*HEADER    TOXIN                                   02-AUG-05   2AJW              
*TITLE     STRUCTURE OF THE CYCLIC CONOTOXIN MII-6                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN MII;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CYCLIC MII-6, M2;                                           
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: GGAAGG LINKER USED TO CYCLISE MII                     
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: A LINEAR SEQUENCE OCCURS NATURALLY IN CONE            
*SOURCE   4 SNAILS                                                               
*KEYWDS    ALPHA-HELIX, CYCLIC BACKBONE                                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    R.J.CLARK, H.FISCHER, L.DEMPSTER, N.L.DALY, K.J.ROSENGREN,            
*AUTHOR   2 S.T.NEVIN, F.A.MEUNIER, D.J.ADAMS, D.J.CRAIK                         
*REVDAT   1   06-SEP-05 2AJW    0                                                

               
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.115    0.315    1.315  
assign (resid   1 and name   HN)   (resid  22 and name   HN)   2.455    0.655    0.655  
assign (resid   1 and name   HN)   (resid  22 and name  HA#)   2.880    1.080    1.080  
assign (resid   1 and name  HA1)   (resid   2 and name   HN)   2.550    0.750    0.900  
assign (resid   1 and name  HA2)   (resid   2 and name   HN)   2.550    0.750    0.900  
assign (resid   2 and name   HN)   (resid   3 and name   HN)   2.315    0.515    0.700  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.750    0.950    0.950  
assign (resid   2 and name   HA)   (resid   5 and name   HN)   2.765    0.965    0.965  
assign (resid   2 and name  HB2)   (resid   3 and name   HN)   2.750    0.950    0.950  
assign (resid   2 and name  HB1)   (resid   3 and name   HN)   2.285    0.485    0.485  
assign (resid   3 and name   HN)   (resid   4 and name   HN)   2.335    0.535    0.535  
assign (resid   17 and name   HN)   (resid  16 and name   HA)   0.000   0.000    3.000  
assign (resid   3 and name   HA)   (resid   5 and name   HN)   2.920    1.120    1.120  
assign (resid   3 and name  HB2)   (resid   4 and name   HN)   2.705    0.905    0.905  
assign (resid   3 and name  HB2)   (resid   9 and name  HD2)   3.015    1.215    1.215  
assign (resid   4 and name   HN)   (resid   5 and name   HN)   2.300    0.500    0.500  
assign (resid   5 and name   HN)   (resid   9 and name  HB2)   3.590    1.790    1.790  
assign (resid   5 and name   HA)   (resid   6 and name  HD2)   2.425    0.625    0.625  
assign (resid   5 and name   HA)   (resid   6 and name  HD1)   2.425    0.625    0.625  
assign (resid   5 and name  HB2)   (resid   9 and name   HN)   2.795    0.995    0.995  
assign (resid   6 and name   HA)   (resid   9 and name  HB2)   2.905    1.105    1.105  
assign (resid   6 and name  HD2)   (resid   7 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name  HD1)   (resid   7 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name  HD#)   (resid   7 and name   HN)   3.395    1.595    1.595  
assign (resid   7 and name   HN)   (resid   8 and name   HN)   2.210    0.410    0.410  
assign (resid   7 and name   HA)   (resid  10 and name   HN)   2.905    1.105    1.105  
assign (resid   7 and name   HA)   (resid  10 and name  HB#)   3.485    1.685    1.685  
assign (resid   7 and name   HB)   (resid   8 and name   HN)   2.315    0.515    0.515  
assign (resid   7 and name   HB)   (resid  12 and name  HD2)   3.650    1.850    1.850  
assign (resid   7 and name HG1#)   (resid   8 and name   HN)   3.900    2.100    2.100  
assign (resid   7 and name HG2#)   (resid   8 and name   HN)   3.900    2.100    2.100  
assign (resid   7 and name  HG*)   (resid   8 and name   HN)   3.560    1.760    1.760  
assign (resid   7 and name  HG*)   (resid  11 and name   HN)   3.950    2.150    2.150    
assign (resid   7 and name  HG*)   (resid  12 and name  HD2)   4.325    2.525    2.525  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   2.610    0.810    0.810  
assign (resid   8 and name   HA)   (resid  11 and name   HN)   3.000    1.200    1.200  
assign (resid   8 and name   HA)   (resid  12 and name  HD2)   2.270    0.470    0.470  
assign (resid   8 and name  HB#)   (resid  12 and name  HD2)   3.235    1.435    1.435  
assign (resid   8 and name  HB#)   (resid  16 and name  HB1)   4.090    2.290    2.290  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   2.750    0.950    0.950    
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   2.100    0.300    0.300  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.315    0.515    0.515  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   0.000    0.000    3.700  
assign (resid  10 and name   HA)   (resid  12 and name   HN)   3.295    1.495    1.495  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   3.050    1.250    1.250  
assign (resid  10 and name  HD#)   (resid  11 and name   HN)   4.715    2.915    2.915  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   3.075    1.275    1.275  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   2.905    1.105    1.105  
assign (resid  11 and name  HG#)   (resid  12 and name   HN)   3.590    1.790    1.790  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.455    0.655    0.655  
assign (resid  12 and name   HA)   (resid  14 and name   HN)   2.610    0.810    0.810  
assign (resid  12 and name  HB2)   (resid  15 and name   HN)   2.920    1.120    1.120  
assign (resid  12 and name  HB2)   (resid  15 and name  HB2)   3.650    1.850    1.850  
assign (resid  12 and name  HB1)   (resid  15 and name  HB2)   3.340    1.540    1.540  
assign (resid  12 and name  HB1)   (resid  15 and name  HB1)   3.340    1.540    1.540  
assign (resid  12 and name  HB1)   (resid  15 and name   HG)   3.370    1.570    1.570  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   2.300    0.500    0.500  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   3.095    1.295    1.295  
assign (resid  13 and name  HB#)   (resid  16 and name   HN)   3.700    1.900    1.900  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.365    0.565    0.565  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   2.285    0.485    0.485  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.690    0.890    0.890  
assign (resid  15 and name  HB2)   (resid  16 and name   HN)   2.875    1.075    1.075  
assign (resid  15 and name  HB1)   (resid  16 and name   HN)   2.875    1.075    1.075  
assign (resid  15 and name  HD#)   (resid  16 and name   HN)   4.125    2.325    2.325  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   2.485    0.685    0.685  
assign (resid  16 and name  HB2)   (resid  17 and name   HN)   0.000    0.000    4.500 
assign (resid  16 and name  HB1)   (resid  17 and name   HN)   3.170    1.370    1.370  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.240    0.440    0.440  
assign (resid  19 and name   HA)   (resid  20 and name   HN)   2.610    0.810    0.810  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   2.240    0.440    0.440  
assign (resid  20 and name   HA)   (resid  21 and name   HN)   2.470    0.670    0.670  


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1           H        GLY   1   3.758   6.057   5.547
    2   1HA   GLY   1          2HA       GLY   1   5.770   5.061   6.209
    3   2HA   GLY   1          1HA       GLY   1   5.085   4.792   7.804
    4    H    CYS   2           H        CYS   2   2.699   3.520   6.757
    5    HA   CYS   2           HA       CYS   2   3.340   0.844   6.919
    6   1HB   CYS   2          2HB       CYS   2   1.098   1.694   7.214
    7   2HB   CYS   2          1HB       CYS   2   1.029   2.226   5.550
    8    H    CYS   3           H        CYS   3   2.977   2.816   4.035
    9    HA   CYS   3           HA       CYS   3   3.096   0.850   2.093
   10   1HB   CYS   3          2HB       CYS   3   4.100   3.688   1.952
   11   2HB   CYS   3          1HB       CYS   3   3.864   2.635   0.558
   12    H    SER   4           H        SER   4   5.693   1.959   4.081
   13    HA   SER   4           HA       SER   4   7.865   1.391   2.385
   14   1HB   SER   4          2HB       SER   4   7.865   1.016   5.384
   15   2HB   SER   4          1HB       SER   4   9.221   1.459   4.346
   16    HG   SER   4           HG       SER   4   7.219   3.020   5.413
   17    H    ASN   5           H        ASN   5   5.890  -0.607   4.499
   18    HA   ASN   5           HA       ASN   5   7.495  -2.970   3.920
   19   1HB   ASN   5          2HB       ASN   5   4.957  -2.692   5.552
   20   2HB   ASN   5          1HB       ASN   5   5.951  -4.140   5.437
   21   1HD2  ASN   5          1HD2      ASN   5   7.287  -4.444   7.064
   22   2HD2  ASN   5          2HD2      ASN   5   7.955  -3.216   8.077
   23    HA   PRO   6           HA       PRO   6   5.140  -3.840   0.228
   24   1HB   PRO   6          2HB       PRO   6   6.074  -6.603   0.837
   25   2HB   PRO   6          1HB       PRO   6   6.200  -5.678  -0.663
   26   1HG   PRO   6          2HG       PRO   6   8.329  -6.031   0.893
   27   2HG   PRO   6          1HG       PRO   6   8.048  -4.483   0.074
   28   1HD   PRO   6          2HD       PRO   6   7.636  -5.218   2.940
   29   2HD   PRO   6          1HD       PRO   6   8.211  -3.692   2.235
   30    H    VAL   7           H        VAL   7   5.007  -6.033   3.015
   31    HA   VAL   7           HA       VAL   7   2.529  -7.233   2.374
   32    HB   VAL   7           HB       VAL   7   3.580  -6.856   5.177
   33   1HG1  VAL   7          1HG1      VAL   7   2.349  -8.772   5.737
   34   2HG1  VAL   7          2HG1      VAL   7   2.122  -9.227   4.047
   35   3HG1  VAL   7          3HG1      VAL   7   1.275  -7.828   4.705
   36   1HG2  VAL   7          1HG2      VAL   7   5.455  -7.683   3.954
   37   2HG2  VAL   7          2HG2      VAL   7   4.455  -8.857   3.098
   38   3HG2  VAL   7          3HG2      VAL   7   4.757  -9.048   4.825
   39    H    CYS   8           H        CYS   8   3.414  -4.591   4.555
   40    HA   CYS   8           HA       CYS   8   0.908  -3.979   5.571
   41   1HB   CYS   8          2HB       CYS   8   3.255  -3.046   6.186
   42   2HB   CYS   8          1HB       CYS   8   2.921  -1.839   4.945
   43    H    HIS   9           H        HIS   9   2.495  -2.814   2.627
   44    HA   HIS   9           HA       HIS   9   0.639  -0.885   1.867
   45   1HB   HIS   9          2HB       HIS   9   2.889  -1.411   0.796
   46   2HB   HIS   9          1HB       HIS   9   2.060  -2.697  -0.078
   47    HD1  HIS   9           1HD      HIS   9  -0.399  -1.470  -1.164
   48    HD2  HIS   9           2HD      HIS   9   3.148   0.683  -0.873
   49    HE1  HIS   9           1HE      HIS   9  -0.601   0.394  -2.837
   50    HE2  HIS   9           2HE      HIS   9   1.483   1.773  -2.525
   51    H    LEU  10           H        LEU  10   0.674  -4.356   1.106
   52    HA   LEU  10           HA       LEU  10  -1.778  -4.200  -0.392
   53   1HB   LEU  10          2HB       LEU  10  -0.021  -5.840  -0.920
   54   2HB   LEU  10          1HB       LEU  10  -0.267  -6.603   0.639
   55    HG   LEU  10           HG       LEU  10  -2.580  -7.185  -0.044
   56   1HD1  LEU  10          1HD1      LEU  10  -1.856  -6.491  -2.857
   57   2HD1  LEU  10          2HD1      LEU  10  -2.562  -5.267  -1.801
   58   3HD1  LEU  10          3HD1      LEU  10  -3.445  -6.757  -2.139
   59   1HD2  LEU  10          1HD2      LEU  10  -1.138  -8.390  -2.248
   60   2HD2  LEU  10          2HD2      LEU  10  -1.790  -9.129  -0.786
   61   3HD2  LEU  10          3HD2      LEU  10  -0.192  -8.387  -0.760
   62    H    GLU  11           H        GLU  11  -0.845  -5.635   2.714
   63    HA   GLU  11           HA       GLU  11  -3.335  -6.599   3.513
   64   1HB   GLU  11          2HB       GLU  11  -1.183  -7.153   4.582
   65   2HB   GLU  11          1HB       GLU  11  -1.077  -5.520   5.212
   66   1HG   GLU  11          2HG       GLU  11  -3.165  -5.952   6.497
   67   2HG   GLU  11          1HG       GLU  11  -3.079  -7.631   5.961
   68    H    HIS  12           H        HIS  12  -1.875  -3.423   3.901
   69    HA   HIS  12           HA       HIS  12  -4.415  -2.437   5.012
   70   1HB   HIS  12          2HB       HIS  12  -1.637  -1.282   5.344
   71   2HB   HIS  12          1HB       HIS  12  -3.112  -0.634   6.052
   72    HD1  HIS  12           1HD      HIS  12  -4.292  -2.186   7.870
   73    HD2  HIS  12           2HD      HIS  12  -0.445  -3.310   6.778
   74    HE1  HIS  12           1HE      HIS  12  -3.553  -3.828   9.616
   75    HE2  HIS  12           2HE      HIS  12  -1.395  -4.752   8.708
   76    H    SER  13           H        SER  13  -4.545  -2.690   2.417
   77    HA   SER  13           HA       SER  13  -3.494  -0.674   0.792
