -8.243   1.496   4.445
   31    H    GLY   7           H        GLY   7  -5.998   1.122   1.663
   32   1HA   GLY   7          HA2       GLY   7  -5.790   3.900   1.007
   33   2HA   GLY   7          HA3       GLY   7  -4.508   3.475   2.157
   34    H    CYS   8           H        CYS   8  -4.050   0.795   1.304
   35    HA   CYS   8           HA       CYS   8  -2.086   1.095  -0.628
   36   2HB   CYS   8          HB2       CYS   8  -3.648  -1.308   0.344
   37    H    HIS   9           H        HIS   9  -1.884   0.774  -2.793
   38    HA   HIS   9           HA       HIS   9  -4.127   0.050  -4.517
   39   2HB   HIS   9          HB2       HIS   9  -3.296   1.976  -6.049
   40    HD1  HIS   9           HD1      HIS   9  -4.552   3.077  -2.524
   41    HD2  HIS   9           HD2      HIS   9  -5.729   2.661  -6.549
   42    HE1  HIS   9           HE1      HIS   9  -6.907   4.025  -2.699
   43    H    GLU  10           H        GLU  10  -2.888  -0.051  -6.845
   44    HA   GLU  10           HA       GLU  10  -0.978  -2.108  -6.617
   45   2HB   GLU  10          HB2       GLU  10  -2.257  -1.955  -8.613
   46   2HG   GLU  10          HG2       GLU  10  -1.567   0.005 -10.261
   47    H    LEU  11           H        LEU  11  -0.489   1.380  -6.627
   48    HA   LEU  11           HA       LEU  11   2.264   1.439  -7.298
   49   2HB   LEU  11          HB2       LEU  11   2.028   3.662  -5.982
   50    HG   LEU  11           HG       LEU  11   0.333   2.908  -8.374
   51   1HD1  LEU  11          1HD1      LEU  11  -0.903   4.681  -7.182
   52   2HD1  LEU  11          2HD1      LEU  11   0.571   5.674  -7.103
   53   3HD1  LEU  11          3HD1      LEU  11  -0.186   5.317  -8.672
   54   1HD2  LEU  11          1HD2      LEU  11   2.785   3.100  -8.726
   55   2HD2  LEU  11          2HD2      LEU  11   1.915   4.390  -9.565
   56   3HD2  LEU  11          3HD2      LEU  11   2.756   4.737  -8.042
   57    H    CYS  12           H        CYS  12   0.589   0.510  -4.334
   58    HA   CYS  12           HA       CYS  12   2.781   1.280  -2.583
   59   2HB   CYS  12          HB2       CYS  12   0.446  -0.511  -1.890
   60    H    TYR  13           H        TYR  13   4.607   0.167  -3.145
   61    HA   TYR  13           HA       TYR  13   4.988  -2.305  -4.114
   62   2HB   TYR  13          HB2       TYR  13   6.829  -1.298  -1.913
   63    HD1  TYR  13           HD1      TYR  13   7.790  -3.633  -1.917
   64    HD2  TYR  13           HD2      TYR  13   7.566  -1.259  -5.511
   65    HE1  TYR  13           HE1      TYR  13   9.359  -5.178  -3.035
   66    HE2  TYR  13           HE2      TYR  13   9.152  -2.807  -6.625
   67    HH   TYR  13           HH       TYR  13  10.490  -5.682  -4.981
   68    H    CYS  14           H        CYS  14   4.805  -1.594  -0.641
   69    HA   CYS  14           HA       CYS  14   5.174  -4.431   0.094
   70   2HB   CYS  14          HB2       CYS  14   6.313  -2.811   1.383
   71    H    CYS  15           H        CYS  15   2.717  -1.989   0.462
   72    HA   CYS  15           HA       CYS  15   0.505  -1.900   0.857
   73   2HB   CYS  15          HB2       CYS  15   0.590  -4.631  -0.490
   74    H    ASP  16           H        ASP  16  -0.141  -1.927   2.998
   75    HA   ASP  16           HA       ASP  16   0.097  -4.188   4.753
   76   2HB   ASP  16          HB2       ASP  16  -1.690  -1.773   4.645
  Start of MODEL   13
    1   1H    VAL   1          H         VAL   1   6.938   4.426   4.864
    2    HA   VAL   1           HA       VAL   1   6.623   2.512   6.900
    3    HB   VAL   1           HB       VAL   1   4.338   3.170   7.642
    4   1HG1  VAL   1          1HG1      VAL   1   6.305   3.657   9.059
    5   2HG1  VAL   1          2HG1      VAL   1   6.456   5.259   8.305
    6   3HG1  VAL   1          3HG1      VAL   1   5.021   4.861   9.270
    7   1HG2  VAL   1          1HG2      VAL   1   3.538   5.473   7.363
    8   2HG2  VAL   1          2HG2      VAL   1   4.931   5.868   6.340
    9   3HG2  VAL   1          3HG2      VAL   1   3.717   4.696   5.784
   10    H    CYS   2           H        CYS   2   4.620   1.152   6.343
   11    HA   CYS   2           HA       CYS   2   4.372   0.942   3.409
   12   2HB   CYS   2          HB2       CYS   2   2.898  -0.709   5.480
   13    H    CYS   3           H        CYS   3   1.922   0.569   2.608
   14    HA   CYS   3           HA       CYS   3   0.526   2.989   3.552
   15   2HB   CYS   3          HB2       CYS   3  -0.261   3.288   1.522
   16    HA   PRO   4           HA       PRO   4  -1.917   0.164   5.960
   17   2HB   PRO   4          HB2       PRO   4  -2.620   1.979   7.196
   18   2HG   PRO   4          HG2       PRO   4  -3.073   4.093   6.142
   19   2HD   PRO   4          HD2       PRO   4  -0.867   3.441   5.496
   20    H    PHE   5           H        PHE   5  -3.715  -1.288   5.749
   21    HA   PHE   5           HA       PHE   5  -4.425  -2.191   3.304
   22   2HB   PHE   5          HB2       PHE   5  -6.278  -2.224   5.733
   23    HD1  PHE   5           HD1      PHE   5  -8.232  -2.645   4.137
   24    HD2  PHE   5           HD2      PHE   5  -4.751  -5.180   4.270
   25    HE1  PHE   5           HE1      PHE   5  -9.496  -4.443   2.984
   26    HE2  PHE   5           HE2      PHE   5  -6.022  -6.987   3.135
   27    HZ   PHE   5           HZ       PHE   5  -8.399  -6.622   2.493
   28    H    GLY   6           H        GLY   6  -6.430   0.100   5.185
   29   1HA   GLY   6          HA2       GLY   6  -8.205   0.710   2.916
   30   2HA   GLY   6          HA3       GLY   6  -8.184   1.471   4.511
   31    H    GLY   7           H        GLY   7  -5.881   1.078   1.780
   32   1HA   GLY   7          HA2       GLY   7  -5.720   3.848   1.070
   33   2HA   GLY   7          HA3       GLY   7  -4.443   3.472   2.242
   34    H    CYS   8           H        CYS   8  -3.946   0.783   1.437
   35    HA   CYS   8           HA       CYS   8  -2.009   1.027  -0.563