   78   1HB   SER  13          2HB       SER  13  -6.063  -2.249   0.540
   79   2HB   SER  13          1HB       SER  13  -5.434  -1.191  -0.722
   80    HG   SER  13           HG       SER  13  -4.207  -3.520   0.355
   81    H    ASN  14           H        ASN  14  -6.095  -0.633   3.076
   82    HA   ASN  14           HA       ASN  14  -7.484   1.643   2.153
   83   1HB   ASN  14          2HB       ASN  14  -8.483   1.741   4.358
   84   2HB   ASN  14          1HB       ASN  14  -8.369   0.056   3.865
   85   1HD2  ASN  14          1HD2      ASN  14  -8.055   2.013   6.408
   86   2HD2  ASN  14          2HD2      ASN  14  -6.893   1.140   7.339
   87    H    LEU  15           H        LEU  15  -4.653   1.215   4.197
   88    HA   LEU  15           HA       LEU  15  -4.449   4.027   4.818
   89   1HB   LEU  15          2HB       LEU  15  -2.459   1.779   5.185
   90   2HB   LEU  15          1HB       LEU  15  -2.279   3.401   5.823
   91    HG   LEU  15           HG       LEU  15  -4.443   1.446   6.612
   92   1HD1  LEU  15          1HD1      LEU  15  -2.550   0.595   7.618
   93   2HD1  LEU  15          2HD1      LEU  15  -3.140   1.714   8.847
   94   3HD1  LEU  15          3HD1      LEU  15  -1.802   2.181   7.797
   95   1HD2  LEU  15          1HD2      LEU  15  -3.768   4.014   8.001
   96   2HD2  LEU  15          2HD2      LEU  15  -5.224   3.031   8.131
   97   3HD2  LEU  15          3HD2      LEU  15  -4.924   3.972   6.670
   98    H    CYS  16           H        CYS  16  -2.647   1.678   2.875
   99    HA   CYS  16           HA       CYS  16  -1.098   3.737   1.578
  100   1HB   CYS  16          2HB       CYS  16  -1.201   0.751   1.444
  101   2HB   CYS  16          1HB       CYS  16  -0.368   1.649   0.181
  102    H    GLY  17           H        GLY  17  -3.802   4.130   1.224
  103   1HA   GLY  17          2HA       GLY  17  -3.947   4.488  -1.587
  104   2HA   GLY  17          1HA       GLY  17  -4.999   3.171  -1.076
  105    H    GLY  18           H        GLY  18  -4.239   5.955   0.886
  106   1HA   GLY  18          2HA       GLY  18  -6.317   7.666   0.253
  107   2HA   GLY  18          1HA       GLY  18  -6.976   6.510   1.402
  108    H    ALA  19           H        ALA  19  -4.868   6.106   3.100
  109    HA   ALA  19           HA       ALA  19  -4.798   8.659   4.502
  110   1HB   ALA  19          1HB       ALA  19  -5.487   6.706   5.763
  111   2HB   ALA  19          2HB       ALA  19  -3.971   7.338   6.407
  112   3HB   ALA  19          3HB       ALA  19  -3.964   5.899   5.388
  113    H    ALA  20           H        ALA  20  -3.137   8.000   2.112
  114    HA   ALA  20           HA       ALA  20  -1.063   8.384   1.280
  115   1HB   ALA  20          1HB       ALA  20  -0.983  10.533   2.030
  116   2HB   ALA  20          2HB       ALA  20   0.405   9.872   2.894
  117   3HB   ALA  20          3HB       ALA  20  -1.139  10.069   3.725
  118    H    GLY  21           H        GLY  21  -1.527   6.025   3.039
  119   1HA   GLY  21          2HA       GLY  21  -0.247   4.187   3.566
  120   2HA   GLY  21          1HA       GLY  21   1.174   5.084   3.064
  121    H    GLY  22           H        GLY  22   1.362   7.137   4.765
  122   1HA   GLY  22          2HA       GLY  22   2.011   7.729   6.889
  123   2HA   GLY  22          1HA       GLY  22   0.820   6.581   7.480
  Start of MODEL    2
    1   1H    GLY   1           H        GLY   1   4.579   5.450   4.899
    2   1HA   GLY   1          2HA       GLY   1   6.856   5.050   5.579
    3   2HA   GLY   1          1HA       GLY   1   6.332   5.151   7.252
    4    H    CYS   2           H        CYS   2   4.187   3.506   7.296
    5    HA   CYS   2           HA       CYS   2   5.348   0.924   7.438
    6   1HB   CYS   2          2HB       CYS   2   3.395   1.751   8.799
    7   2HB   CYS   2          1HB       CYS   2   2.403   1.623   7.358
    8    H    CYS   3           H        CYS   3   3.407   2.603   5.113
    9    HA   CYS   3           HA       CYS   3   2.666   0.517   3.429
   10   1HB   CYS   3          2HB       CYS   3   3.219   3.407   2.764
   11   2HB   CYS   3          1HB       CYS   3   2.342   2.274   1.736
   12    H    SER   4           H        SER   4   5.769   1.888   3.922
   13    HA   SER   4           HA       SER   4   6.902   1.412   1.374
   14   1HB   SER   4          2HB       SER   4   8.270   1.424   4.079
   15   2HB   SER   4          1HB       SER   4   9.056   1.619   2.512
   16    HG   SER   4           HG       SER   4   8.751   3.654   3.256
   17    H    ASN   5           H        ASN   5   6.022  -0.595   4.026
   18    HA   ASN   5           HA       ASN   5   7.642  -2.847   3.147
   19   1HB   ASN   5          2HB       ASN   5   5.510  -2.689   5.299
   20   2HB   ASN   5          1HB       ASN   5   6.583  -4.054   5.017
   21   1HD2  ASN   5          1HD2      ASN   5   8.249  -4.161   6.333
   22   2HD2  ASN   5          2HD2      ASN   5   9.012  -2.830   7.123
   23    HA   PRO   6           HA       PRO   6   4.708  -4.168   0.096
   24   1HB   PRO   6          2HB       PRO   6   5.348  -6.889   0.347
   25   2HB   PRO   6          1HB       PRO   6   6.092  -5.737  -0.761
   26   1HG   PRO   6          2HG       PRO   6   7.039  -6.699   1.894
   27   2HG   PRO   6          1HG       PRO   6   7.976  -6.285   0.447
   28   1HD   PRO   6          2HD       PRO   6   7.877  -4.636   2.550
   29   2HD   PRO   6          1HD       PRO   6   7.876  -4.003   0.889
   30    H    VAL   7           H        VAL   7   4.949  -6.008   3.134
   31    HA   VAL   7           HA       VAL   7   2.445  -7.288   2.929
   32    HB   VAL   7           HB       VAL   7   3.742  -6.515   5.536
   33   1HG1  VAL   7          1HG1      VAL   7   2.465  -9.148   5.080
   34   2HG1  VAL   7          2HG1      VAL   7   1.407  -7.739   5.154
   35   3HG1  VAL   7          3HG1      VAL   7   2.469  -8.118   6.512
   36   1HG2  VAL   7          1HG2      VAL   7   5.574  -7.643   4.942
   37   2HG2  VAL   7          2HG2      VAL   7   4.829  -8.186   3.439
   38   3HG2  VAL   7          3HG2      VAL   7   4.581  -9.100   4.925
   39    H    CYS   8           H        CYS   8   3.460  -4.452   4.783
   40    HA   CYS   8           HA       CYS   8   0.942  -3.782   5.790
   41   1HB   CYS   8          2HB       CYS   8   3.150  -2.916   6.608
   42   2HB   CYS   8          1HB       CYS   8   3.194  -1.857   5.203
   43    H    HIS   9           H        HIS   9   2.585  -2.737   2.825
   44    HA   HIS   9           HA       HIS   9   0.703  -0.799   2.051
   45   1HB   HIS   9          2HB       HIS   9   3.016  -1.228   1.055
   46   2HB   HIS   9          1HB       HIS   9   2.254  -2.508   0.115
   47    HD1  HIS   9           1HD      HIS   9  -0.233  -1.278  -0.970
   48    HD2  HIS   9           2HD      HIS   9   3.299   0.888  -0.590
   49    HE1  HIS   9           1HE      HIS   9  -0.427   0.624  -2.602
   50    HE2  HIS   9           2HE      HIS   9   1.637   2.016  -2.223
   51    H    LEU  10           H        LEU  10   0.916  -4.249   1.197
   52    HA   LEU  10           HA       LEU  10  -1.433  -4.159  -0.427
   53   1HB   LEU  10          2HB       LEU  10   0.399  -6.292   0.533
   54   2HB   LEU  10          1HB       LEU  10  -1.191  -6.774  -0.023
   55    HG   LEU  10           HG       LEU  10   0.419  -6.991  -1.818
   56   1HD1  LEU  10          1HD1      LEU  10  -0.935  -4.611  -2.831
   57   2HD1  LEU  10          2HD1      LEU  10  -2.000  -5.745  -2.001
   58   3HD1  LEU  10          3HD1      LEU  10  -1.027  -6.289  -3.367
   59   1HD2  LEU  10          1HD2      LEU  10   2.140  -5.486  -1.318
   60   2HD2  LEU  10          2HD2      LEU  10   1.032  -4.118  -1.203
   61   3HD2  LEU  10          3HD2      LEU  10   1.391  -4.832  -2.775
   62    H    GLU  11           H        GLU  11  -0.775  -5.460   2.819
   63    HA   GLU  11           HA       GLU  11  -3.360  -6.434   3.323
   64   1HB   GLU  11          2HB       GLU  11  -1.426  -7.056   4.678
   65   2HB   GLU  11          1HB       GLU  11  -1.262  -5.399   5.242
   66   1HG   GLU  11          2HG       GLU  11  -3.706  -5.767   6.095
   67   2HG   GLU  11          1HG       GLU  11  -3.262  -7.471   5.991
   68    H    HIS  12           H        HIS  12  -1.866  -3.308   4.071
   69    HA   HIS  12           HA       HIS  12  -4.487  -2.289   4.901
   70   1HB   HIS  12          2HB       HIS  12  -1.785  -0.973   5.223
   71   2HB   HIS  12          1HB       HIS  12  -3.298  -0.472   5.964
   72    HD1  HIS  12           1HD      HIS  12  -4.297  -2.169   7.787
   73    HD2  HIS  12           2HD      HIS  12  -0.357  -2.848   6.655
   74    HE1  HIS  12           1HE      HIS  12  -3.350  -3.694   9.537
   75    HE2  HIS  12           2HE      HIS  12  -1.107  -4.358   8.609
   76    H    SER  13           H        SER  13  -4.329  -2.684   2.213
   77    HA   SER  13           HA       SER  13  -3.344  -0.553   0.682
   78   1HB   SER  13          2HB       SER  13  -5.652  -2.438   0.178
   79   2HB   SER  13          1HB       SER  13  -5.066  -1.281  -1.016
   80    HG   SER  13           HG       SER  13  -3.777  -3.552   0.052
   81    H    ASN  14           H        ASN  14  -6.131  -0.814   2.693
   82    HA   ASN  14           HA       ASN  14  -7.698   1.263   1.601
   83   1HB   ASN  14          2HB       ASN  14  -8.926   1.219   3.688
   84   2HB   ASN  14          1HB       ASN  14  -8.551  -0.433   3.216
   85   1HD2  ASN  14          1HD2      ASN  14  -8.774   1.501   5.775
   86   2HD2  ASN  14          2HD2      ASN  14  -7.608   0.780   6.826
   87    H    LEU  15           H        LEU  15  -5.007   1.216   3.854
   88    HA   LEU  15           HA       LEU  15  -5.268   4.088   4.342
   89   1HB   LEU  15          2HB       LEU  15  -3.290   2.073   5.423
   90   2HB   LEU  15          1HB       LEU  15  -3.389   3.755   5.908
   91    HG   LEU  15           HG       LEU  15  -5.564   1.705   6.332
   92   1HD1  LEU  15          1HD1      LEU  15  -3.740   1.142   7.746
   93   2HD1  LEU  15          2HD1      LEU  15  -4.923   1.994   8.739
   94   3HD1  LEU  15          3HD1      LEU  15  -3.474   2.830   8.181
   95   1HD2  LEU  15          1HD2      LEU  15  -6.512   3.896   6.121
   96   2HD2  LEU  15          2HD2      LEU  15  -5.289   4.579   7.194
   97   3HD2  LEU  15          3HD2      LEU  15  -6.496   3.462   7.831
   98    H    CYS  16           H        CYS  16  -3.125   1.723   2.900
   99    HA   CYS  16           HA       CYS  16  -1.226   3.694   1.993
  100   1HB   CYS  16          2HB       CYS  16  -1.454   0.729   1.448
  101   2HB   CYS  16          1HB       CYS  16  -0.092   1.745   0.983
  102    H    GLY  17           H        GLY  17  -3.751   4.264   1.024
  103   1HA   GLY  17          2HA       GLY  17  -4.044   3.260  -1.659
  104   2HA   GLY  17          1HA       GLY  17  -4.998   4.530  -0.907
  105    H    GLY  18           H        GLY  18  -3.388   4.138  -3.526
  106   1HA   GLY  18          2HA       GLY  18  -2.354   5.556  -5.004
  107   2HA   GLY  18          1HA       GLY  18  -2.783   6.865  -3.917
  108    H    ALA  19           H        ALA  19  -1.163   7.957  -3.107
  109    HA   ALA  19           HA       ALA  19   1.525   7.395  -3.582
  110   1HB   ALA  19          1HB       ALA  19   0.039   9.359  -1.947
  111   2HB   ALA  19          2HB       ALA  19   1.264   9.613  -3.190
  112   3HB   ALA  19          3HB       ALA  19   1.745   9.126  -1.566
  113    H    ALA  20           H        ALA  20  -0.527   6.604  -0.881
  114    HA   ALA  20           HA       ALA  20  -0.284   5.232   0.904
  115   1HB   ALA  20          1HB       ALA  20   0.415   3.332  -0.027
  116   2HB   ALA  20          2HB       ALA  20   2.013   3.767   0.578
  117   3HB   ALA  20          3HB       ALA  20   1.561   4.163  -1.079
  118    H    GLY  21           H        GLY  21   0.568   7.767   1.323
  119   1HA   GLY  21          2HA       GLY  21   3.213   7.873   2.425
  120   2HA   GLY  21          1HA       GLY  21   1.955   9.090   2.617
  121    H    GLY  22           H        GLY  22   3.881   7.313   4.423
  122   1HA   GLY  22          2HA       GLY  22   2.571   7.597   6.807
  123   2HA   GLY  22          1HA       GLY  22   2.023   6.042   6.203
  Start of MODEL    3
    1   1H    GLY   1           H        GLY   1   3.914   4.946   5.462
    2   1HA   GLY   1          2HA       GLY   1   6.382   4.426   6.520
    3   2HA   GLY   1          1HA       GLY   1   5.311   4.424   7.918
    4    H    CYS   2           H        CYS   2   3.045   3.434   6.626
    5    HA   CYS   2           HA       CYS   2   3.422   0.655   6.859
    6   1HB   CYS   2          2HB       CYS   2   1.279   1.786   7.268