   36   2HB   CYS   8          HB2       CYS   8  -3.530  -1.291   0.645
   37    H    HIS   9           H        HIS   9  -1.932   0.701  -2.759
   38    HA   HIS   9           HA       HIS   9  -4.115  -0.465  -4.188
   39   2HB   HIS   9          HB2       HIS   9  -3.344   2.229  -5.329
   40    HD1  HIS   9           HD1      HIS   9  -4.704   1.860  -7.661
   41    HD2  HIS   9           HD2      HIS   9  -6.705   0.604  -4.149
   42    HE1  HIS   9           HE1      HIS   9  -7.025   1.164  -8.350
   43    H    GLU  10           H        GLU  10  -3.094   0.430  -6.726
   44    HA   GLU  10           HA       GLU  10  -1.264  -1.576  -7.187
   45   2HB   GLU  10          HB2       GLU  10  -2.678  -0.524  -8.877
   46   2HG   GLU  10          HG2       GLU  10  -0.836   1.778  -9.349
   47    H    LEU  11           H        LEU  11  -0.447   1.821  -6.445
   48    HA   LEU  11           HA       LEU  11   2.319   1.578  -7.119
   49   2HB   LEU  11          HB2       LEU  11   2.322   3.753  -5.703
   50    HG   LEU  11           HG       LEU  11   0.624   3.328  -8.172
   51   1HD1  LEU  11          1HD1      LEU  11  -0.408   5.194  -6.931
   52   2HD1  LEU  11          2HD1      LEU  11   1.178   5.983  -6.772
   53   3HD1  LEU  11          3HD1      LEU  11   0.430   5.791  -8.374
   54   1HD2  LEU  11          1HD2      LEU  11   2.421   4.640  -9.254
   55   2HD2  LEU  11          2HD2      LEU  11   3.254   4.807  -7.696
   56   3HD2  LEU  11          3HD2      LEU  11   3.090   3.212  -8.456
   57    H    CYS  12           H        CYS  12   0.515   0.401  -4.403
   58    HA   CYS  12           HA       CYS  12   2.547   1.138  -2.428
   59   2HB   CYS  12          HB2       CYS  12   0.147  -0.639  -2.005
   60    H    TYR  13           H        TYR  13   4.342   0.052  -3.246
   61    HA   TYR  13           HA       TYR  13   4.747  -2.422  -4.149
   62   2HB   TYR  13          HB2       TYR  13   6.651  -1.335  -2.040
   63    HD1  TYR  13           HD2      TYR  13   7.667  -3.650  -2.048
   64    HD2  TYR  13           HD1      TYR  13   7.266  -1.322  -5.657
   65    HE1  TYR  13           HE2      TYR  13   9.270  -5.145  -3.190
   66    HE2  TYR  13           HE1      TYR  13   8.884  -2.819  -6.795
   67    HH   TYR  13           HH       TYR  13  10.382  -5.616  -5.155
   68    H    CYS  14           H        CYS  14   4.674  -1.657  -0.695
   69    HA   CYS  14           HA       CYS  14   5.151  -4.470   0.085
   70   2HB   CYS  14          HB2       CYS  14   6.311  -2.798   1.284
   71    H    CYS  15           H        CYS  15   2.658  -2.079   0.507
   72    HA   CYS  15           HA       CYS  15   0.475  -2.026   1.061
   73   2HB   CYS  15          HB2       CYS  15   0.502  -4.786  -0.215
   74    H    ASP  16           H        ASP  16  -0.085  -1.985   3.179
   75    HA   ASP  16           HA       ASP  16   0.281  -4.118   5.051
   76   2HB   ASP  16          HB2       ASP  16  -1.623  -1.803   4.813
  Start of MODEL   14
    1   1H    VAL   1          H         VAL   1   8.052   2.130   5.921
    2    HA   VAL   1           HA       VAL   1   6.051   1.993   7.819
    3    HB   VAL   1           HB       VAL   1   4.551   3.829   7.123
    4   1HG1  VAL   1          1HG1      VAL   1   6.014   4.116   9.098
    5   2HG1  VAL   1          2HG1      VAL   1   7.241   4.891   8.074
    6   3HG1  VAL   1          3HG1      VAL   1   5.653   5.651   8.291
    7   1HG2  VAL   1          1HG2      VAL   1   5.380   5.736   5.815
    8   2HG2  VAL   1          2HG2      VAL   1   6.922   4.908   5.531
    9   3HG2  VAL   1          3HG2      VAL   1   5.417   4.261   4.841
   10    H    CYS   2           H        CYS   2   3.777   2.021   6.334
   11    HA   CYS   2           HA       CYS   2   4.227   1.028   3.645
   12   2HB   CYS   2          HB2       CYS   2   2.688  -0.705   5.615
   13    H    CYS   3           H        CYS   3   1.804   0.598   2.724
   14    HA   CYS   3           HA       CYS   3   0.330   2.979   3.652
   15   2HB   CYS   3          HB2       CYS   3  -0.367   3.330   1.596
   16    HA   PRO   4           HA       PRO   4  -2.141   0.022   5.847
   17   2HB   PRO   4          HB2       PRO   4  -2.930   1.757   7.120
   18   2HG   PRO   4          HG2       PRO   4  -3.388   3.906   6.148
   19   2HD   PRO   4          HD2       PRO   4  -1.140   3.316   5.576
   20    H    PHE   5           H        PHE   5  -3.777  -1.530   5.441
   21    HA   PHE   5           HA       PHE   5  -4.605  -2.304   2.988
   22   2HB   PHE   5          HB2       PHE   5  -6.336  -2.342   5.512
   23    HD1  PHE   5           HD2      PHE   5  -5.101  -5.216   3.596
   24    HD2  PHE   5           HD1      PHE   5  -8.461  -2.600   4.231
   25    HE1  PHE   5           HE2      PHE   5  -6.586  -6.845   2.442
   26    HE2  PHE   5           HE1      PHE   5  -9.943  -4.215   3.065
   27    HZ   PHE   5           HZ       PHE   5  -9.011  -6.346   2.179
   28    H    GLY   6           H        GLY   6  -6.547  -0.047   4.988
   29   1HA   GLY   6          HA2       GLY   6  -8.316   0.661   2.745
   30   2HA   GLY   6          HA3       GLY   6  -8.278   1.373   4.364
   31    H    GLY   7           H        GLY   7  -6.013   1.055   1.578
   32   1HA   GLY   7          HA2       GLY   7  -5.842   3.829   0.948
   33   2HA   GLY   7          HA3       GLY   7  -4.587   3.460   2.146
   34    H    CYS   8           H        CYS   8  -4.059   0.769   1.274
   35    HA   CYS   8           HA       CYS   8  -2.020   1.116  -0.595
   36   2HB   CYS   8          HB2       CYS   8  -3.591  -1.274   0.382
   37    H    HIS   9           H        HIS   9  -1.758   0.780  -2.798
   38    HA   HIS   9           HA       HIS   9  -3.983  -0.024  -4.474
   39   2HB   HIS   9          HB2       HIS   9  -2.631   2.272  -5.701
   40    HD1  HIS   9           HD1      HIS   9  -4.338   2.173  -7.644
   41    HD2  HIS   9           HD2      HIS   9  -6.068   2.186  -3.806
   42    HE1  HIS   9           HE1      HIS   9  -6.877   2.396  -7.978
   43    H    GLU  10           H        GLU  10  -2.540   0.480  -6.858
   44    HA   GLU  10           HA       GLU  10  -0.845  -1.842  -6.883
   45   2HB   GLU  10          HB2       GLU  10  -0.554  -1.404  -9.156
   46   2HG   GLU  10          HG2       GLU  10  -3.098  -1.280  -8.359
   47    H    LEU  11           H        LEU  11  -0.394   1.579  -6.655
   48    HA   LEU  11           HA       LEU  11   2.412   1.830  -7.018
   49   2HB   LEU  11          HB2       LEU  11   1.906   3.887  -5.476
   50    HG   LEU  11           HG       LEU  11   2.179   4.075  -7.921
   51   1HD1  LEU  11          1HD1      LEU  11  -0.823   3.511  -7.997
   52   2HD1  LEU  11          2HD1      LEU  11   0.115   4.186  -9.344
   53   3HD1  LEU  11          3HD1      LEU  11   0.465   2.556  -8.771
   54   1HD2  LEU  11          1HD2      LEU  11   1.604   6.038  -6.538
   55   2HD2  LEU  11          2HD2      LEU  11   0.889   6.159  -8.155
   56   3HD2  LEU  11          3HD2      LEU  11  -0.126   5.703  -6.770
   57    H    CYS  12           H        CYS  12   0.584   0.556  -4.268
   58    HA   CYS  12           HA       CYS  12   2.660   1.353  -2.351
   59   2HB   CYS  12          HB2       CYS  12   0.303  -0.462  -1.844
   60    H    TYR  13           H        TYR  13   4.508   0.271  -2.957
   61    HA   TYR  13           HA       TYR  13   4.891  -2.197  -3.960
   62   2HB   TYR  13          HB2       TYR  13   6.745  -1.201  -1.765
   63    HD1  TYR  13           HD1      TYR  13   7.747  -3.511  -1.793
   64    HD2  TYR  13           HD2      TYR  13   7.423  -1.134  -5.378
   65    HE1  TYR  13           HE1      TYR  13   9.347  -5.018  -2.945
   66    HE2  TYR  13           HE2      TYR  13   9.022  -2.635  -6.519
   67    HH   TYR  13           HH       TYR  13  10.340  -4.516  -6.340
   68    H    CYS  14           H        CYS  14   4.743  -1.517  -0.476
   69    HA   CYS  14           HA       CYS  14   5.142  -4.353   0.234
   70   2HB   CYS  14          HB2       CYS  14   6.278  -2.716   1.511
   71    H    CYS  15           H        CYS  15   2.666  -1.949   0.604
   72    HA   CYS  15           HA       CYS  15   0.434  -1.896   0.976
   73   2HB   CYS  15          HB2       CYS  15   0.594  -4.614  -0.387
   74    H    ASP  16           H        ASP  16   0.057  -1.908   3.208
   75    HA   ASP  16           HA       ASP  16  -0.395  -4.465   4.601
   76   2HB   ASP  16          HB2       ASP  16  -0.690  -1.519   5.268
  Start of MODEL   15
    1   1H    VAL   1          H         VAL   1   6.892   4.393   5.160
    2    HA   VAL   1           HA       VAL   1   6.713   2.301   7.027
    3    HB   VAL   1           HB       VAL   1   4.421   2.790   7.878
    4   1HG1  VAL   1          1HG1      VAL   1   5.086   4.346   9.643
    5   2HG1  VAL   1          2HG1      VAL   1   6.405   3.216   9.289
    6   3HG1  VAL   1          3HG1      VAL   1   6.480   4.885   8.687
    7   1HG2  VAL   1          1HG2      VAL   1   4.880   5.625   6.837
    8   2HG2  VAL   1          2HG2      VAL   1   3.703   4.465   6.185
    9   3HG2  VAL   1          3HG2      VAL   1   3.525   5.071   7.838
   10    H    CYS   2           H        CYS   2   4.716   0.927   6.413
   11    HA   CYS   2           HA       CYS   2   4.478   0.868   3.484
   12   2HB   CYS   2          HB2       CYS   2   2.923  -0.818   5.465
   13    H    CYS   3           H        CYS   3   2.037   0.576   2.615
   14    HA   CYS   3           HA       CYS   3   0.673   2.994   3.609
   15   2HB   CYS   3          HB2       CYS   3  -0.071   3.378   1.575
   16    HA   PRO   4           HA       PRO   4  -1.883   0.136   5.860
   17   2HB   PRO   4          HB2       PRO   4  -2.628   1.912   7.112
   18   2HG   PRO   4          HG2       PRO   4  -3.012   4.062   6.110
   19   2HD   PRO   4          HD2       PRO   4  -0.785   3.402   5.537
   20    H    PHE   5           H        PHE   5  -3.622  -1.363   5.475
   21    HA   PHE   5           HA       PHE   5  -4.331  -2.081   2.950
   22   2HB   PHE   5          HB2       PHE   5  -5.996  -2.295   5.505
   23    HD1  PHE   5           HD1      PHE   5  -4.871  -4.887   3.138
   24    HD2  PHE   5           HD2      PHE   5  -8.209  -2.539   4.477
   25    HE1  PHE   5           HE1      PHE   5  -6.425  -6.415   1.922
   26    HE2  PHE   5           HE2      PHE   5  -9.769  -4.046   3.255
   27    HZ   PHE   5           HZ       PHE   5  -8.878  -5.992   1.987
   28    H    GLY   6           H        GLY   6  -6.255   0.086   5.040
   29   1HA   GLY   6          HA2       GLY   6  -8.090   0.877   2.879
   30   2HA   GLY   6          HA3       GLY   6  -7.974   1.557   4.508
   31    H    GLY   7           H        GLY   7  -5.862   1.241   1.613
   32   1HA   GLY   7          HA2       GLY   7  -5.617   3.991   0.985
   33   2HA   GLY   7          HA3       GLY   7  -4.342   3.605   2.156
   34    H    CYS   8           H        CYS   8  -3.923   0.886   1.304
   35    HA   CYS   8           HA       CYS   8  -1.916   1.148  -0.612
   36   2HB   CYS   8          HB2       CYS   8  -3.523  -1.177   0.458
   37    H    HIS   9           H        HIS   9  -1.723   0.752  -2.816
   38    HA   HIS   9           HA       HIS   9  -4.010  -0.013  -4.426
   39   2HB   HIS   9          HB2       HIS   9  -2.654   2.229  -5.730
   40    HD1  HIS   9           HD1      HIS   9  -4.446   2.104  -7.595
   41    HD2  HIS   9           HD2      HIS   9  -5.997   2.332  -3.688
   42    HE1  HIS   9           HE1      HIS   9  -6.987   2.418  -7.825
   43    H    GLU  10           H        GLU  10  -2.629   0.418  -6.852
   44    HA   GLU  10           HA       GLU  10  -0.934  -1.906  -6.890
   45   2HB   GLU  10          HB2       GLU  10  -0.698  -1.489  -9.178
   46   2HG   GLU  10          HG2       GLU  10  -3.221  -1.382  -8.310
   47    H    LEU  11           H        LEU  11  -0.489   1.519  -6.721