    7   2HB   CYS   2          1HB       CYS   2   1.175   2.228   5.574
    8    H    CYS   3           H        CYS   3   3.091   2.792   4.088
    9    HA   CYS   3           HA       CYS   3   3.017   0.875   2.071
   10   1HB   CYS   3          2HB       CYS   3   4.060   3.703   1.947
   11   2HB   CYS   3          1HB       CYS   3   3.616   2.710   0.557
   12    H    SER   4           H        SER   4   5.728   2.041   3.891
   13    HA   SER   4           HA       SER   4   7.789   1.422   2.081
   14   1HB   SER   4          2HB       SER   4   7.929   1.239   5.099
   15   2HB   SER   4          1HB       SER   4   9.257   1.556   3.982
   16    HG   SER   4           HG       SER   4   8.732   3.586   3.991
   17    H    ASN   5           H        ASN   5   5.934  -0.489   4.346
   18    HA   ASN   5           HA       ASN   5   7.516  -2.881   3.840
   19   1HB   ASN   5          2HB       ASN   5   5.141  -2.327   5.626
   20   2HB   ASN   5          1HB       ASN   5   5.820  -3.936   5.407
   21   1HD2  ASN   5          1HD2      ASN   5   5.883  -1.222   7.286
   22   2HD2  ASN   5          2HD2      ASN   5   7.402  -1.463   8.068
   23    HA   PRO   6           HA       PRO   6   5.029  -3.947   0.298
   24   1HB   PRO   6          2HB       PRO   6   5.972  -6.681   0.993
   25   2HB   PRO   6          1HB       PRO   6   6.070  -5.812  -0.542
   26   1HG   PRO   6          2HG       PRO   6   8.231  -6.127   0.982
   27   2HG   PRO   6          1HG       PRO   6   7.947  -4.612   0.104
   28   1HD   PRO   6          2HD       PRO   6   7.580  -5.221   3.007
   29   2HD   PRO   6          1HD       PRO   6   8.168  -3.736   2.229
   30    H    VAL   7           H        VAL   7   4.981  -6.039   3.172
   31    HA   VAL   7           HA       VAL   7   2.490  -7.258   2.646
   32    HB   VAL   7           HB       VAL   7   3.633  -6.783   5.397
   33   1HG1  VAL   7          1HG1      VAL   7   2.520  -8.886   5.941
   34   2HG1  VAL   7          2HG1      VAL   7   1.933  -9.011   4.282
   35   3HG1  VAL   7          3HG1      VAL   7   1.373  -7.699   5.318
   36   1HG2  VAL   7          1HG2      VAL   7   5.225  -8.380   5.142
   37   2HG2  VAL   7          2HG2      VAL   7   5.144  -7.857   3.461
   38   3HG2  VAL   7          3HG2      VAL   7   4.273  -9.301   3.977
   39    H    CYS   8           H        CYS   8   3.413  -4.535   4.704
   40    HA   CYS   8           HA       CYS   8   0.888  -3.925   5.723
   41   1HB   CYS   8          2HB       CYS   8   3.244  -3.005   6.352
   42   2HB   CYS   8          1HB       CYS   8   2.915  -1.796   5.114
   43    H    HIS   9           H        HIS   9   2.560  -2.708   2.843
   44    HA   HIS   9           HA       HIS   9   0.638  -0.847   2.024
   45   1HB   HIS   9          2HB       HIS   9   2.990  -1.180   1.108
   46   2HB   HIS   9          1HB       HIS   9   2.329  -2.508   0.157
   47    HD1  HIS   9           1HD      HIS   9  -0.185  -1.371  -1.013
   48    HD2  HIS   9           2HD      HIS   9   3.288   0.881  -0.602
   49    HE1  HIS   9           1HE      HIS   9  -0.373   0.477  -2.708
   50    HE2  HIS   9           2HE      HIS   9   1.660   1.914  -2.326
   51    H    LEU  10           H        LEU  10   0.980  -4.282   1.234
   52    HA   LEU  10           HA       LEU  10  -1.233  -4.334  -0.555
   53   1HB   LEU  10          2HB       LEU  10   0.618  -5.939  -0.671
   54   2HB   LEU  10          1HB       LEU  10   0.151  -6.596   0.884
   55    HG   LEU  10           HG       LEU  10  -2.013  -7.311  -0.109
   56   1HD1  LEU  10          1HD1      LEU  10  -0.931  -6.952  -2.842
   57   2HD1  LEU  10          2HD1      LEU  10  -1.598  -5.528  -2.041
   58   3HD1  LEU  10          3HD1      LEU  10  -2.600  -6.960  -2.271
   59   1HD2  LEU  10          1HD2      LEU  10  -0.998  -9.258  -0.409
   60   2HD2  LEU  10          2HD2      LEU  10   0.556  -8.425  -0.449
   61   3HD2  LEU  10          3HD2      LEU  10  -0.335  -8.705  -1.947
   62    H    GLU  11           H        GLU  11  -0.833  -5.655   2.730
   63    HA   GLU  11           HA       GLU  11  -3.476  -6.524   3.067
   64   1HB   GLU  11          2HB       GLU  11  -1.692  -7.307   4.495
   65   2HB   GLU  11          1HB       GLU  11  -1.390  -5.679   5.081
   66   1HG   GLU  11          2HG       GLU  11  -3.915  -5.867   5.835
   67   2HG   GLU  11          1HG       GLU  11  -3.542  -7.591   5.796
   68    H    HIS  12           H        HIS  12  -1.913  -3.531   4.144
   69    HA   HIS  12           HA       HIS  12  -4.486  -2.454   4.977
   70   1HB   HIS  12          2HB       HIS  12  -1.714  -1.261   5.193
   71   2HB   HIS  12          1HB       HIS  12  -3.176  -0.611   5.927
   72    HD1  HIS  12           1HD      HIS  12  -4.310  -2.216   7.781
   73    HD2  HIS  12           2HD      HIS  12  -0.414  -3.151   6.689
   74    HE1  HIS  12           1HE      HIS  12  -3.471  -3.769   9.562
   75    HE2  HIS  12           2HE      HIS  12  -1.272  -4.589   8.654
   76    H    SER  13           H        SER  13  -4.884  -2.730   2.510
   77    HA   SER  13           HA       SER  13  -3.886  -0.959   0.618
   78   1HB   SER  13          2HB       SER  13  -6.775  -1.797   0.659
   79   2HB   SER  13          1HB       SER  13  -5.705  -1.595  -0.727
   80    HG   SER  13           HG       SER  13  -4.487  -3.422   0.425
   81    H    ASN  14           H        ASN  14  -6.355  -0.499   3.069
   82    HA   ASN  14           HA       ASN  14  -7.411   1.927   2.081
   83   1HB   ASN  14          2HB       ASN  14  -8.471   2.178   4.234
   84   2HB   ASN  14          1HB       ASN  14  -8.546   0.485   3.769
   85   1HD2  ASN  14          1HD2      ASN  14  -8.173   2.379   6.318
   86   2HD2  ASN  14          2HD2      ASN  14  -7.143   1.405   7.303
   87    H    LEU  15           H        LEU  15  -4.821   1.235   4.406
   88    HA   LEU  15           HA       LEU  15  -4.310   3.961   5.035
   89   1HB   LEU  15          2HB       LEU  15  -2.532   1.532   5.286
   90   2HB   LEU  15          1HB       LEU  15  -2.173   3.106   5.968
   91    HG   LEU  15           HG       LEU  15  -4.504   1.345   6.738
   92   1HD1  LEU  15          1HD1      LEU  15  -2.607   2.020   8.810
   93   2HD1  LEU  15          2HD1      LEU  15  -1.835   1.160   7.478
   94   3HD1  LEU  15          3HD1      LEU  15  -3.216   0.443   8.307
   95   1HD2  LEU  15          1HD2      LEU  15  -5.418   3.264   7.427
   96   2HD2  LEU  15          2HD2      LEU  15  -3.919   4.165   7.194
   97   3HD2  LEU  15          3HD2      LEU  15  -4.180   3.258   8.684
   98    H    CYS  16           H        CYS  16  -2.819   1.633   2.849
   99    HA   CYS  16           HA       CYS  16  -1.168   3.727   1.680
  100   1HB   CYS  16          2HB       CYS  16  -1.178   0.735   1.529
  101   2HB   CYS  16          1HB       CYS  16  -0.314   1.681   0.321
  102    H    GLY  17           H        GLY  17  -3.705   4.258   1.243
  103   1HA   GLY  17          2HA       GLY  17  -3.889   4.133  -1.638
  104   2HA   GLY  17          1HA       GLY  17  -5.197   3.321  -0.784
  105    H    GLY  18           H        GLY  18  -5.469   5.025   1.412
  106   1HA   GLY  18          2HA       GLY  18  -5.706   7.747   0.577
  107   2HA   GLY  18          1HA       GLY  18  -7.253   6.914   0.512
  108    H    ALA  19           H        ALA  19  -4.504   6.988   2.811
  109    HA   ALA  19           HA       ALA  19  -6.302   7.998   4.853
  110   1HB   ALA  19          1HB       ALA  19  -5.515   5.228   4.711
  111   2HB   ALA  19          2HB       ALA  19  -6.689   6.012   5.767
  112   3HB   ALA  19          3HB       ALA  19  -4.986   5.973   6.219
  113    H    ALA  20           H        ALA  20  -3.197   6.343   5.137
  114    HA   ALA  20           HA       ALA  20  -1.581   8.658   5.231
  115   1HB   ALA  20          1HB       ALA  20  -1.229   8.023   7.901
  116   2HB   ALA  20          2HB       ALA  20  -2.981   8.001   7.690
  117   3HB   ALA  20          3HB       ALA  20  -2.059   9.444   7.263
  118    H    GLY  21           H        GLY  21  -0.900   6.611   3.856
  119   1HA   GLY  21          2HA       GLY  21   0.489   4.559   5.323
  120   2HA   GLY  21          1HA       GLY  21   0.497   4.783   3.582
  121    H    GLY  22           H        GLY  22   1.498   6.990   6.182
  122   1HA   GLY  22          2HA       GLY  22   3.961   7.594   4.794
  123   2HA   GLY  22          1HA       GLY  22   3.401   8.316   6.295
  Start of MODEL    4
    1   1H    GLY   1           H        GLY   1   5.718   4.394   5.539
    2   1HA   GLY   1          2HA       GLY   1   7.514   2.887   7.140
    3   2HA   GLY   1          1HA       GLY   1   6.148   3.414   8.107
    4    H    CYS   2           H        CYS   2   3.994   2.857   7.259
    5    HA   CYS   2           HA       CYS   2   3.755   0.108   6.830
    6   1HB   CYS   2          2HB       CYS   2   1.979   1.541   7.793
    7   2HB   CYS   2          1HB       CYS   2   1.709   2.246   6.207
    8    H    CYS   3           H        CYS   3   3.492   2.799   4.563
    9    HA   CYS   3           HA       CYS   3   2.821   1.252   2.312
   10   1HB   CYS   3          2HB       CYS   3   4.235   3.922   2.370
   11   2HB   CYS   3          1HB       CYS   3   3.385   3.224   0.995
   12    H    SER   4           H        SER   4   5.874   2.074   3.776
   13    HA   SER   4           HA       SER   4   7.571   1.387   1.635
   14   1HB   SER   4          2HB       SER   4   8.212   1.206   4.584
   15   2HB   SER   4          1HB       SER   4   9.339   1.478   3.254
   16    HG   SER   4           HG       SER   4   8.961   3.516   3.515
   17    H    ASN   5           H        ASN   5   6.019  -0.478   4.164
   18    HA   ASN   5           HA       ASN   5   7.504  -2.880   3.473
   19   1HB   ASN   5          2HB       ASN   5   5.328  -2.346   5.504
   20   2HB   ASN   5          1HB       ASN   5   6.007  -3.943   5.219
   21   1HD2  ASN   5          1HD2      ASN   5   7.473  -4.491   6.654
   22   2HD2  ASN   5          2HD2      ASN   5   8.575  -3.426   7.446
   23    HA   PRO   6           HA       PRO   6   4.682  -3.931   0.203
   24   1HB   PRO   6          2HB       PRO   6   5.340  -6.643   0.246
   25   2HB   PRO   6          1HB       PRO   6   6.145  -5.399  -0.712
   26   1HG   PRO   6          2HG       PRO   6   6.940  -6.591   1.903
   27   2HG   PRO   6          1HG       PRO   6   7.957  -6.078   0.545
   28   1HD   PRO   6          2HD       PRO   6   7.747  -4.599   2.766
   29   2HD   PRO   6          1HD       PRO   6   7.870  -3.843   1.163
   30    H    VAL   7           H        VAL   7   4.906  -5.951   3.115
   31    HA   VAL   7           HA       VAL   7   2.415  -7.248   2.808
   32    HB   VAL   7           HB       VAL   7   3.679  -6.644   5.472
   33   1HG1  VAL   7          1HG1      VAL   7   2.276  -8.157   6.307
   34   2HG1  VAL   7          2HG1      VAL   7   2.604  -9.305   5.009
   35   3HG1  VAL   7          3HG1      VAL   7   1.405  -8.032   4.778
   36   1HG2  VAL   7          1HG2      VAL   7   4.663  -8.418   3.301
   37   2HG2  VAL   7          2HG2      VAL   7   4.742  -9.031   4.953
   38   3HG2  VAL   7          3HG2      VAL   7   5.561  -7.526   4.530
   39    H    CYS   8           H        CYS   8   3.410  -4.501   4.808
   40    HA   CYS   8           HA       CYS   8   0.884  -3.945   5.879
   41   1HB   CYS   8          2HB       CYS   8   3.237  -3.077   6.570
   42   2HB   CYS   8          1HB       CYS   8   2.930  -1.796   5.404
   43    H    HIS   9           H        HIS   9   2.504  -2.710   2.974
   44    HA   HIS   9           HA       HIS   9   0.533  -0.808   2.287
   45   1HB   HIS   9          2HB       HIS   9   2.859  -0.962   1.321
   46   2HB   HIS   9          1HB       HIS   9   2.298  -2.330   0.364
   47    HD1  HIS   9           1HD      HIS   9  -0.067  -1.563  -1.074
   48    HD2  HIS   9           2HD      HIS   9   2.768   1.316  -0.100
   49    HE1  HIS   9           1HE      HIS   9  -0.454   0.333  -2.676
   50    HE2  HIS   9           2HE      HIS   9   1.093   2.157  -1.884
   51    H    LEU  10           H        LEU  10   0.984  -4.191   1.297
   52    HA   LEU  10           HA       LEU  10  -1.262  -4.257  -0.436
   53   1HB   LEU  10          2HB       LEU  10   0.600  -5.835  -0.611
   54   2HB   LEU  10          1HB       LEU  10   0.187  -6.510   0.952
   55    HG   LEU  10           HG       LEU  10  -1.997  -7.247   0.005
   56   1HD1  LEU  10          1HD1      LEU  10  -2.003  -5.550  -1.838
   57   2HD1  LEU  10          2HD1      LEU  10  -2.406  -7.193  -2.338
   58   3HD1  LEU  10          3HD1      LEU  10  -0.800  -6.539  -2.664
   59   1HD2  LEU  10          1HD2      LEU  10   0.528  -8.241  -1.305