   48    HA   LEU  11           HA       LEU  11   2.300   1.798  -7.138
   49   2HB   LEU  11          HB2       LEU  11   1.816   3.848  -5.591
   50    HG   LEU  11           HG       LEU  11   1.984   4.041  -8.045
   51   1HD1  LEU  11          1HD1      LEU  11  -1.011   3.438  -7.996
   52   2HD1  LEU  11          2HD1      LEU  11  -0.141   4.133  -9.379
   53   3HD1  LEU  11          3HD1      LEU  11   0.256   2.505  -8.831
   54   1HD2  LEU  11          1HD2      LEU  11  -0.293   5.635  -6.794
   55   2HD2  LEU  11          2HD2      LEU  11   1.440   5.993  -6.634
   56   3HD2  LEU  11          3HD2      LEU  11   0.658   6.109  -8.218
   57    H    CYS  12           H        CYS  12   0.536   0.533  -4.339
   58    HA   CYS  12           HA       CYS  12   2.668   1.307  -2.473
   59   2HB   CYS  12          HB2       CYS  12   0.292  -0.471  -1.924
   60    H    TYR  13           H        TYR  13   4.475   0.208  -3.173
   61    HA   TYR  13           HA       TYR  13   4.843  -2.248  -4.186
   62   2HB   TYR  13          HB2       TYR  13   6.683  -1.188  -1.996
   63    HD1  TYR  13           HD1      TYR  13   7.398  -1.458  -5.604
   64    HD2  TYR  13           HD2      TYR  13   7.714  -3.455  -1.794
   65    HE1  TYR  13           HE1      TYR  13   9.006  -3.077  -6.579
   66    HE2  TYR  13           HE2      TYR  13   9.306  -5.072  -2.772
   67    HH   TYR  13           HH       TYR  13  10.430  -5.740  -4.671
   68    H    CYS  14           H        CYS  14   4.799  -1.598  -0.703
   69    HA   CYS  14           HA       CYS  14   5.177  -4.444  -0.023
   70   2HB   CYS  14          HB2       CYS  14   6.362  -2.843   1.247
   71    H    CYS  15           H        CYS  15   2.737  -2.017   0.450
   72    HA   CYS  15           HA       CYS  15   0.543  -1.929   0.957
   73   2HB   CYS  15          HB2       CYS  15   0.556  -4.651  -0.411
   74    H    ASP  16           H        ASP  16   0.004  -1.950   3.097
   75    HA   ASP  16           HA       ASP  16   0.307  -4.187   4.867
   76   2HB   ASP  16          HB2       ASP  16  -1.445  -1.751   4.777
  Start of MODEL   16
    1   1H    VAL   1          H         VAL   1   7.138   4.170   4.945
    2    HA   VAL   1           HA       VAL   1   6.622   2.326   7.003
    3    HB   VAL   1           HB       VAL   1   4.367   3.143   7.657
    4   1HG1  VAL   1          1HG1      VAL   1   5.098   4.832   9.264
    5   2HG1  VAL   1          2HG1      VAL   1   6.317   3.553   9.122
    6   3HG1  VAL   1          3HG1      VAL   1   6.582   5.124   8.337
    7   1HG2  VAL   1          1HG2      VAL   1   3.719   5.486   7.297
    8   2HG2  VAL   1          2HG2      VAL   1   5.158   5.762   6.299
    9   3HG2  VAL   1          3HG2      VAL   1   3.887   4.650   5.748
   10    H    CYS   2           H        CYS   2   4.548   1.095   6.397
   11    HA   CYS   2           HA       CYS   2   4.378   0.889   3.448
   12   2HB   CYS   2          HB2       CYS   2   2.875  -0.789   5.476
   13    H    CYS   3           H        CYS   3   1.921   0.529   2.623
   14    HA   CYS   3           HA       CYS   3   0.550   2.959   3.580
   15   2HB   CYS   3          HB2       CYS   3  -0.181   3.317   1.540
   16    HA   PRO   4           HA       PRO   4  -2.001   0.140   5.871
   17   2HB   PRO   4          HB2       PRO   4  -2.731   1.946   7.104
   18   2HG   PRO   4          HG2       PRO   4  -3.118   4.079   6.064
   19   2HD   PRO   4          HD2       PRO   4  -0.898   3.403   5.485
   20    H    PHE   5           H        PHE   5  -3.779  -1.319   5.572
   21    HA   PHE   5           HA       PHE   5  -4.522  -2.140   3.105
   22   2HB   PHE   5          HB2       PHE   5  -6.174  -2.185   5.674
   23    HD1  PHE   5           HD2      PHE   5  -5.142  -4.770   3.222
   24    HD2  PHE   5           HD1      PHE   5  -8.424  -2.529   4.854
   25    HE1  PHE   5           HE2      PHE   5  -6.751  -6.283   2.054
   26    HE2  PHE   5           HE1      PHE   5 -10.036  -4.024   3.689
   27    HZ   PHE   5           HZ       PHE   5  -9.200  -5.909   2.297
   28    H    GLY   6           H        GLY   6  -6.397   0.176   5.078
   29   1HA   GLY   6          HA2       GLY   6  -8.232   0.884   2.889
   30   2HA   GLY   6          HA3       GLY   6  -8.098   1.645   4.481
   31    H    GLY   7           H        GLY   7  -5.978   1.139   1.623
   32   1HA   GLY   7          HA2       GLY   7  -5.688   3.865   0.863
   33   2HA   GLY   7          HA3       GLY   7  -4.406   3.476   2.027
   34    H    CYS   8           H        CYS   8  -3.987   0.757   1.322
   35    HA   CYS   8           HA       CYS   8  -2.024   0.931  -0.637
   36   2HB   CYS   8          HB2       CYS   8  -3.582  -1.388   0.520
   37    H    HIS   9           H        HIS   9  -1.990   0.967  -2.810
   38    HA   HIS   9           HA       HIS   9  -4.195  -0.128  -4.426
   39   2HB   HIS   9          HB2       HIS   9  -3.865   1.823  -5.966
   40    HD1  HIS   9           HD1      HIS   9  -5.728   1.135  -2.986
   41    HD2  HIS   9           HD2      HIS   9  -4.811   4.588  -5.213
   42    HE1  HIS   9           HE1      HIS   9  -7.523   2.861  -2.437
   43    H    GLU  10           H        GLU  10  -3.007   0.113  -6.836
   44    HA   GLU  10           HA       GLU  10  -1.101  -1.853  -6.976
   45   2HB   GLU  10          HB2       GLU  10  -1.450   0.543  -8.848
   46   2HG   GLU  10          HG2       GLU  10  -0.522  -2.289  -9.482
   47    H    LEU  11           H        LEU  11  -0.452   1.644  -6.590
   48    HA   LEU  11           HA       LEU  11   2.339   1.526  -7.130
   49   2HB   LEU  11          HB2       LEU  11   2.167   3.717  -5.733
   50    HG   LEU  11           HG       LEU  11   2.278   3.741  -8.185
   51   1HD1  LEU  11          1HD1      LEU  11  -0.758   3.454  -8.056
   52   2HD1  LEU  11          2HD1      LEU  11   0.146   3.977  -9.490
   53   3HD1  LEU  11          3HD1      LEU  11   0.393   2.353  -8.855
   54   1HD2  LEU  11          1HD2      LEU  11   0.208   5.648  -7.015
   55   2HD2  LEU  11          2HD2      LEU  11   1.973   5.829  -6.900
   56   3HD2  LEU  11          3HD2      LEU  11   1.175   5.923  -8.479
   57    H    CYS  12           H        CYS  12   0.542   0.433  -4.358
   58    HA   CYS  12           HA       CYS  12   2.600   1.209  -2.423
   59   2HB   CYS  12          HB2       CYS  12   0.218  -0.590  -1.957
   60    H    TYR  13           H        TYR  13   4.403   0.128  -3.212
   61    HA   TYR  13           HA       TYR  13   4.808  -2.327  -4.161
   62   2HB   TYR  13          HB2       TYR  13   6.715  -1.300  -2.028
   63    HD1  TYR  13           HD1      TYR  13   7.769  -3.590  -2.131
   64    HD2  TYR  13           HD2      TYR  13   7.280  -1.151  -5.654
   65    HE1  TYR  13           HE1      TYR  13   9.397  -5.011  -3.349
   66    HE2  TYR  13           HE2      TYR  13   8.906  -2.566  -6.862
   67    HH   TYR  13           HH       TYR  13  10.299  -4.397  -6.752
   68    H    CYS  14           H        CYS  14   4.707  -1.632  -0.694
   69    HA   CYS  14           HA       CYS  14   5.190  -4.459   0.038
   70   2HB   CYS  14          HB2       CYS  14   6.342  -2.806   1.273
   71    H    CYS  15           H        CYS  15   2.694  -2.080   0.479
   72    HA   CYS  15           HA       CYS  15   0.501  -2.033   0.981
   73   2HB   CYS  15          HB2       CYS  15   0.574  -4.798  -0.291
   74    H    ASP  16           H        ASP  16  -0.126  -1.999   3.089
   75    HA   ASP  16           HA       ASP  16   0.178  -4.168   4.945
   76   2HB   ASP  16          HB2       ASP  16  -1.675  -1.813   4.712
  Start of MODEL   17
    1   1H    VAL   1          H         VAL   1   7.152   4.165   4.897
    2    HA   VAL   1           HA       VAL   1   6.696   2.263   6.913
    3    HB   VAL   1           HB       VAL   1   4.455   3.055   7.651
    4   1HG1  VAL   1          1HG1      VAL   1   5.230   4.693   9.291
    5   2HG1  VAL   1          2HG1      VAL   1   6.443   3.419   9.078
    6   3HG1  VAL   1          3HG1      VAL   1   6.689   5.013   8.335
    7   1HG2  VAL   1          1HG2      VAL   1   3.929   4.621   5.802
    8   2HG2  VAL   1          2HG2      VAL   1   3.798   5.406   7.381
    9   3HG2  VAL   1          3HG2      VAL   1   5.212   5.717   6.360
   10    H    CYS   2           H        CYS   2   4.599   1.050   6.332
   11    HA   CYS   2           HA       CYS   2   4.382   0.892   3.388
   12   2HB   CYS   2          HB2       CYS   2   2.869  -0.781   5.413
   13    H    CYS   3           H        CYS   3   1.918   0.575   2.577
   14    HA   CYS   3           HA       CYS   3   0.565   3.000   3.576
   15   2HB   CYS   3          HB2       CYS   3  -0.161   3.399   1.543
   16    HA   PRO   4           HA       PRO   4  -1.962   0.181   5.851
   17   2HB   PRO   4          HB2       PRO   4  -2.696   1.981   7.079
   18   2HG   PRO   4          HG2       PRO   4  -3.126   4.104   6.036
   19   2HD   PRO   4          HD2       PRO   4  -0.901   3.445   5.450
   20    H    PHE   5           H        PHE   5  -3.689  -1.326   5.563
   21    HA   PHE   5           HA       PHE   5  -4.448  -2.152   3.092
   22   2HB   PHE   5          HB2       PHE   5  -5.977  -2.293   5.733
   23    HD1  PHE   5           HD1      PHE   5  -5.054  -4.809   3.170
   24    HD2  PHE   5           HD2      PHE   5  -8.260  -2.660   5.053
   25    HE1  PHE   5           HE1      PHE   5  -6.707  -6.342   2.092
   26    HE2  PHE   5           HE2      PHE   5  -9.919  -4.173   3.977
   27    HZ   PHE   5           HZ       PHE   5  -9.142  -6.023   2.505
   28    H    GLY   6           H        GLY   6  -6.365   0.050   5.154
   29   1HA   GLY   6          HA2       GLY   6  -8.283   0.702   3.019
   30   2HA   GLY   6          HA3       GLY   6  -8.146   1.447   4.619
   31    H    GLY   7           H        GLY   7  -6.083   1.086   1.693
   32   1HA   GLY   7          HA2       GLY   7  -5.941   3.841   0.995
   33   2HA   GLY   7          HA3       GLY   7  -4.603   3.482   2.104
   34    H    CYS   8           H        CYS   8  -4.075   0.822   1.330
   35    HA   CYS   8           HA       CYS   8  -2.178   1.085  -0.660
   36   2HB   CYS   8          HB2       CYS   8  -3.679  -1.287   0.460
   37    H    HIS   9           H        HIS   9  -2.056   0.853  -2.846
   38    HA   HIS   9           HA       HIS   9  -4.256  -0.160  -4.461
   39   2HB   HIS   9          HB2       HIS   9  -3.754   1.827  -6.056
   40    HD1  HIS   9           HD1      HIS   9  -4.986   2.850  -2.504
   41    HD2  HIS   9           HD2      HIS   9  -6.271   2.202  -6.463
   42    HE1  HIS   9           HE1      HIS   9  -7.447   3.501  -2.591
   43    H    GLU  10           H        GLU  10  -3.057   0.006  -6.854
   44    HA   GLU  10           HA       GLU  10  -1.086  -1.891  -6.907
   45   2HB   GLU  10          HB2       GLU  10  -1.477   0.410  -8.887
   46   2HG   GLU  10          HG2       GLU  10  -0.515  -2.444  -9.363
   47    H    LEU  11           H        LEU  11  -0.548   1.636  -6.622
   48    HA   LEU  11           HA       LEU  11   2.225   1.627  -7.164
   49   2HB   LEU  11          HB2       LEU  11   1.996   3.828  -5.791
   50    HG   LEU  11           HG       LEU  11   0.410   3.197  -8.293
   51   1HD1  LEU  11          1HD1      LEU  11  -0.802   5.001  -7.117
   52   2HD1  LEU  11          2HD1      LEU  11   0.709   5.917  -6.937
   53   3HD1  LEU  11          3HD1      LEU  11   0.021   5.638  -8.551
   54   1HD2  LEU  11          1HD2      LEU  11   2.895   4.901  -7.780
   55   2HD2  LEU  11          2HD2      LEU  11   2.885   3.286  -8.516
   56   3HD2  LEU  11          3HD2      LEU  11   2.121   4.642  -9.355
   57    H    CYS  12           H        CYS  12   0.475   0.523  -4.356
   58    HA   CYS  12           HA       CYS  12   2.573   1.278  -2.458
   59   2HB   CYS  12          HB2       CYS  12   0.189  -0.508  -1.951