   60   2HD2  LEU  10          2HD2      LEU  10  -1.023  -9.076  -1.381
   61   3HD2  LEU  10          3HD2      LEU  10  -0.221  -8.843   0.173
   62    H    GLU  11           H        GLU  11  -0.804  -5.531   2.863
   63    HA   GLU  11           HA       GLU  11  -3.429  -6.477   3.211
   64   1HB   GLU  11          2HB       GLU  11  -1.587  -7.169   4.649
   65   2HB   GLU  11          1HB       GLU  11  -1.401  -5.526   5.245
   66   1HG   GLU  11          2HG       GLU  11  -3.887  -5.831   5.987
   67   2HG   GLU  11          1HG       GLU  11  -3.496  -7.546   5.866
   68    H    HIS  12           H        HIS  12  -1.909  -3.422   4.175
   69    HA   HIS  12           HA       HIS  12  -4.533  -2.346   4.896
   70   1HB   HIS  12          2HB       HIS  12  -1.805  -1.112   5.323
   71   2HB   HIS  12          1HB       HIS  12  -3.326  -0.570   6.020
   72    HD1  HIS  12           1HD      HIS  12  -4.416  -2.207   7.825
   73    HD2  HIS  12           2HD      HIS  12  -0.508  -3.103   6.730
   74    HE1  HIS  12           1HE      HIS  12  -3.581  -3.803   9.569
   75    HE2  HIS  12           2HE      HIS  12  -1.367  -4.585   8.663
   76    H    SER  13           H        SER  13  -4.383  -2.686   2.234
   77    HA   SER  13           HA       SER  13  -3.285  -0.571   0.742
   78   1HB   SER  13          2HB       SER  13  -5.634  -2.389   0.174
   79   2HB   SER  13          1HB       SER  13  -5.008  -1.224  -0.994
   80    HG   SER  13           HG       SER  13  -3.756  -3.526   0.070
   81    H    ASN  14           H        ASN  14  -6.072  -0.764   2.739
   82    HA   ASN  14           HA       ASN  14  -7.564   1.381   1.651
   83   1HB   ASN  14          2HB       ASN  14  -8.838   1.325   3.710
   84   2HB   ASN  14          1HB       ASN  14  -8.500  -0.328   3.212
   85   1HD2  ASN  14          1HD2      ASN  14  -8.690   1.590   5.802
   86   2HD2  ASN  14          2HD2      ASN  14  -7.577   0.802   6.860
   87    H    LEU  15           H        LEU  15  -4.905   1.177   3.925
   88    HA   LEU  15           HA       LEU  15  -5.097   4.015   4.570
   89   1HB   LEU  15          2HB       LEU  15  -3.125   1.911   5.470
   90   2HB   LEU  15          1HB       LEU  15  -3.179   3.562   6.058
   91    HG   LEU  15           HG       LEU  15  -5.387   1.533   6.413
   92   1HD1  LEU  15          1HD1      LEU  15  -3.139   2.423   8.189
   93   2HD1  LEU  15          2HD1      LEU  15  -3.644   0.784   7.777
   94   3HD1  LEU  15          3HD1      LEU  15  -4.638   1.770   8.848
   95   1HD2  LEU  15          1HD2      LEU  15  -6.648   3.303   6.881
   96   2HD2  LEU  15          2HD2      LEU  15  -5.272   4.396   6.724
   97   3HD2  LEU  15          3HD2      LEU  15  -5.603   3.609   8.268
   98    H    CYS  16           H        CYS  16  -2.785   1.759   3.125
   99    HA   CYS  16           HA       CYS  16  -1.237   3.999   2.097
  100   1HB   CYS  16          2HB       CYS  16  -0.684   1.090   2.484
  101   2HB   CYS  16          1HB       CYS  16   0.249   1.992   1.293
  102    H    GLY  17           H        GLY  17  -3.591   3.981   0.868
  103   1HA   GLY  17          2HA       GLY  17  -3.889   2.392  -1.422
  104   2HA   GLY  17          1HA       GLY  17  -4.522   4.026  -1.245
  105    H    GLY  18           H        GLY  18  -2.134   5.395  -0.910
  106   1HA   GLY  18          2HA       GLY  18  -0.989   5.178  -3.613
  107   2HA   GLY  18          1HA       GLY  18  -1.027   6.646  -2.643
  108    H    ALA  19           H        ALA  19   0.906   7.198  -1.946
  109    HA   ALA  19           HA       ALA  19   2.609   5.246  -0.642
  110   1HB   ALA  19          1HB       ALA  19   3.683   4.908  -2.633
  111   2HB   ALA  19          2HB       ALA  19   4.562   6.333  -2.078
  112   3HB   ALA  19          3HB       ALA  19   3.262   6.502  -3.256
  113    H    ALA  20           H        ALA  20   1.199   7.242   0.531
  114    HA   ALA  20           HA       ALA  20   3.136   9.397   1.016
  115   1HB   ALA  20          1HB       ALA  20   0.212   9.304   0.889
  116   2HB   ALA  20          2HB       ALA  20   1.318  10.650   0.621
  117   3HB   ALA  20          3HB       ALA  20   0.848  10.208   2.262
  118    H    GLY  21           H        GLY  21   3.384   6.766   2.136
  119   1HA   GLY  21          2HA       GLY  21   3.145   7.472   4.992
  120   2HA   GLY  21          1HA       GLY  21   2.753   5.857   4.416
  121    H    GLY  22           H        GLY  22   5.054   7.554   5.933
  122   1HA   GLY  22          2HA       GLY  22   7.379   6.393   4.651
  123   2HA   GLY  22          1HA       GLY  22   7.380   7.475   6.036
  Start of MODEL    5
    1   1H    GLY   1           H        GLY   1   6.384   4.993   6.176
    2   1HA   GLY   1          2HA       GLY   1   7.476   3.071   6.813
    3   2HA   GLY   1          1HA       GLY   1   6.503   3.053   8.269
    4    H    CYS   2           H        CYS   2   3.977   2.828   7.238
    5    HA   CYS   2           HA       CYS   2   3.745   0.075   6.802
    6   1HB   CYS   2          2HB       CYS   2   1.965   1.544   7.740
    7   2HB   CYS   2          1HB       CYS   2   1.702   2.199   6.130
    8    H    CYS   3           H        CYS   3   3.427   2.769   4.511
    9    HA   CYS   3           HA       CYS   3   2.839   1.168   2.273
   10   1HB   CYS   3          2HB       CYS   3   4.112   3.905   2.342
   11   2HB   CYS   3          1HB       CYS   3   3.366   3.151   0.937
   12    H    SER   4           H        SER   4   5.843   2.026   3.786
   13    HA   SER   4           HA       SER   4   7.565   1.400   1.627
   14   1HB   SER   4          2HB       SER   4   8.214   1.238   4.578
   15   2HB   SER   4          1HB       SER   4   9.334   1.526   3.245
   16    HG   SER   4           HG       SER   4   8.623   3.553   3.049
   17    H    ASN   5           H        ASN   5   5.986  -0.461   4.108
   18    HA   ASN   5           HA       ASN   5   7.500  -2.867   3.507
   19   1HB   ASN   5          2HB       ASN   5   5.346  -2.186   5.497
   20   2HB   ASN   5          1HB       ASN   5   5.816  -3.858   5.198
   21   1HD2  ASN   5          1HD2      ASN   5   6.478  -1.064   6.937
   22   2HD2  ASN   5          2HD2      ASN   5   7.998  -1.544   7.604
   23    HA   PRO   6           HA       PRO   6   4.764  -4.007   0.182
   24   1HB   PRO   6          2HB       PRO   6   5.797  -6.715   0.868
   25   2HB   PRO   6          1HB       PRO   6   5.749  -5.890  -0.694
   26   1HG   PRO   6          2HG       PRO   6   8.039  -6.120   0.633
   27   2HG   PRO   6          1HG       PRO   6   7.641  -4.623  -0.232
   28   1HD   PRO   6          2HD       PRO   6   7.530  -5.209   2.698
   29   2HD   PRO   6          1HD       PRO   6   8.036  -3.725   1.863
   30    H    VAL   7           H        VAL   7   4.922  -6.010   3.122
   31    HA   VAL   7           HA       VAL   7   2.417  -7.271   2.766
   32    HB   VAL   7           HB       VAL   7   3.657  -6.726   5.454
   33   1HG1  VAL   7          1HG1      VAL   7   1.856  -7.900   6.056
   34   2HG1  VAL   7          2HG1      VAL   7   2.721  -9.300   5.424
   35   3HG1  VAL   7          3HG1      VAL   7   1.552  -8.455   4.410
   36   1HG2  VAL   7          1HG2      VAL   7   4.962  -8.802   5.173
   37   2HG2  VAL   7          2HG2      VAL   7   5.452  -7.545   4.037
   38   3HG2  VAL   7          3HG2      VAL   7   4.442  -8.883   3.490
   39    H    CYS   8           H        CYS   8   3.426  -4.561   4.814
   40    HA   CYS   8           HA       CYS   8   0.906  -3.971   5.876
   41   1HB   CYS   8          2HB       CYS   8   3.276  -3.105   6.538
   42   2HB   CYS   8          1HB       CYS   8   2.948  -1.828   5.373
   43    H    HIS   9           H        HIS   9   2.537  -2.775   2.971
   44    HA   HIS   9           HA       HIS   9   0.623  -0.841   2.250
   45   1HB   HIS   9          2HB       HIS   9   2.969  -1.182   1.293
   46   2HB   HIS   9          1HB       HIS   9   2.257  -2.449   0.297
   47    HD1  HIS   9           1HD      HIS   9  -0.274  -1.178  -0.724
   48    HD2  HIS   9           2HD      HIS   9   3.296   0.923  -0.367
   49    HE1  HIS   9           1HE      HIS   9  -0.459   0.746  -2.332
   50    HE2  HIS   9           2HE      HIS   9   1.759   1.926  -2.192
   51    H    LEU  10           H        LEU  10   0.941  -4.261   1.384
   52    HA   LEU  10           HA       LEU  10  -1.289  -4.282  -0.387
   53   1HB   LEU  10          2HB       LEU  10   0.717  -5.906  -0.224
   54   2HB   LEU  10          1HB       LEU  10  -0.205  -6.700   1.035
   55    HG   LEU  10           HG       LEU  10  -0.361  -7.747  -1.244
   56   1HD1  LEU  10          1HD1      LEU  10  -2.028  -8.461   0.187
   57   2HD1  LEU  10          2HD1      LEU  10  -2.941  -7.833  -1.185
   58   3HD1  LEU  10          3HD1      LEU  10  -2.776  -6.867   0.281
   59   1HD2  LEU  10          1HD2      LEU  10  -0.412  -5.709  -2.568
   60   2HD2  LEU  10          2HD2      LEU  10  -1.968  -5.273  -1.861
   61   3HD2  LEU  10          3HD2      LEU  10  -1.835  -6.701  -2.888
   62    H    GLU  11           H        GLU  11  -0.859  -5.573   2.907
   63    HA   GLU  11           HA       GLU  11  -3.499  -6.418   3.308
   64   1HB   GLU  11          2HB       GLU  11  -1.653  -7.125   4.737
   65   2HB   GLU  11          1HB       GLU  11  -1.432  -5.478   5.304
   66   1HG   GLU  11          2HG       GLU  11  -3.905  -5.711   6.082
   67   2HG   GLU  11          1HG       GLU  11  -3.575  -7.440   5.964
   68    H    HIS  12           H        HIS  12  -1.901  -3.404   4.286
   69    HA   HIS  12           HA       HIS  12  -4.507  -2.252   4.956
   70   1HB   HIS  12          2HB       HIS  12  -1.783  -1.004   5.357
   71   2HB   HIS  12          1HB       HIS  12  -3.302  -0.515   6.093
   72    HD1  HIS  12           1HD      HIS  12  -4.250  -2.064   7.997
   73    HD2  HIS  12           2HD      HIS  12  -0.456  -3.092   6.650
   74    HE1  HIS  12           1HE      HIS  12  -3.354  -3.687   9.685
   75    HE2  HIS  12           2HE      HIS  12  -1.232  -4.542   8.639
   76    H    SER  13           H        SER  13  -4.300  -2.701   2.330
   77    HA   SER  13           HA       SER  13  -3.144  -0.740   0.723
   78   1HB   SER  13          2HB       SER  13  -5.231  -1.432  -0.784
   79   2HB   SER  13          1HB       SER  13  -3.879  -2.534  -0.513
   80    HG   SER  13           HG       SER  13  -5.152  -3.811   0.563
   81    H    ASN  14           H        ASN  14  -6.162  -0.799   2.472
   82    HA   ASN  14           HA       ASN  14  -7.378   1.465   1.330
   83   1HB   ASN  14          2HB       ASN  14  -8.648  -0.114   2.675
   84   2HB   ASN  14          1HB       ASN  14  -7.668   0.250   4.089
   85   1HD2  ASN  14          1HD2      ASN  14 -10.452   1.006   2.363
   86   2HD2  ASN  14          2HD2      ASN  14 -10.908   2.427   3.231
   87    H    LEU  15           H        LEU  15  -5.140   1.089   4.054
   88    HA   LEU  15           HA       LEU  15  -5.223   3.863   4.764
   89   1HB   LEU  15          2HB       LEU  15  -3.221   1.720   5.490
   90   2HB   LEU  15          1HB       LEU  15  -3.316   3.309   6.223
   91    HG   LEU  15           HG       LEU  15  -5.445   1.175   6.383
   92   1HD1  LEU  15          1HD1      LEU  15  -3.764   0.428   7.787
   93   2HD1  LEU  15          2HD1      LEU  15  -4.771   1.390   8.870
   94   3HD1  LEU  15          3HD1      LEU  15  -3.270   2.060   8.233
   95   1HD2  LEU  15          1HD2      LEU  15  -5.350   3.716   7.972
   96   2HD2  LEU  15          2HD2      LEU  15  -6.706   2.618   7.712
   97   3HD2  LEU  15          3HD2      LEU  15  -6.141   3.649   6.396
   98    H    CYS  16           H        CYS  16  -2.943   1.775   3.040
   99    HA   CYS  16           HA       CYS  16  -1.290   4.053   2.354
  100   1HB   CYS  16          2HB       CYS  16  -1.032   1.103   2.120
  101   2HB   CYS  16          1HB       CYS  16  -0.122   2.097   0.983
  102    H    GLY  17           H        GLY  17  -3.865   4.276   1.332
  103   1HA   GLY  17          2HA       GLY  17  -4.044   3.424  -1.378
  104   2HA   GLY  17          1HA       GLY  17  -5.003   4.693  -0.625
  105    H    GLY  18           H        GLY  18  -2.925   6.376   0.188
  106   1HA   GLY  18          2HA       GLY  18  -1.279   6.998  -2.104
  107   2HA   GLY  18          1HA       GLY  18  -2.592   8.137  -1.829
  108    H    ALA  19           H        ALA  19  -0.855   6.441   0.698
  109    HA   ALA  19           HA       ALA  19  -0.217   8.925   1.997
  110   1HB   ALA  19          1HB       ALA  19   1.089   7.058   3.464
  111   2HB   ALA  19          2HB       ALA  19  -0.161   6.073   2.702
  112   3HB   ALA  19          3HB       ALA  19  -0.611   7.474   3.674