   60    H    TYR  13           H        TYR  13   4.354   0.185  -3.273
   61    HA   TYR  13           HA       TYR  13   4.760  -2.258  -4.242
   62   2HB   TYR  13          HB2       TYR  13   6.613  -1.205  -2.064
   63    HD1  TYR  13           HD1      TYR  13   7.695  -3.460  -1.984
   64    HD2  TYR  13           HD2      TYR  13   7.276  -1.288  -5.687
   65    HE1  TYR  13           HE1      TYR  13   9.349  -4.956  -3.049
   66    HE2  TYR  13           HE2      TYR  13   8.943  -2.788  -6.749
   67    HH   TYR  13           HH       TYR  13  10.499  -5.473  -4.979
   68    H    CYS  14           H        CYS  14   4.658  -1.602  -0.772
   69    HA   CYS  14           HA       CYS  14   5.093  -4.444  -0.067
   70   2HB   CYS  14          HB2       CYS  14   6.275  -2.825   1.182
   71    H    CYS  15           H        CYS  15   2.637  -2.029   0.404
   72    HA   CYS  15           HA       CYS  15   0.447  -1.953   0.932
   73   2HB   CYS  15          HB2       CYS  15   0.463  -4.691  -0.396
   74    H    ASP  16           H        ASP  16  -0.104  -1.947   3.064
   75    HA   ASP  16           HA       ASP  16   0.242  -4.145   4.872
   76   2HB   ASP  16          HB2       ASP  16  -1.566  -1.749   4.748
  Start of MODEL   18
    1   1H    VAL   1          H         VAL   1   6.780   4.418   4.966
    2    HA   VAL   1           HA       VAL   1   6.460   2.465   6.969
    3    HB   VAL   1           HB       VAL   1   4.357   4.676   6.935
    4   1HG1  VAL   1          1HG1      VAL   1   4.639   2.175   8.653
    5   2HG1  VAL   1          2HG1      VAL   1   3.507   3.499   8.988
    6   3HG1  VAL   1          3HG1      VAL   1   3.322   2.560   7.515
    7   1HG2  VAL   1          1HG2      VAL   1   5.112   5.178   9.268
    8   2HG2  VAL   1          2HG2      VAL   1   6.461   4.043   9.057
    9   3HG2  VAL   1          3HG2      VAL   1   6.371   5.527   8.083
   10    H    CYS   2           H        CYS   2   4.451   1.169   6.365
   11    HA   CYS   2           HA       CYS   2   4.265   1.021   3.442
   12   2HB   CYS   2          HB2       CYS   2   2.649  -0.610   5.420
   13    H    CYS   3           H        CYS   3   1.865   0.690   2.507
   14    HA   CYS   3           HA       CYS   3   0.480   3.156   3.338
   15   2HB   CYS   3          HB2       CYS   3  -0.327   3.379   1.293
   16    HA   PRO   4           HA       PRO   4  -2.010   0.439   5.763
   17   2HB   PRO   4          HB2       PRO   4  -2.679   2.282   6.967
   18   2HG   PRO   4          HG2       PRO   4  -3.106   4.383   5.879
   19   2HD   PRO   4          HD2       PRO   4  -0.917   3.664   5.237
   20    H    PHE   5           H        PHE   5  -3.831  -0.949   5.683
   21    HA   PHE   5           HA       PHE   5  -4.558  -2.010   3.320
   22   2HB   PHE   5          HB2       PHE   5  -6.634  -1.972   5.534
   23    HD1  PHE   5           HD2      PHE   5  -7.917  -2.898   3.375
   24    HD2  PHE   5           HD1      PHE   5  -4.615  -4.897   5.313
   25    HE1  PHE   5           HE2      PHE   5  -8.634  -5.051   2.386
   26    HE2  PHE   5           HE1      PHE   5  -5.337  -7.043   4.315
   27    HZ   PHE   5           HZ       PHE   5  -7.351  -7.130   2.857
   28    H    GLY   6           H        GLY   6  -6.592   0.380   5.039
   29   1HA   GLY   6          HA2       GLY   6  -8.351   0.828   2.716
   30   2HA   GLY   6          HA3       GLY   6  -8.371   1.672   4.271
   31    H    GLY   7           H        GLY   7  -5.987   1.171   1.624
   32   1HA   GLY   7          HA2       GLY   7  -5.823   3.955   0.860
   33   2HA   GLY   7          HA3       GLY   7  -4.542   3.537   2.013
   34    H    CYS   8           H        CYS   8  -4.010   0.885   1.231
   35    HA   CYS   8           HA       CYS   8  -2.100   1.148  -0.750
   36   2HB   CYS   8          HB2       CYS   8  -3.630  -1.246   0.293
   37    H    HIS   9           H        HIS   9  -1.952   0.914  -2.926
   38    HA   HIS   9           HA       HIS   9  -4.158  -0.057  -4.565
   39   2HB   HIS   9          HB2       HIS   9  -3.564   1.860  -6.188
   40    HD1  HIS   9           HD1      HIS   9  -4.761   2.973  -2.643
   41    HD2  HIS   9           HD2      HIS   9  -6.031   2.449  -6.626
   42    HE1  HIS   9           HE1      HIS   9  -7.169   3.790  -2.758
   43    H    GLU  10           H        GLU  10  -2.930  -0.053  -6.923
   44    HA   GLU  10           HA       GLU  10  -1.024  -2.016  -6.854
   45   2HB   GLU  10          HB2       GLU  10  -0.618  -1.506  -9.190
   46   2HG   GLU  10          HG2       GLU  10  -3.479  -0.572  -8.664
   47    H    LEU  11           H        LEU  11  -0.437   1.475  -6.731
   48    HA   LEU  11           HA       LEU  11   2.326   1.483  -7.298
   49   2HB   LEU  11          HB2       LEU  11   2.099   3.709  -5.981
   50    HG   LEU  11           HG       LEU  11   0.447   2.990  -8.413
   51   1HD1  LEU  11          1HD1      LEU  11  -0.776   4.788  -7.243
   52   2HD1  LEU  11          2HD1      LEU  11   0.715   5.748  -7.129
   53   3HD1  LEU  11          3HD1      LEU  11  -0.013   5.412  -8.715
   54   1HD2  LEU  11          1HD2      LEU  11   2.900   4.769  -8.019
   55   2HD2  LEU  11          2HD2      LEU  11   2.912   3.134  -8.708
   56   3HD2  LEU  11          3HD2      LEU  11   2.089   4.444  -9.562
   57    H    CYS  12           H        CYS  12   0.627   0.446  -4.415
   58    HA   CYS  12           HA       CYS  12   2.751   1.284  -2.594
   59   2HB   CYS  12          HB2       CYS  12   0.421  -0.527  -1.951
   60    H    TYR  13           H        TYR  13   4.592   0.188  -3.153
   61    HA   TYR  13           HA       TYR  13   5.001  -2.286  -4.103
   62   2HB   TYR  13          HB2       TYR  13   6.850  -1.295  -1.910
   63    HD1  TYR  13           HD2      TYR  13   7.881  -3.591  -2.034
   64    HD2  TYR  13           HD1      TYR  13   7.493  -1.088  -5.524