  113    H    ALA  20           H        ALA  20   1.497   6.397   0.311
  114    HA   ALA  20           HA       ALA  20   3.567   6.206  -0.586
  115   1HB   ALA  20          1HB       ALA  20   3.218   9.181  -0.592
  116   2HB   ALA  20          2HB       ALA  20   3.160   8.048  -1.943
  117   3HB   ALA  20          3HB       ALA  20   4.702   8.432  -1.179
  118    H    GLY  21           H        GLY  21   3.331   6.138   2.310
  119   1HA   GLY  21          2HA       GLY  21   5.989   5.912   3.023
  120   2HA   GLY  21          1HA       GLY  21   5.519   7.546   3.466
  121    H    GLY  22           H        GLY  22   5.469   7.459   5.618
  122   1HA   GLY  22          2HA       GLY  22   4.682   7.011   7.722
  123   2HA   GLY  22          1HA       GLY  22   3.279   6.293   6.948
  Start of MODEL    6
    1   1H    GLY   1           H        GLY   1   4.398   5.467   7.285
    2   1HA   GLY   1          2HA       GLY   1   6.685   4.035   6.454
    3   2HA   GLY   1          1HA       GLY   1   5.895   3.875   8.016
    4    H    CYS   2           H        CYS   2   3.377   3.097   6.987
    5    HA   CYS   2           HA       CYS   2   3.628   0.306   6.886
    6   1HB   CYS   2          2HB       CYS   2   1.601   1.516   7.619
    7   2HB   CYS   2          1HB       CYS   2   1.341   2.073   5.977
    8    H    CYS   3           H        CYS   3   3.244   2.753   4.421
    9    HA   CYS   3           HA       CYS   3   2.835   1.084   2.209
   10   1HB   CYS   3          2HB       CYS   3   4.120   3.814   2.209
   11   2HB   CYS   3          1HB       CYS   3   3.271   3.037   0.874
   12    H    SER   4           H        SER   4   5.745   2.076   3.855
   13    HA   SER   4           HA       SER   4   7.602   1.454   1.825
   14   1HB   SER   4          2HB       SER   4   8.051   1.286   4.814
   15   2HB   SER   4          1HB       SER   4   9.266   1.561   3.565
   16    HG   SER   4           HG       SER   4   7.754   3.478   3.092
   17    H    ASN   5           H        ASN   5   5.926  -0.472   4.214
   18    HA   ASN   5           HA       ASN   5   7.508  -2.837   3.598
   19   1HB   ASN   5          2HB       ASN   5   5.235  -2.342   5.523
   20   2HB   ASN   5          1HB       ASN   5   5.907  -3.940   5.237
   21   1HD2  ASN   5          1HD2      ASN   5   8.399  -1.820   4.895
   22   2HD2  ASN   5          2HD2      ASN   5   9.020  -1.856   6.508
   23    HA   PRO   6           HA       PRO   6   4.859  -3.938   0.199
   24   1HB   PRO   6          2HB       PRO   6   5.537  -6.635   0.240
   25   2HB   PRO   6          1HB       PRO   6   6.406  -5.374  -0.634
   26   1HG   PRO   6          2HG       PRO   6   7.009  -6.606   2.015
   27   2HG   PRO   6          1HG       PRO   6   8.124  -6.094   0.735
   28   1HD   PRO   6          2HD       PRO   6   7.768  -4.626   2.950
   29   2HD   PRO   6          1HD       PRO   6   8.015  -3.862   1.365
   30    H    VAL   7           H        VAL   7   4.983  -6.047   3.063
   31    HA   VAL   7           HA       VAL   7   2.490  -7.307   2.635
   32    HB   VAL   7           HB       VAL   7   3.672  -6.829   5.360
   33   1HG1  VAL   7          1HG1      VAL   7   2.071  -8.208   6.012
   34   2HG1  VAL   7          2HG1      VAL   7   2.724  -9.470   4.967
   35   3HG1  VAL   7          3HG1      VAL   7   1.503  -8.357   4.349
   36   1HG2  VAL   7          1HG2      VAL   7   5.516  -7.976   4.876
   37   2HG2  VAL   7          2HG2      VAL   7   5.022  -8.039   3.184
   38   3HG2  VAL   7          3HG2      VAL   7   4.547  -9.329   4.291
   39    H    CYS   8           H        CYS   8   3.466  -4.630   4.727
   40    HA   CYS   8           HA       CYS   8   0.969  -4.071   5.834
   41   1HB   CYS   8          2HB       CYS   8   3.345  -3.166   6.426
   42   2HB   CYS   8          1HB       CYS   8   2.959  -1.899   5.265
   43    H    HIS   9           H        HIS   9   2.523  -2.790   2.912
   44    HA   HIS   9           HA       HIS   9   0.536  -0.914   2.255
   45   1HB   HIS   9          2HB       HIS   9   2.850  -1.112   1.234
   46   2HB   HIS   9          1HB       HIS   9   2.218  -2.445   0.270
   47    HD1  HIS   9           1HD      HIS   9  -0.353  -1.446  -0.836
   48    HD2  HIS   9           2HD      HIS   9   2.941   1.052  -0.365
   49    HE1  HIS   9           1HE      HIS   9  -0.708   0.450  -2.447
   50    HE2  HIS   9           2HE      HIS   9   1.203   2.031  -2.012
   51    H    LEU  10           H        LEU  10   0.949  -4.302   1.281
   52    HA   LEU  10           HA       LEU  10  -1.302  -4.370  -0.435
   53   1HB   LEU  10          2HB       LEU  10   0.552  -5.972  -0.567
   54   2HB   LEU  10          1HB       LEU  10   0.097  -6.632   0.993
   55    HG   LEU  10           HG       LEU  10  -2.074  -7.346   0.015
   56   1HD1  LEU  10          1HD1      LEU  10  -2.320  -5.786  -1.781
   57   2HD1  LEU  10          2HD1      LEU  10  -2.225  -7.408  -2.469
   58   3HD1  LEU  10          3HD1      LEU  10  -0.824  -6.338  -2.534
   59   1HD2  LEU  10          1HD2      LEU  10  -1.219  -9.312  -0.783
   60   2HD2  LEU  10          2HD2      LEU  10   0.208  -8.661   0.023
   61   3HD2  LEU  10          3HD2      LEU  10   0.038  -8.513  -1.726
   62    H    GLU  11           H        GLU  11  -0.849  -5.594   2.880
   63    HA   GLU  11           HA       GLU  11  -3.495  -6.484   3.246
   64   1HB   GLU  11          2HB       GLU  11  -1.648  -7.219   4.662
   65   2HB   GLU  11          1HB       GLU  11  -1.433  -5.583   5.267
   66   1HG   GLU  11          2HG       GLU  11  -3.913  -5.843   6.025
   67   2HG   GLU  11          1HG       GLU  11  -3.568  -7.567   5.881
   68    H    HIS  12           H        HIS  12  -1.891  -3.474   4.209
   69    HA   HIS  12           HA       HIS  12  -4.477  -2.331   4.966
   70   1HB   HIS  12          2HB       HIS  12  -1.716  -1.157   5.341
   71   2HB   HIS  12          1HB       HIS  12  -3.211  -0.599   6.080
   72    HD1  HIS  12           1HD      HIS  12  -4.280  -2.224   7.901
   73    HD2  HIS  12           2HD      HIS  12  -0.424  -3.199   6.691
   74    HE1  HIS  12           1HE      HIS  12  -3.435  -3.858   9.605
   75    HE2  HIS  12           2HE      HIS  12  -1.269  -4.686   8.624
   76    H    SER  13           H        SER  13  -4.418  -2.669   2.325
   77    HA   SER  13           HA       SER  13  -3.272  -0.636   0.777
   78   1HB   SER  13          2HB       SER  13  -5.714  -2.352   0.323
   79   2HB   SER  13          1HB       SER  13  -5.107  -1.214  -0.880
   80    HG   SER  13           HG       SER  13  -3.869  -3.543   0.147
   81    H    ASN  14           H        ASN  14  -6.092  -0.658   2.797
   82    HA   ASN  14           HA       ASN  14  -7.375   1.602   1.671
   83   1HB   ASN  14          2HB       ASN  14  -8.698   1.670   3.727
   84   2HB   ASN  14          1HB       ASN  14  -8.580   0.025   3.117
   85   1HD2  ASN  14          1HD2      ASN  14  -8.641   1.724   5.832
   86   2HD2  ASN  14          2HD2      ASN  14  -7.668   0.733   6.857
   87    H    LEU  15           H        LEU  15  -4.829   1.212   4.077
   88    HA   LEU  15           HA       LEU  15  -4.862   4.012   4.803
   89   1HB   LEU  15          2HB       LEU  15  -2.979   1.743   5.425
   90   2HB   LEU  15          1HB       LEU  15  -2.600   3.396   5.859
   91    HG   LEU  15           HG       LEU  15  -4.930   3.302   7.071
   92   1HD1  LEU  15          1HD1      LEU  15  -5.627   1.142   6.277
   93   2HD1  LEU  15          2HD1      LEU  15  -5.350   1.063   8.017
   94   3HD1  LEU  15          3HD1      LEU  15  -4.156   0.398   6.903
   95   1HD2  LEU  15          1HD2      LEU  15  -3.775   2.488   9.102
   96   2HD2  LEU  15          2HD2      LEU  15  -2.849   3.696   8.209
   97   3HD2  LEU  15          3HD2      LEU  15  -2.417   1.989   8.092
   98    H    CYS  16           H        CYS  16  -2.770   1.837   2.979
   99    HA   CYS  16           HA       CYS  16  -1.251   4.073   1.919
  100   1HB   CYS  16          2HB       CYS  16  -0.939   1.087   1.783
  101   2HB   CYS  16          1HB       CYS  16   0.039   2.164   0.790
  102    H    GLY  17           H        GLY  17  -3.813   4.224   1.142
  103   1HA   GLY  17          2HA       GLY  17  -3.561   4.063  -1.745
  104   2HA   GLY  17          1HA       GLY  17  -4.879   3.124  -1.046
  105    H    GLY  18           H        GLY  18  -3.585   6.185   0.049
  106   1HA   GLY  18          2HA       GLY  18  -5.516   7.881  -1.087
  107   2HA   GLY  18          1HA       GLY  18  -6.061   7.384   0.512
  108    H    ALA  19           H        ALA  19  -5.398   8.561   2.182
  109    HA   ALA  19           HA       ALA  19  -2.819   9.911   2.081
  110   1HB   ALA  19          1HB       ALA  19  -5.437  11.365   2.423
  111   2HB   ALA  19          2HB       ALA  19  -4.223  11.612   1.168
  112   3HB   ALA  19          3HB       ALA  19  -3.869  12.058   2.837
  113    H    ALA  20           H        ALA  20  -3.257   7.761   3.588
  114    HA   ALA  20           HA       ALA  20  -3.093   8.824   6.279
  115   1HB   ALA  20          1HB       ALA  20  -5.534   7.785   5.390
  116   2HB   ALA  20          2HB       ALA  20  -5.062   8.134   7.053
  117   3HB   ALA  20          3HB       ALA  20  -4.818   6.519   6.389
  118    H    GLY  21           H        GLY  21  -1.053   7.819   4.806
  119   1HA   GLY  21          2HA       GLY  21  -0.134   5.679   6.439
  120   2HA   GLY  21          1HA       GLY  21  -0.560   5.102   4.834
  121    H    GLY  22           H        GLY  22   2.049   5.263   6.200
  122   1HA   GLY  22          2HA       GLY  22   3.497   6.485   3.991
  123   2HA   GLY  22          1HA       GLY  22   3.822   7.151   5.586
  Start of MODEL    7
    1   1H    GLY   1           H        GLY   1   4.397   5.949   4.930
    2   1HA   GLY   1          2HA       GLY   1   6.557   5.266   5.403
    3   2HA   GLY   1          1HA       GLY   1   6.160   5.300   7.112
    4    H    CYS   2           H        CYS   2   4.142   3.531   7.282
    5    HA   CYS   2           HA       CYS   2   5.416   1.025   7.363
    6   1HB   CYS   2          2HB       CYS   2   3.458   1.763   8.746
    7   2HB   CYS   2          1HB       CYS   2   2.444   1.607   7.324
    8    H    CYS   3           H        CYS   3   3.381   2.579   5.023
    9    HA   CYS   3           HA       CYS   3   2.704   0.429   3.398
   10   1HB   CYS   3          2HB       CYS   3   3.174   3.301   2.603
   11   2HB   CYS   3          1HB       CYS   3   2.303   2.099   1.650
   12    H    SER   4           H        SER   4   5.782   1.901   3.818
   13    HA   SER   4           HA       SER   4   6.907   1.341   1.284
   14   1HB   SER   4          2HB       SER   4   8.262   1.493   3.992
   15   2HB   SER   4          1HB       SER   4   9.078   1.561   2.430
   16    HG   SER   4           HG       SER   4   8.587   3.594   2.316
   17    H    ASN   5           H        ASN   5   5.986  -0.607   3.951
   18    HA   ASN   5           HA       ASN   5   7.642  -2.876   3.156
   19   1HB   ASN   5          2HB       ASN   5   5.527  -2.570   5.303
   20   2HB   ASN   5          1HB       ASN   5   6.403  -4.061   4.994
   21   1HD2  ASN   5          1HD2      ASN   5   8.542  -1.636   4.396
   22   2HD2  ASN   5          2HD2      ASN   5   9.284  -1.528   5.953
   23    HA   PRO   6           HA       PRO   6   4.766  -4.295   0.106
   24   1HB   PRO   6          2HB       PRO   6   5.362  -7.011   0.434
   25   2HB   PRO   6          1HB       PRO   6   6.165  -5.892  -0.669
   26   1HG   PRO   6          2HG       PRO   6   7.004  -6.814   2.038
   27   2HG   PRO   6          1HG       PRO   6   7.996  -6.452   0.615
   28   1HD   PRO   6          2HD       PRO   6   7.851  -4.752   2.678
   29   2HD   PRO   6          1HD       PRO   6   7.937  -4.161   1.004
   30    H    VAL   7           H        VAL   7   4.928  -6.062   3.191
   31    HA   VAL   7           HA       VAL   7   2.391  -7.288   2.972
   32    HB   VAL   7           HB       VAL   7   3.715  -6.553   5.574
   33   1HG1  VAL   7          1HG1      VAL   7   2.005  -8.919   4.819
   34   2HG1  VAL   7          2HG1      VAL   7   1.437  -7.481   5.667
   35   3HG1  VAL   7          3HG1      VAL   7   2.630  -8.537   6.425
   36   1HG2  VAL   7          1HG2      VAL   7   5.244  -8.256   5.418
   37   2HG2  VAL   7          2HG2      VAL   7   5.176  -7.748   3.732
   38   3HG2  VAL   7          3HG2      VAL   7   4.276  -9.168   4.259
   39    H    CYS   8           H        CYS   8   3.476  -4.413   4.733
   40    HA   CYS   8           HA       CYS   8   0.980  -3.711   5.790
   41   1HB   CYS   8          2HB       CYS   8   3.264  -2.838   6.478
   42   2HB   CYS   8          1HB       CYS   8   3.160  -1.752   5.097
   43    H    HIS   9           H        HIS   9   2.607  -2.651   2.808
   44    HA   HIS   9           HA       HIS   9   0.677  -0.761   2.021
   45   1HB   HIS   9          2HB       HIS   9   3.039  -1.271   1.045
   46   2HB   HIS   9          1HB       HIS   9   2.178  -2.419   0.023
   47    HD1  HIS   9           1HD      HIS   9  -0.198  -0.952  -0.979
   48    HD2  HIS   9           2HD      HIS   9   3.453   0.958  -0.400
   49    HE1  HIS   9           1HE      HIS   9  -0.260   1.096  -2.445
   50    HE2  HIS   9           2HE      HIS   9   1.887   2.316  -1.951
   51    H    LEU  10           H        LEU  10   0.976  -4.207   1.324
   52    HA   LEU  10           HA       LEU  10  -1.266  -4.309  -0.422
   53   1HB   LEU  10          2HB       LEU  10   0.571  -5.928  -0.511
   54   2HB   LEU  10          1HB       LEU  10   0.128  -6.526   1.075
   55    HG   LEU  10           HG       LEU  10  -2.057  -7.263   0.143
   56   1HD1  LEU  10          1HD1      LEU  10  -2.622  -7.089  -2.074
   57   2HD1  LEU  10          2HD1      LEU  10  -0.947  -6.915  -2.601
   58   3HD1  LEU  10          3HD1      LEU  10  -1.772  -5.564  -1.823
   59   1HD2  LEU  10          1HD2      LEU  10   0.246  -8.419  -1.407
   60   2HD2  LEU  10          2HD2      LEU  10  -1.215  -9.236  -0.851
   61   3HD2  LEU  10          3HD2      LEU  10   0.001  -8.714   0.315
   62    H    GLU  11           H        GLU  11  -0.847  -5.464   2.935
   63    HA   GLU  11           HA       GLU  11  -3.526  -6.279   3.243
   64   1HB   GLU  11          2HB       GLU  11  -1.685  -7.079   4.660
   65   2HB   GLU  11          1HB       GLU  11  -1.527  -5.476   5.362
   66   1HG   GLU  11          2HG       GLU  11  -4.236  -6.396   5.586
   67   2HG   GLU  11          1HG       GLU  11  -3.118  -7.583   6.261
   68    H    HIS  12           H        HIS  12  -1.868  -3.308   4.274
   69    HA   HIS  12           HA       HIS  12  -4.445  -2.126   4.996
   70   1HB   HIS  12          2HB       HIS  12  -1.697  -0.872   5.171
   71   2HB   HIS  12          1HB       HIS  12  -3.174  -0.269   5.898
   72    HD1  HIS  12           1HD      HIS  12  -4.063  -1.534   8.006
   73    HD2  HIS  12           2HD      HIS  12  -0.397  -2.889   6.606
   74    HE1  HIS  12           1HE      HIS  12  -3.127  -2.952   9.849
   75    HE2  HIS  12           2HE      HIS  12  -1.126  -4.045   8.795
   76    H    SER  13           H        SER  13  -4.258  -2.729   2.336
   77    HA   SER  13           HA       SER  13  -3.231  -0.808   0.625
   78   1HB   SER  13          2HB       SER  13  -5.381  -1.611  -0.764
   79   2HB   SER  13          1HB       SER  13  -3.963  -2.637  -0.539
   80    HG   SER  13           HG       SER  13  -5.082  -3.921   0.708
   81    H    ASN  14           H        ASN  14  -6.266  -0.869   2.379
   82    HA   ASN  14           HA       ASN  14  -7.435   1.401   1.164
   83   1HB   ASN  14          2HB       ASN  14  -7.931   0.099   3.848
   84   2HB   ASN  14          1HB       ASN  14  -8.912   1.411   3.201
   85   1HD2  ASN  14          1HD2      ASN  14  -8.796  -1.821   3.566
   86   2HD2  ASN  14          2HD2      ASN  14  -9.784  -2.310   2.237
   87    H    LEU  15           H        LEU  15  -5.179   1.003   3.819
   88    HA   LEU  15           HA       LEU  15  -5.435   3.776   4.640
   89   1HB   LEU  15          2HB       LEU  15  -3.572   1.565   5.521
   90   2HB   LEU  15          1HB       LEU  15  -3.502   3.196   6.155
   91    HG   LEU  15           HG       LEU  15  -4.650   1.888   7.756
   92   1HD1  LEU  15          1HD1      LEU  15  -5.832   4.082   6.533
   93   2HD1  LEU  15          2HD1      LEU  15  -6.183   3.434   8.135
   94   3HD1  LEU  15          3HD1      LEU  15  -7.140   2.918   6.746
   95   1HD2  LEU  15          1HD2      LEU  15  -6.954   0.870   6.796
   96   2HD2  LEU  15          2HD2      LEU  15  -5.460  -0.051   6.960
   97   3HD2  LEU  15          3HD2      LEU  15  -5.900   0.645   5.401
   98    H    CYS  16           H        CYS  16  -3.380   1.760   2.728
   99    HA   CYS  16           HA       CYS  16  -1.347   3.775   2.374
  100   1HB   CYS  16          2HB       CYS  16  -1.695   0.981   1.300
  101   2HB   CYS  16          1HB       CYS  16  -0.342   2.022   0.863
  102    H    GLY  17           H        GLY  17  -3.702   4.782   1.520
  103   1HA   GLY  17          2HA       GLY  17  -4.101   4.430  -1.304
  104   2HA   GLY  17          1HA       GLY  17  -4.826   5.675  -0.298
  105    H    GLY  18           H        GLY  18  -1.538   4.789  -1.300
  106   1HA   GLY  18          2HA       GLY  18  -1.097   7.107  -2.856
  107   2HA   GLY  18          1HA       GLY  18  -0.442   7.343  -1.239
  108    H    ALA  19           H        ALA  19   1.697   7.415  -2.074
  109    HA   ALA  19           HA       ALA  19   2.699   5.017  -3.373
  110   1HB   ALA  19          1HB       ALA  19   4.699   6.260  -3.792
  111   2HB   ALA  19          2HB       ALA  19   4.213   7.519  -2.658
  112   3HB   ALA  19          3HB       ALA  19   3.326   7.301  -4.166
  113    H    ALA  20           H        ALA  20   4.223   7.024  -0.934
  114    HA   ALA  20           HA       ALA  20   5.346   4.716   0.366
  115   1HB   ALA  20          1HB       ALA  20   6.327   6.494   1.916
  116   2HB   ALA  20          2HB       ALA  20   5.632   7.666   0.796
  117   3HB   ALA  20          3HB       ALA  20   6.839   6.515   0.228
  118    H    GLY  21           H        GLY  21   2.623   6.636   0.706
  119   1HA   GLY  21          2HA       GLY  21   0.890   6.701   2.209
  120   2HA   GLY  21          1HA       GLY  21   1.396   5.082   2.665
  121    H    GLY  22           H        GLY  22   1.376   5.063   4.819
  122   1HA   GLY  22          2HA       GLY  22   2.415   7.371   6.289
  123   2HA   GLY  22          1HA       GLY  22   1.497   6.034   6.970
  Start of MODEL    8
    1   1H    GLY   1           H        GLY   1   4.625   4.630   6.369
    2   1HA   GLY   1          2HA       GLY   1   7.218   3.650   6.395
    3   2HA   GLY   1          1HA       GLY   1   6.579   3.390   8.010
    4    H    CYS   2           H        CYS   2   3.891   2.945   7.208
    5    HA   CYS   2           HA       CYS   2   3.850   0.189   6.874
    6   1HB   CYS   2          2HB       CYS   2   1.968   1.489   7.770
    7   2HB   CYS   2          1HB       CYS   2   1.693   2.196   6.187
    8    H    CYS   3           H        CYS   3   3.370   2.743   4.488
    9    HA   CYS   3           HA       CYS   3   2.801   1.114   2.290
   10   1HB   CYS   3          2HB       CYS   3   4.129   3.828   2.279
   11   2HB   CYS   3          1HB       CYS   3   3.303   3.066   0.922
   12    H    SER   4           H        SER   4   5.846   2.046   3.720
   13    HA   SER   4           HA       SER   4   7.529   1.355   1.563
   14   1HB   SER   4          2HB       SER   4   8.258   1.230   4.492
   15   2HB   SER   4          1HB       SER   4   9.319   1.574   3.123
   16    HG   SER   4           HG       SER   4   8.846   3.588   3.441
   17    H    ASN   5           H        ASN   5   5.977  -0.481   4.085
   18    HA   ASN   5           HA       ASN   5   7.521  -2.876   3.487
   19   1HB   ASN   5          2HB       ASN   5   5.312  -2.304   5.468
   20   2HB   ASN   5          1HB       ASN   5   5.966  -3.916   5.213
   21   1HD2  ASN   5          1HD2      ASN   5   8.470  -1.851   4.720
   22   2HD2  ASN   5          2HD2      ASN   5   9.138  -1.830   6.314
   23    HA   PRO   6           HA       PRO   6   4.770  -4.026   0.182
   24   1HB   PRO   6          2HB       PRO   6   5.803  -6.735   0.863
   25   2HB   PRO   6          1HB       PRO   6   5.750  -5.908  -0.699
   26   1HG   PRO   6          2HG       PRO   6   8.044  -6.147   0.630
   27   2HG   PRO   6          1HG       PRO   6   7.652  -4.658  -0.252
   28   1HD   PRO   6          2HD       PRO   6   7.564  -5.205   2.684
   29   2HD   PRO   6          1HD       PRO   6   8.045  -3.727   1.825
   30    H    VAL   7           H        VAL   7   4.949  -6.040   3.111
   31    HA   VAL   7           HA       VAL   7   2.444  -7.303   2.774
   32    HB   VAL   7           HB       VAL   7   3.658  -6.747   5.467
   33   1HG1  VAL   7          1HG1      VAL   7   1.440  -7.860   5.280
   34   2HG1  VAL   7          2HG1      VAL   7   2.665  -8.829   6.099
   35   3HG1  VAL   7          3HG1      VAL   7   2.229  -9.188   4.430
   36   1HG2  VAL   7          1HG2      VAL   7   4.483  -9.195   3.998
   37   2HG2  VAL   7          2HG2      VAL   7   5.350  -8.257   5.213
   38   3HG2  VAL   7          3HG2      VAL   7   5.259  -7.676   3.550
   39    H    CYS   8           H        CYS   8   3.464  -4.603   4.824
   40    HA   CYS   8           HA       CYS   8   0.958  -4.019   5.904
   41   1HB   CYS   8          2HB       CYS   8   3.306  -3.165   6.587
   42   2HB   CYS   8          1HB       CYS   8   3.023  -1.894   5.403
   43    H    HIS   9           H        HIS   9   2.547  -2.762   2.982
   44    HA   HIS   9           HA       HIS   9   0.578  -0.850   2.351
   45   1HB   HIS   9          2HB       HIS   9   2.882  -1.051   1.311
   46   2HB   HIS   9          1HB       HIS   9   2.233  -2.369   0.336
   47    HD1  HIS   9           1HD      HIS   9  -0.295  -1.394  -0.798
   48    HD2  HIS   9           2HD      HIS   9   2.908   1.187  -0.190
   49    HE1  HIS   9           1HE      HIS   9  -0.691   0.547  -2.344
   50    HE2  HIS   9           2HE      HIS   9   1.146   2.180  -1.804
   51    H    LEU  10           H        LEU  10   0.955  -4.234   1.330
   52    HA   LEU  10           HA       LEU  10  -1.333  -4.243  -0.349
   53   1HB   LEU  10          2HB       LEU  10   0.506  -5.859  -0.561
   54   2HB   LEU  10          1HB       LEU  10   0.078  -6.550   0.992
   55    HG   LEU  10           HG       LEU  10  -2.120  -7.223   0.049
   56   1HD1  LEU  10          1HD1      LEU  10  -2.281  -7.241  -2.458
   57   2HD1  LEU  10          2HD1      LEU  10  -0.922  -6.117  -2.480
   58   3HD1  LEU  10          3HD1      LEU  10  -2.437  -5.655  -1.704
   59   1HD2  LEU  10          1HD2      LEU  10   0.419  -8.213  -1.216
   60   2HD2  LEU  10          2HD2      LEU  10  -1.143  -8.975  -1.513
   61   3HD2  LEU  10          3HD2      LEU  10  -0.489  -8.915   0.123
   62    H    GLU  11           H        GLU  11  -0.806  -5.548   2.918
   63    HA   GLU  11           HA       GLU  11  -3.422  -6.456   3.361
   64   1HB   GLU  11          2HB       GLU  11  -1.503  -7.138   4.720
   65   2HB   GLU  11          1HB       GLU  11  -1.337  -5.502   5.335
   66   1HG   GLU  11          2HG       GLU  11  -3.560  -5.709   6.385
   67   2HG   GLU  11          1HG       GLU  11  -3.629  -7.385   5.835
   68    H    HIS  12           H        HIS  12  -1.896  -3.339   3.983
   69    HA   HIS  12           HA       HIS  12  -4.511  -2.274   4.813
   70   1HB   HIS  12          2HB       HIS  12  -1.794  -1.029   5.270
   71   2HB   HIS  12          1HB       HIS  12  -3.325  -0.520   5.970
   72    HD1  HIS  12           1HD      HIS  12  -4.355  -2.085   7.815
   73    HD2  HIS  12           2HD      HIS  12  -0.522  -3.130   6.593
   74    HE1  HIS  12           1HE      HIS  12  -3.543  -3.751   9.503
   75    HE2  HIS  12           2HE      HIS  12  -1.394  -4.619   8.512
   76    H    SER  13           H        SER  13  -4.270  -2.642   2.143
   77    HA   SER  13           HA       SER  13  -3.141  -0.546   0.665
   78   1HB   SER  13          2HB       SER  13  -5.519  -2.316   0.057
   79   2HB   SER  13          1HB       SER  13  -4.808  -1.199  -1.108
   80    HG   SER  13           HG       SER  13  -3.691  -3.527   0.039
   81    H    ASN  14           H        ASN  14  -6.088  -0.788   2.466
   82    HA   ASN  14           HA       ASN  14  -7.452   1.434   1.392
   83   1HB   ASN  14          2HB       ASN  14  -8.536   1.389   3.791
   84   2HB   ASN  14          1HB       ASN  14  -8.868   0.104   2.636
   85   1HD2  ASN  14          1HD2      ASN  14  -8.993  -1.746   3.660
   86   2HD2  ASN  14          2HD2      ASN  14  -7.938  -2.298   4.912
   87    H    LEU  15           H        LEU  15  -5.111   1.103   4.022
   88    HA   LEU  15           HA       LEU  15  -5.304   3.890   4.744
   89   1HB   LEU  15          2HB       LEU  15  -3.282   1.789   5.541
   90   2HB   LEU  15          1HB       LEU  15  -3.421   3.385   6.255
   91    HG   LEU  15           HG       LEU  15  -5.524   1.220   6.393
   92   1HD1  LEU  15          1HD1      LEU  15  -4.436   2.096   8.904
   93   2HD1  LEU  15          2HD1      LEU  15  -3.155   1.503   7.847
   94   3HD1  LEU  15          3HD1      LEU  15  -4.531   0.470   8.229
   95   1HD2  LEU  15          1HD2      LEU  15  -5.796   3.994   6.651