   65    HE1  TYR  13           HE2      TYR  13   9.501  -5.018  -3.237
   66    HE2  TYR  13           HE1      TYR  13   9.123  -2.520  -6.726
   67    HH   TYR  13           HH       TYR  13  10.631  -5.383  -5.214
   68    H    CYS  14           H        CYS  14   4.762  -1.562  -0.640
   69    HA   CYS  14           HA       CYS  14   5.134  -4.395   0.126
   70   2HB   CYS  14          HB2       CYS  14   6.267  -2.768   1.412
   71    H    CYS  15           H        CYS  15   2.685  -1.941   0.440
   72    HA   CYS  15           HA       CYS  15   0.469  -1.834   0.805
   73   2HB   CYS  15          HB2       CYS  15   0.560  -4.593  -0.488
   74    H    ASP  16           H        ASP  16  -0.224  -1.805   2.923
   75    HA   ASP  16           HA       ASP  16  -0.163  -4.127   4.663
   76   2HB   ASP  16          HB2       ASP  16  -1.712  -1.547   4.620
  Start of MODEL   19
    1   1H    VAL   1          H         VAL   1   6.505   4.191   5.214
    2    HA   VAL   1           HA       VAL   1   6.296   2.053   7.015
    3    HB   VAL   1           HB       VAL   1   4.024   2.552   7.912
    4   1HG1  VAL   1          1HG1      VAL   1   4.735   4.038   9.717
    5   2HG1  VAL   1          2HG1      VAL   1   6.034   2.902   9.308
    6   3HG1  VAL   1          3HG1      VAL   1   6.125   4.590   8.761
    7   1HG2  VAL   1          1HG2      VAL   1   4.513   5.409   6.952
    8   2HG2  VAL   1          2HG2      VAL   1   3.310   4.287   6.282
    9   3HG2  VAL   1          3HG2      VAL   1   3.163   4.845   7.953
   10    H    CYS   2           H        CYS   2   4.221   0.766   6.390
   11    HA   CYS   2           HA       CYS   2   4.048   0.746   3.462
   12   2HB   CYS   2          HB2       CYS   2   2.383  -0.912   5.377
   13    H    CYS   3           H        CYS   3   1.628   0.519   2.514
   14    HA   CYS   3           HA       CYS   3   0.314   2.985   3.466
   15   2HB   CYS   3          HB2       CYS   3  -0.346   3.398   1.409
   16    HA   PRO   4           HA       PRO   4  -2.295   0.190   5.679
   17   2HB   PRO   4          HB2       PRO   4  -2.968   1.948   6.961
   18   2HG   PRO   4          HG2       PRO   4  -3.313   4.125   6.001
   19   2HD   PRO   4          HD2       PRO   4  -1.116   3.389   5.393
   20    H    PHE   5           H        PHE   5  -4.204  -1.208   5.368
   21    HA   PHE   5           HA       PHE   5  -5.074  -1.917   2.868
   22   2HB   PHE   5          HB2       PHE   5  -7.342  -2.493   3.964
   23    HD1  PHE   5           HD1      PHE   5  -6.131  -4.430   2.808
   24    HD2  PHE   5           HD2      PHE   5  -5.313  -3.218   6.867
   25    HE1  PHE   5           HE1      PHE   5  -5.200  -6.672   3.298
   26    HE2  PHE   5           HE2      PHE   5  -4.287  -5.407   7.311
   27    HZ   PHE   5           HZ       PHE   5  -4.270  -7.169   5.554
   28    H    GLY   6           H        GLY   6  -6.715   0.588   4.830
   29   1HA   GLY   6          HA2       GLY   6  -8.393   1.489   2.585
   30   2HA   GLY   6          HA3       GLY   6  -8.257   2.210   4.195
   31    H    GLY   7           H        GLY   7  -6.052   1.560   1.422
   32   1HA   GLY   7          HA2       GLY   7  -5.486   4.300   0.805
   33   2HA   GLY   7          HA3       GLY   7  -4.284   3.703   1.967
   34    H    CYS   8           H        CYS   8  -4.084   1.022   1.112
   35    HA   CYS   8           HA       CYS   8  -2.101   1.144  -0.836
   36   2HB   CYS   8          HB2       CYS   8  -3.828  -1.111   0.204
   37    H    HIS   9           H        HIS   9  -1.971   0.946  -3.013
   38    HA   HIS   9           HA       HIS   9  -4.225   0.155  -4.675
   39   2HB   HIS   9          HB2       HIS   9  -3.550   2.087  -6.238
   40    HD1  HIS   9           HD1      HIS   9  -4.524   3.326  -2.679
   41    HD2  HIS   9           HD2      HIS   9  -6.053   2.680  -6.551
   42    HE1  HIS   9           HE1      HIS   9  -6.900   4.244  -2.692
   43    H    GLU  10           H        GLU  10  -2.967   0.208  -7.043
   44    HA   GLU  10           HA       GLU  10  -1.106  -1.815  -7.057
   45   2HB   GLU  10          HB2       GLU  10  -1.342   0.505  -9.040
   46   2HG   GLU  10          HG2       GLU  10  -0.513  -2.390  -9.511
   47    H    LEU  11           H        LEU  11  -0.411   1.681  -6.773
   48    HA   LEU  11           HA       LEU  11   2.367   1.554  -7.236
   49   2HB   LEU  11          HB2       LEU  11   2.202   3.779  -5.923
   50    HG   LEU  11           HG       LEU  11   0.591   3.145  -8.407
   51   1HD1  LEU  11          1HD1      LEU  11   0.240   5.585  -8.712
   52   2HD1  LEU  11          2HD1      LEU  11  -0.593   4.989  -7.265
   53   3HD1  LEU  11          3HD1      LEU  11   0.933   5.886  -7.103
   54   1HD2  LEU  11          1HD2      LEU  11   2.324   4.531  -9.500
   55   2HD2  LEU  11          2HD2      LEU  11   3.102   4.818  -7.931
   56   3HD2  LEU  11          3HD2      LEU  11   3.065   3.185  -8.626
   57    H    CYS  12           H        CYS  12   0.511   0.519  -4.470
   58    HA   CYS  12           HA       CYS  12   2.572   1.236  -2.514
   59   2HB   CYS  12          HB2       CYS  12   0.118  -0.470  -2.068
   60    H    TYR  13           H        TYR  13   4.355   0.079  -3.206
   61    HA   TYR  13           HA       TYR  13   4.679  -2.378  -4.184
   62   2HB   TYR  13          HB2       TYR  13   6.570  -1.507  -1.974
   63    HD1  TYR  13           HD1      TYR  13   7.428  -3.895  -2.199
   64    HD2  TYR  13           HD2      TYR  13   7.318  -1.165  -5.535
   65    HE1  TYR  13           HE1      TYR  13   8.994  -5.349  -3.439
   66    HE2  TYR  13           HE2      TYR  13   8.902  -2.619  -6.771
   67    HH   TYR  13           HH       TYR  13  10.165  -5.666  -5.402
   68    H    CYS  14           H        CYS  14   4.459  -1.728  -0.708
   69    HA   CYS  14           HA       CYS  14   4.786  -4.584  -0.004
   70   2HB   CYS  14          HB2       CYS  14   5.949  -3.002   1.311