   96   2HD2  LEU  15          2HD2      LEU  15  -5.782   3.360   8.297
   97   3HD2  LEU  15          3HD2      LEU  15  -6.955   2.752   7.128
   98    H    CYS  16           H        CYS  16  -2.949   1.802   3.128
   99    HA   CYS  16           HA       CYS  16  -1.293   4.069   2.429
  100   1HB   CYS  16          2HB       CYS  16  -1.032   1.120   2.273
  101   2HB   CYS  16          1HB       CYS  16  -0.121   2.070   1.104
  102    H    GLY  17           H        GLY  17  -3.831   4.300   1.338
  103   1HA   GLY  17          2HA       GLY  17  -3.962   3.386  -1.352
  104   2HA   GLY  17          1HA       GLY  17  -4.906   4.701  -0.661
  105    H    GLY  18           H        GLY  18  -2.978   6.455   0.115
  106   1HA   GLY  18          2HA       GLY  18  -0.867   6.987  -1.577
  107   2HA   GLY  18          1HA       GLY  18  -2.277   7.692  -2.352
  108    H    ALA  19           H        ALA  19  -1.708   7.493   1.133
  109    HA   ALA  19           HA       ALA  19  -0.762  10.169   1.391
  110   1HB   ALA  19          1HB       ALA  19  -2.658  11.323   1.445
  111   2HB   ALA  19          2HB       ALA  19  -3.212  10.343   2.804
  112   3HB   ALA  19          3HB       ALA  19  -3.580   9.848   1.151
  113    H    ALA  20           H        ALA  20   0.213   7.803   2.385
  114    HA   ALA  20           HA       ALA  20   0.249   8.356   5.206
  115   1HB   ALA  20          1HB       ALA  20  -0.362   5.956   5.798
  116   2HB   ALA  20          2HB       ALA  20  -1.051   5.846   4.179
  117   3HB   ALA  20          3HB       ALA  20  -1.687   7.021   5.329
  118    H    GLY  21           H        GLY  21   2.227   8.469   3.272
  119   1HA   GLY  21          2HA       GLY  21   3.801   6.072   3.225
  120   2HA   GLY  21          1HA       GLY  21   4.301   7.659   2.666
  121    H    GLY  22           H        GLY  22   3.257   6.573   5.885
  122   1HA   GLY  22          2HA       GLY  22   5.488   7.943   7.106
  123   2HA   GLY  22          1HA       GLY  22   4.224   7.050   7.940
  Start of MODEL    9
    1   1H    GLY   1           H        GLY   1   6.251   5.019   5.874
    2   1HA   GLY   1          2HA       GLY   1   7.545   3.231   6.611
    3   2HA   GLY   1          1HA       GLY   1   6.664   3.241   8.126
    4    H    CYS   2           H        CYS   2   4.098   2.885   7.325
    5    HA   CYS   2           HA       CYS   2   3.918   0.124   6.956
    6   1HB   CYS   2          2HB       CYS   2   2.115   1.449   7.951
    7   2HB   CYS   2          1HB       CYS   2   1.824   2.238   6.409
    8    H    CYS   3           H        CYS   3   3.391   2.742   4.644
    9    HA   CYS   3           HA       CYS   3   2.747   1.144   2.436
   10   1HB   CYS   3          2HB       CYS   3   4.061   3.862   2.393
   11   2HB   CYS   3          1HB       CYS   3   3.132   3.120   1.095
   12    H    SER   4           H        SER   4   5.823   2.022   3.810
   13    HA   SER   4           HA       SER   4   7.446   1.424   1.574
   14   1HB   SER   4          2HB       SER   4   8.237   1.242   4.487
   15   2HB   SER   4          1HB       SER   4   9.286   1.567   3.106
   16    HG   SER   4           HG       SER   4   8.718   3.594   3.155
   17    H    ASN   5           H        ASN   5   5.994  -0.484   4.094
   18    HA   ASN   5           HA       ASN   5   7.518  -2.861   3.406
   19   1HB   ASN   5          2HB       ASN   5   5.392  -2.270   5.462
   20   2HB   ASN   5          1HB       ASN   5   5.944  -3.911   5.143
   21   1HD2  ASN   5          1HD2      ASN   5   6.442  -1.174   6.965
   22   2HD2  ASN   5          2HD2      ASN   5   8.018  -1.540   7.565
   23    HA   PRO   6           HA       PRO   6   4.710  -3.993   0.156
   24   1HB   PRO   6          2HB       PRO   6   5.355  -6.704   0.246
   25   2HB   PRO   6          1HB       PRO   6   6.186  -5.477  -0.713
   26   1HG   PRO   6          2HG       PRO   6   6.925  -6.636   1.935
   27   2HG   PRO   6          1HG       PRO   6   7.969  -6.163   0.582
   28   1HD   PRO   6          2HD       PRO   6   7.742  -4.634   2.770
   29   2HD   PRO   6          1HD       PRO   6   7.898  -3.913   1.153
   30    H    VAL   7           H        VAL   7   4.909  -6.006   3.082
   31    HA   VAL   7           HA       VAL   7   2.398  -7.263   2.764
   32    HB   VAL   7           HB       VAL   7   3.679  -6.710   5.432
   33   1HG1  VAL   7          1HG1      VAL   7   2.661  -9.344   5.158
   34   2HG1  VAL   7          2HG1      VAL   7   1.437  -8.217   4.568
   35   3HG1  VAL   7          3HG1      VAL   7   2.086  -8.042   6.199
   36   1HG2  VAL   7          1HG2      VAL   7   5.203  -8.460   5.181
   37   2HG2  VAL   7          2HG2      VAL   7   5.290  -7.619   3.633
   38   3HG2  VAL   7          3HG2      VAL   7   4.366  -9.116   3.774
   39    H    CYS   8           H        CYS   8   3.434  -4.556   4.797
   40    HA   CYS   8           HA       CYS   8   0.925  -3.958   5.880
   41   1HB   CYS   8          2HB       CYS   8   3.316  -3.128   6.525
   42   2HB   CYS   8          1HB       CYS   8   2.979  -1.825   5.391
   43    H    HIS   9           H        HIS   9   2.549  -2.749   2.972
   44    HA   HIS   9           HA       HIS   9   0.633  -0.799   2.278
   45   1HB   HIS   9          2HB       HIS   9   2.963  -1.073   1.309
   46   2HB   HIS   9          1HB       HIS   9   2.311  -2.394   0.341
   47    HD1  HIS   9           1HD      HIS   9  -0.120  -1.390  -0.935
   48    HD2  HIS   9           2HD      HIS   9   3.096   1.143  -0.213
   49    HE1  HIS   9           1HE      HIS   9  -0.392   0.520  -2.545
   50    HE2  HIS   9           2HE      HIS   9   1.445   2.137  -1.943
   51    H    LEU  10           H        LEU  10   0.957  -4.210   1.359
   52    HA   LEU  10           HA       LEU  10  -1.286  -4.205  -0.393
   53   1HB   LEU  10          2HB       LEU  10   0.550  -5.828  -0.560
   54   2HB   LEU  10          1HB       LEU  10   0.082  -6.516   0.984
   55    HG   LEU  10           HG       LEU  10  -2.096  -7.181  -0.009
   56   1HD1  LEU  10          1HD1      LEU  10  -0.941  -5.759  -2.336
   57   2HD1  LEU  10          2HD1      LEU  10  -2.615  -5.891  -1.801
   58   3HD1  LEU  10          3HD1      LEU  10  -1.855  -7.233  -2.657
   59   1HD2  LEU  10          1HD2      LEU  10  -0.474  -8.557  -1.898
   60   2HD2  LEU  10          2HD2      LEU  10  -1.092  -9.128  -0.349
   61   3HD2  LEU  10          3HD2      LEU  10   0.467  -8.307  -0.428
   62    H    GLU  11           H        GLU  11  -0.846  -5.518   2.892
   63    HA   GLU  11           HA       GLU  11  -3.487  -6.398   3.257
   64   1HB   GLU  11          2HB       GLU  11  -1.660  -7.139   4.682
   65   2HB   GLU  11          1HB       GLU  11  -1.420  -5.503   5.273
   66   1HG   GLU  11          2HG       GLU  11  -3.909  -5.736   6.036
   67   2HG   GLU  11          1HG       GLU  11  -3.563  -7.461   5.923
   68    H    HIS  12           H        HIS  12  -1.901  -3.399   4.294
   69    HA   HIS  12           HA       HIS  12  -4.505  -2.266   4.994
   70   1HB   HIS  12          2HB       HIS  12  -1.781  -1.011   5.370
   71   2HB   HIS  12          1HB       HIS  12  -3.291  -0.522   6.122
   72    HD1  HIS  12           1HD      HIS  12  -4.237  -2.116   8.007
   73    HD2  HIS  12           2HD      HIS  12  -0.422  -3.072   6.664
   74    HE1  HIS  12           1HE      HIS  12  -3.321  -3.738   9.684
   75    HE2  HIS  12           2HE      HIS  12  -1.186  -4.554   8.633
   76    H    SER  13           H        SER  13  -4.299  -2.704   2.355
   77    HA   SER  13           HA       SER  13  -3.178  -0.723   0.754
   78   1HB   SER  13          2HB       SER  13  -5.319  -1.452  -0.709
   79   2HB   SER  13          1HB       SER  13  -3.890  -2.470  -0.532
   80    HG   SER  13           HG       SER  13  -5.010  -3.844   0.605
   81    H    ASN  14           H        ASN  14  -6.191  -0.800   2.519
   82    HA   ASN  14           HA       ASN  14  -7.435   1.439   1.353
   83   1HB   ASN  14          2HB       ASN  14  -8.616  -0.193   2.788
   84   2HB   ASN  14          1HB       ASN  14  -7.710   0.388   4.182
   85   1HD2  ASN  14          1HD2      ASN  14  -8.761   1.774   5.403
   86   2HD2  ASN  14          2HD2      ASN  14  -9.999   2.858   4.885
   87    H    LEU  15           H        LEU  15  -5.041   1.118   3.914
   88    HA   LEU  15           HA       LEU  15  -5.198   3.929   4.601
   89   1HB   LEU  15          2HB       LEU  15  -3.376   1.710   5.527
   90   2HB   LEU  15          1HB       LEU  15  -3.220   3.367   6.071
   91    HG   LEU  15           HG       LEU  15  -4.368   2.236   7.784
   92   1HD1  LEU  15          1HD1      LEU  15  -5.316   4.418   7.204
   93   2HD1  LEU  15          2HD1      LEU  15  -6.525   3.324   7.876
   94   3HD1  LEU  15          3HD1      LEU  15  -6.475   3.622   6.140
   95   1HD2  LEU  15          1HD2      LEU  15  -6.743   1.231   6.718
   96   2HD2  LEU  15          2HD2      LEU  15  -5.376   0.310   7.345
   97   3HD2  LEU  15          3HD2      LEU  15  -5.471   0.685   5.624
   98    H    CYS  16           H        CYS  16  -2.972   1.737   2.974
   99    HA   CYS  16           HA       CYS  16  -1.295   3.993   2.194
  100   1HB   CYS  16          2HB       CYS  16  -0.895   1.030   2.254
  101   2HB   CYS  16          1HB       CYS  16   0.104   2.022   1.196
  102    H    GLY  17           H        GLY  17  -3.635   4.225   0.987
  103   1HA   GLY  17          2HA       GLY  17  -3.785   2.898  -1.552
  104   2HA   GLY  17          1HA       GLY  17  -4.745   4.277  -1.039
  105    H    GLY  18           H        GLY  18  -1.252   3.825  -1.434
  106   1HA   GLY  18          2HA       GLY  18  -0.812   5.102  -3.816
  107   2HA   GLY  18          1HA       GLY  18  -0.923   6.399  -2.632
  108    H    ALA  19           H        ALA  19   1.115   7.074  -2.367
  109    HA   ALA  19           HA       ALA  19   3.020   5.209  -1.206
  110   1HB   ALA  19          1HB       ALA  19   3.178   5.941  -3.937
  111   2HB   ALA  19          2HB       ALA  19   4.334   5.007  -2.987
  112   3HB   ALA  19          3HB       ALA  19   4.491   6.760  -3.091
  113    H    ALA  20           H        ALA  20   1.662   7.168   0.095
  114    HA   ALA  20           HA       ALA  20   3.820   8.978   0.850
  115   1HB   ALA  20          1HB       ALA  20   1.626  10.642   1.010
  116   2HB   ALA  20          2HB       ALA  20   1.387   9.807  -0.524
  117   3HB   ALA  20          3HB       ALA  20   2.879  10.700  -0.229
  118    H    GLY  21           H        GLY  21   3.111   6.786   2.218
  119   1HA   GLY  21          2HA       GLY  21   1.231   7.578   4.311
  120   2HA   GLY  21          1HA       GLY  21   1.897   5.970   4.076
  121    H    GLY  22           H        GLY  22   3.073   5.418   5.777
  122   1HA   GLY  22          2HA       GLY  22   5.302   7.038   6.587
  123   2HA   GLY  22          1HA       GLY  22   4.027   6.954   7.794
  Start of MODEL   10
    1   1H    GLY   1           H        GLY   1   4.663   5.990   4.685
    2   1HA   GLY   1          2HA       GLY   1   6.721   5.203   5.366
    3   2HA   GLY   1          1HA       GLY   1   6.182   5.328   7.026
    4    H    CYS   2           H        CYS   2   4.147   3.620   7.207
    5    HA   CYS   2           HA       CYS   2   5.395   1.093   7.371
    6   1HB   CYS   2          2HB       CYS   2   3.430   1.838   8.734
    7   2HB   CYS   2          1HB       CYS   2   2.424   1.670   7.306
    8    H    CYS   3           H        CYS   3   3.378   2.583   5.003
    9    HA   CYS   3           HA       CYS   3   2.748   0.377   3.426
   10   1HB   CYS   3          2HB       CYS   3   3.040   3.274   2.663
   11   2HB   CYS   3          1HB       CYS   3   2.232   2.038   1.693
   12    H    SER   4           H        SER   4   5.787   1.821   3.875
   13    HA   SER   4           HA       SER   4   6.888   1.380   1.292
   14   1HB   SER   4          2HB       SER   4   8.281   1.452   3.987
   15   2HB   SER   4          1HB       SER   4   9.067   1.594   2.414
   16    HG   SER   4           HG       SER   4   8.647   3.638   2.516
   17    H    ASN   5           H        ASN   5   6.030  -0.590   3.957
   18    HA   ASN   5           HA       ASN   5   7.635  -2.872   3.112
   19   1HB   ASN   5          2HB       ASN   5   5.533  -2.581   5.276
   20   2HB   ASN   5          1HB       ASN   5   6.470  -4.043   4.980
   21   1HD2  ASN   5          1HD2      ASN   5   6.271  -1.326   6.818
   22   2HD2  ASN   5          2HD2      ASN   5   7.908  -1.232   7.360
   23    HA   PRO   6           HA       PRO   6   4.671  -4.217   0.090
   24   1HB   PRO   6          2HB       PRO   6   5.696  -6.896   0.905