   71    H    CYS  15           H        CYS  15   2.383  -2.100   0.345
   72    HA   CYS  15           HA       CYS  15   0.180  -1.950   0.751
   73   2HB   CYS  15          HB2       CYS  15   0.168  -4.703  -0.550
   74    H    ASP  16           H        ASP  16  -0.490  -1.903   2.837
   75    HA   ASP  16           HA       ASP  16  -0.375  -4.160   4.649
   76   2HB   ASP  16          HB2       ASP  16  -1.956  -1.615   4.527
  Start of MODEL   20
    1   1H    VAL   1          H         VAL   1   7.363   3.067   5.044
    2    HA   VAL   1           HA       VAL   1   6.709   1.544   7.300
    3    HB   VAL   1           HB       VAL   1   4.616   2.724   7.961
    4   1HG1  VAL   1          1HG1      VAL   1   6.674   2.966   9.307
    5   2HG1  VAL   1          2HG1      VAL   1   7.122   4.407   8.369
    6   3HG1  VAL   1          3HG1      VAL   1   5.661   4.419   9.376
    7   1HG2  VAL   1          1HG2      VAL   1   5.699   5.081   6.351
    8   2HG2  VAL   1          2HG2      VAL   1   4.269   4.114   5.931
    9   3HG2  VAL   1          3HG2      VAL   1   4.276   5.088   7.408
   10    H    CYS   2           H        CYS   2   4.373   0.651   6.930
   11    HA   CYS   2           HA       CYS   2   4.173  -0.054   4.091
   12   2HB   CYS   2          HB2       CYS   2   2.147  -0.913   6.147
   13    H    CYS   3           H        CYS   3   1.733  -0.038   3.146
   14    HA   CYS   3           HA       CYS   3   0.565   2.620   3.803
   15   2HB   CYS   3          HB2       CYS   3   1.363   2.420   1.494
   16    HA   PRO   4           HA       PRO   4  -2.615   0.039   5.596
   17   2HB   PRO   4          HB2       PRO   4  -3.356   1.906   6.711
   18   2HG   PRO   4          HG2       PRO   4  -3.362   4.066   5.655
   19   2HD   PRO   4          HD2       PRO   4  -1.149   3.215   5.426
   20    H    PHE   5           H        PHE   5  -4.735  -1.008   5.018
   21    HA   PHE   5           HA       PHE   5  -5.441  -1.712   2.473
   22   2HB   PHE   5          HB2       PHE   5  -7.856  -1.603   3.146
   23    HD1  PHE   5           HD2      PHE   5  -5.008  -3.371   3.942
   24    HD2  PHE   5           HD1      PHE   5  -8.926  -2.528   5.553
   25    HE1  PHE   5           HE2      PHE   5  -4.921  -5.441   5.251
   26    HE2  PHE   5           HE1      PHE   5  -8.849  -4.653   6.821
   27    HZ   PHE   5           HZ       PHE   5  -6.839  -6.114   6.679
   28    H    GLY   6           H        GLY   6  -6.482   1.388   3.928
   29   1HA   GLY   6          HA2       GLY   6  -7.532   2.446   1.395
   30   2HA   GLY   6          HA3       GLY   6  -7.380   3.288   2.944
   31    H    GLY   7           H        GLY   7  -5.165   1.696   0.646
   32   1HA   GLY   7          HA2       GLY   7  -3.619   3.986  -0.117
   33   2HA   GLY   7          HA3       GLY   7  -2.870   3.175   1.276
   34    H    CYS   8           H        CYS   8  -3.615   0.491   0.690
   35    HA   CYS   8           HA       CYS   8  -1.624  -0.260  -1.215
   36   2HB   CYS   8          HB2       CYS   8  -3.780  -1.911   0.133
   37    H    HIS   9           H        HIS   9  -2.140   0.905  -3.070
   38    HA   HIS   9           HA       HIS   9  -3.745  -0.804  -4.903
   39   2HB   HIS   9          HB2       HIS   9  -3.890   1.214  -6.382
   40    HD1  HIS   9           HD1      HIS   9  -5.580  -0.133  -3.485
   41    HD2  HIS   9           HD2      HIS   9  -5.804   3.407  -5.759
   42    HE1  HIS   9           HE1      HIS   9  -7.898   0.859  -3.077
   43    H    GLU  10           H        GLU  10  -2.562  -0.327  -7.186
   44    HA   GLU  10           HA       GLU  10  -0.249  -1.758  -7.135
   45   2HB   GLU  10          HB2       GLU  10  -1.037   0.366  -9.191
   46   2HG   GLU  10          HG2       GLU  10   0.540  -2.222  -9.517
   47    H    LEU  11           H        LEU  11  -0.427   1.760  -6.735
   48    HA   LEU  11           HA       LEU  11   2.223   2.451  -7.318
   49   2HB   LEU  11          HB2       LEU  11   1.597   4.376  -5.721
   50    HG   LEU  11           HG       LEU  11  -0.042   3.576  -8.137
   51   1HD1  LEU  11          1HD1      LEU  11  -0.358   6.136  -6.505
   52   2HD1  LEU  11          2HD1      LEU  11  -1.107   5.814  -8.084
   53   3HD1  LEU  11          3HD1      LEU  11  -1.571   4.848  -6.673
   54   1HD2  LEU  11          1HD2      LEU  11   1.093   5.513  -9.160
   55   2HD2  LEU  11          2HD2      LEU  11   1.921   5.858  -7.629
   56   3HD2  LEU  11          3HD2      LEU  11   2.280   4.367  -8.524
   57    H    CYS  12           H        CYS  12   0.876   0.811  -4.509
   58    HA   CYS  12           HA       CYS  12   3.191   1.502  -2.773
   59   2HB   CYS  12          HB2       CYS  12   0.503   0.237  -2.219
   60    H    TYR  13           H        TYR  13   4.808   0.038  -2.555
   61    HA   TYR  13           HA       TYR  13   4.675  -2.614  -3.613
   62   2HB   TYR  13          HB2       TYR  13   6.877  -2.427  -1.983
   63    HD1  TYR  13           HD1      TYR  13   6.018  -0.248  -4.948
   64    HD2  TYR  13           HD2      TYR  13   8.358  -3.544  -3.436
   65    HE1  TYR  13           HE1      TYR  13   7.136  -0.462  -7.140
   66    HE2  TYR  13           HE2      TYR  13   9.485  -3.744  -5.633
   67    HH   TYR  13           HH       TYR  13   8.688  -1.622  -8.392
   68    H    CYS  14           H        CYS  14   4.724  -1.274  -0.283
   69    HA   CYS  14           HA       CYS  14   5.201  -3.811   0.905
   70   2HB   CYS  14          HB2       CYS  14   4.253  -1.196   2.120
   71    H    CYS  15           H        CYS  15   2.240  -1.879   0.997
   72    HA   CYS  15           HA       CYS  15   0.112  -2.274   1.233
   73   2HB   CYS  15          HB2       CYS  15   0.839  -4.994   0.092
   74    H    ASP  16           H        ASP  16  -0.489  -2.169   3.294
   75    HA   ASP  16           HA       ASP  16  -0.496  -4.099   5.345
   76   2HB   ASP  16          HB2       ASP  16  -2.418  -1.991   4.360