   25   2HB   PRO   6          1HB       PRO   6   5.533  -6.195  -0.711
   26   1HG   PRO   6          2HG       PRO   6   7.918  -6.360   0.453
   27   2HG   PRO   6          1HG       PRO   6   7.471  -4.934  -0.501
   28   1HD   PRO   6          2HD       PRO   6   7.626  -5.262   2.461
   29   2HD   PRO   6          1HD       PRO   6   8.013  -3.848   1.458
   30    H    VAL   7           H        VAL   7   4.924  -6.040   3.140
   31    HA   VAL   7           HA       VAL   7   2.404  -7.287   2.982
   32    HB   VAL   7           HB       VAL   7   3.738  -6.509   5.566
   33   1HG1  VAL   7          1HG1      VAL   7   1.469  -7.513   5.625
   34   2HG1  VAL   7          2HG1      VAL   7   2.694  -8.475   6.453
   35   3HG1  VAL   7          3HG1      VAL   7   2.129  -8.955   4.853
   36   1HG2  VAL   7          1HG2      VAL   7   5.508  -7.785   5.135
   37   2HG2  VAL   7          2HG2      VAL   7   4.919  -8.019   3.489
   38   3HG2  VAL   7          3HG2      VAL   7   4.462  -9.155   4.760
   39    H    CYS   8           H        CYS   8   3.471  -4.424   4.764
   40    HA   CYS   8           HA       CYS   8   0.976  -3.725   5.816
   41   1HB   CYS   8          2HB       CYS   8   3.235  -2.842   6.530
   42   2HB   CYS   8          1HB       CYS   8   3.182  -1.784   5.125
   43    H    HIS   9           H        HIS   9   2.574  -2.738   2.810
   44    HA   HIS   9           HA       HIS   9   0.664  -0.825   2.024
   45   1HB   HIS   9          2HB       HIS   9   2.999  -1.289   1.034
   46   2HB   HIS   9          1HB       HIS   9   2.187  -2.518   0.064
   47    HD1  HIS   9           1HD      HIS   9  -0.279  -1.184  -0.934
   48    HD2  HIS   9           2HD      HIS   9   3.315   0.873  -0.552
   49    HE1  HIS   9           1HE      HIS   9  -0.458   0.783  -2.491
   50    HE2  HIS   9           2HE      HIS   9   1.663   2.093  -2.127
   51    H    LEU  10           H        LEU  10   0.910  -4.287   1.261
   52    HA   LEU  10           HA       LEU  10  -1.408  -4.268  -0.408
   53   1HB   LEU  10          2HB       LEU  10   0.423  -6.342   0.667
   54   2HB   LEU  10          1HB       LEU  10  -1.164  -6.868   0.141
   55    HG   LEU  10           HG       LEU  10  -0.731  -5.938  -2.098
   56   1HD1  LEU  10          1HD1      LEU  10   1.373  -5.062  -2.747
   57   2HD1  LEU  10          2HD1      LEU  10   2.093  -5.454  -1.185
   58   3HD1  LEU  10          3HD1      LEU  10   0.878  -4.182  -1.301
   59   1HD2  LEU  10          1HD2      LEU  10   1.261  -7.902  -0.994
   60   2HD2  LEU  10          2HD2      LEU  10   1.104  -7.548  -2.715
   61   3HD2  LEU  10          3HD2      LEU  10  -0.256  -8.239  -1.829
   62    H    GLU  11           H        GLU  11  -0.817  -5.479   2.888
   63    HA   GLU  11           HA       GLU  11  -3.422  -6.404   3.382
   64   1HB   GLU  11          2HB       GLU  11  -1.526  -7.037   4.773
   65   2HB   GLU  11          1HB       GLU  11  -1.319  -5.372   5.294
   66   1HG   GLU  11          2HG       GLU  11  -3.770  -5.642   6.148
   67   2HG   GLU  11          1HG       GLU  11  -3.388  -7.362   6.078
   68    H    HIS  12           H        HIS  12  -1.883  -3.322   4.259
   69    HA   HIS  12           HA       HIS  12  -4.512  -2.229   4.961
   70   1HB   HIS  12          2HB       HIS  12  -1.823  -0.885   5.279
   71   2HB   HIS  12          1HB       HIS  12  -3.339  -0.440   6.046
   72    HD1  HIS  12           1HD      HIS  12  -4.204  -2.059   7.960
   73    HD2  HIS  12           2HD      HIS  12  -0.345  -2.817   6.621
   74    HE1  HIS  12           1HE      HIS  12  -3.185  -3.575   9.677
   75    HE2  HIS  12           2HE      HIS  12  -1.009  -4.290   8.636
   76    H    SER  13           H        SER  13  -4.187  -2.744   2.294
   77    HA   SER  13           HA       SER  13  -3.133  -0.768   0.673
   78   1HB   SER  13          2HB       SER  13  -5.194  -1.543  -0.830
   79   2HB   SER  13          1HB       SER  13  -3.811  -2.598  -0.533
   80    HG   SER  13           HG       SER  13  -5.050  -3.893   0.564
   81    H    ASN  14           H        ASN  14  -6.242  -0.879   2.300
   82    HA   ASN  14           HA       ASN  14  -7.400   1.378   1.074
   83   1HB   ASN  14          2HB       ASN  14  -7.916   0.093   3.760
   84   2HB   ASN  14          1HB       ASN  14  -8.892   1.403   3.104
   85   1HD2  ASN  14          1HD2      ASN  14  -8.787  -1.825   3.482
   86   2HD2  ASN  14          2HD2      ASN  14  -9.765  -2.317   2.150
   87    H    LEU  15           H        LEU  15  -5.210   1.040   3.800
   88    HA   LEU  15           HA       LEU  15  -5.486   3.840   4.528
   89   1HB   LEU  15          2HB       LEU  15  -3.606   1.722   5.577
   90   2HB   LEU  15          1HB       LEU  15  -3.827   3.321   6.261
   91    HG   LEU  15           HG       LEU  15  -5.948   1.175   6.138
   92   1HD1  LEU  15          1HD1      LEU  15  -4.143   0.623   7.691
   93   2HD1  LEU  15          2HD1      LEU  15  -5.635   1.013   8.547
   94   3HD1  LEU  15          3HD1      LEU  15  -4.329   2.196   8.468
   95   1HD2  LEU  15          1HD2      LEU  15  -6.450   3.257   8.027
   96   2HD2  LEU  15          2HD2      LEU  15  -7.426   2.750   6.648
   97   3HD2  LEU  15          3HD2      LEU  15  -6.171   3.971   6.438
   98    H    CYS  16           H        CYS  16  -3.390   1.768   2.737
   99    HA   CYS  16           HA       CYS  16  -1.214   3.620   2.565
  100   1HB   CYS  16          2HB       CYS  16  -1.804   0.956   1.310
  101   2HB   CYS  16          1HB       CYS  16  -0.391   1.906   0.852
  102    H    GLY  17           H        GLY  17  -3.528   4.849   1.708
  103   1HA   GLY  17          2HA       GLY  17  -3.415   4.908  -1.211
  104   2HA   GLY  17          1HA       GLY  17  -4.560   5.778  -0.194
  105    H    GLY  18           H        GLY  18  -4.186   7.750  -1.240
  106   1HA   GLY  18          2HA       GLY  18  -3.190   9.797  -1.513
  107   2HA   GLY  18          1HA       GLY  18  -2.223   9.392  -0.101
  108    H    ALA  19           H        ALA  19  -0.178   9.825  -0.588
  109    HA   ALA  19           HA       ALA  19   0.848   9.486  -3.256
  110   1HB   ALA  19          1HB       ALA  19   2.693  10.682  -2.581
  111   2HB   ALA  19          2HB       ALA  19   2.600  10.089  -0.922
  112   3HB   ALA  19          3HB       ALA  19   1.458  11.306  -1.489
  113    H    ALA  20           H        ALA  20   1.470   8.065  -0.084
  114    HA   ALA  20           HA       ALA  20   1.988   5.485  -1.164
  115   1HB   ALA  20          1HB       ALA  20   4.150   5.771  -1.679
  116   2HB   ALA  20          2HB       ALA  20   4.432   5.755   0.061
  117   3HB   ALA  20          3HB       ALA  20   4.253   7.290  -0.790
  118    H    GLY  21           H        GLY  21   0.240   6.457   0.771
  119   1HA   GLY  21          2HA       GLY  21  -0.554   5.843   2.835
  120   2HA   GLY  21          1HA       GLY  21   0.741   4.659   2.898
  121    H    GLY  22           H        GLY  22   1.751   4.889   4.794
  122   1HA   GLY  22          2HA       GLY  22   2.832   7.525   5.450
  123   2HA   GLY  22          1HA       GLY  22   1.783   6.769   6.635
  Start of MODEL   11
    1   1H    GLY   1           H        GLY   1   5.572   5.844   5.485
    2   1HA   GLY   1          2HA       GLY   1   7.494   4.595   5.856
    3   2HA   GLY   1          1HA       GLY   1   7.105   4.549   7.564
    4    H    CYS   2           H        CYS   2   4.669   3.341   7.571
    5    HA   CYS   2           HA       CYS   2   5.306   0.622   7.399
    6   1HB   CYS   2          2HB       CYS   2   3.457   1.762   8.760
    7   2HB   CYS   2          1HB       CYS   2   2.492   1.706   7.291
    8    H    CYS   3           H        CYS   3   3.606   2.743   5.170
    9    HA   CYS   3           HA       CYS   3   2.663   0.867   3.345
   10   1HB   CYS   3          2HB       CYS   3   3.557   3.707   2.848
   11   2HB   CYS   3          1HB       CYS   3   2.577   2.741   1.748
   12    H    SER   4           H        SER   4   5.900   1.975   3.855
   13    HA   SER   4           HA       SER   4   6.935   1.395   1.280
   14   1HB   SER   4          2HB       SER   4   8.407   1.403   3.927
   15   2HB   SER   4          1HB       SER   4   9.116   1.594   2.322
   16    HG   SER   4           HG       SER   4   8.693   3.636   2.471
   17    H    ASN   5           H        ASN   5   5.947  -0.549   3.912
   18    HA   ASN   5           HA       ASN   5   7.547  -2.848   3.116
   19   1HB   ASN   5          2HB       ASN   5   5.456  -2.473   5.271
   20   2HB   ASN   5          1HB       ASN   5   6.253  -4.006   4.948
   21   1HD2  ASN   5          1HD2      ASN   5   8.510  -1.719   4.319
   22   2HD2  ASN   5          2HD2      ASN   5   9.273  -1.634   5.866
   23    HA   PRO   6           HA       PRO   6   4.622  -4.182   0.059
   24   1HB   PRO   6          2HB       PRO   6   5.659  -6.866   0.828
   25   2HB   PRO   6          1HB       PRO   6   5.529  -6.125  -0.770
   26   1HG   PRO   6          2HG       PRO   6   7.888  -6.316   0.445
   27   2HG   PRO   6          1HG       PRO   6   7.461  -4.869  -0.488
   28   1HD   PRO   6          2HD       PRO   6   7.531  -5.264   2.471
   29   2HD   PRO   6          1HD       PRO   6   7.967  -3.835   1.511
   30    H    VAL   7           H        VAL   7   4.892  -5.999   3.104
   31    HA   VAL   7           HA       VAL   7   2.384  -7.284   2.932
   32    HB   VAL   7           HB       VAL   7   3.728  -6.532   5.520
   33   1HG1  VAL   7          1HG1      VAL   7   1.706  -8.528   4.657
   34   2HG1  VAL   7          2HG1      VAL   7   1.788  -7.557   6.126
   35   3HG1  VAL   7          3HG1      VAL   7   2.818  -8.978   5.951
   36   1HG2  VAL   7          1HG2      VAL   7   5.524  -7.738   5.009
   37   2HG2  VAL   7          2HG2      VAL   7   4.870  -8.057   3.402
   38   3HG2  VAL   7          3HG2      VAL   7   4.498  -9.147   4.737
   39    H    CYS   8           H        CYS   8   3.438  -4.439   4.766
   40    HA   CYS   8           HA       CYS   8   0.936  -3.787   5.829
   41   1HB   CYS   8          2HB       CYS   8   3.079  -2.870   6.661
   42   2HB   CYS   8          1HB       CYS   8   3.211  -1.898   5.198
   43    H    HIS   9           H        HIS   9   2.519  -2.724   2.838
   44    HA   HIS   9           HA       HIS   9   0.560  -0.839   2.096
   45   1HB   HIS   9          2HB       HIS   9   2.885  -1.170   1.083
   46   2HB   HIS   9          1HB       HIS   9   2.161  -2.474   0.141
   47    HD1  HIS   9           1HD      HIS   9  -0.299  -1.429  -1.023
   48    HD2  HIS   9           2HD      HIS   9   2.971   1.067  -0.415
   49    HE1  HIS   9           1HE      HIS   9  -0.634   0.514  -2.584
   50    HE2  HIS   9           2HE      HIS   9   1.263   2.089  -2.068
   51    H    LEU  10           H        LEU  10   0.904  -4.282   1.317
   52    HA   LEU  10           HA       LEU  10  -1.376  -4.374  -0.381
   53   1HB   LEU  10          2HB       LEU  10   0.459  -6.002  -0.502
   54   2HB   LEU  10          1HB       LEU  10   0.027  -6.608   1.085
   55    HG   LEU  10           HG       LEU  10  -2.169  -7.327   0.175
   56   1HD1  LEU  10          1HD1      LEU  10  -2.630  -5.992  -1.654
   57   2HD1  LEU  10          2HD1      LEU  10  -2.150  -7.513  -2.409
   58   3HD1  LEU  10          3HD1      LEU  10  -1.009  -6.171  -2.325
   59   1HD2  LEU  10          1HD2      LEU  10  -0.609  -9.048   0.323
   60   2HD2  LEU  10          2HD2      LEU  10   0.392  -8.380  -0.966
   61   3HD2  LEU  10          3HD2      LEU  10  -1.157  -9.130  -1.352
   62    H    GLU  11           H        GLU  11  -0.862  -5.541   2.948
   63    HA   GLU  11           HA       GLU  11  -3.489  -6.395   3.424
   64   1HB   GLU  11          2HB       GLU  11  -1.630  -7.057   4.843
   65   2HB   GLU  11          1HB       GLU  11  -1.376  -5.391   5.338
   66   1HG   GLU  11          2HG       GLU  11  -3.845  -5.580   6.174
   67   2HG   GLU  11          1HG       GLU  11  -3.500  -7.310   6.149
   68    H    HIS  12           H        HIS  12  -1.894  -3.340   4.270
   69    HA   HIS  12           HA       HIS  12  -4.494  -2.180   4.953
   70   1HB   HIS  12          2HB       HIS  12  -1.772  -0.899   5.245
   71   2HB   HIS  12          1HB       HIS  12  -3.275  -0.389   5.994
   72    HD1  HIS  12           1HD      HIS  12  -4.189  -1.927   7.953
   73    HD2  HIS  12           2HD      HIS  12  -0.360  -2.848   6.631
   74    HE1  HIS  12           1HE      HIS  12  -3.220  -3.434   9.705
   75    HE2  HIS  12           2HE      HIS  12  -1.069  -4.247   8.682
   76    H    SER  13           H        SER  13  -4.189  -2.742   2.276
   77    HA   SER  13           HA       SER  13  -3.099  -0.730   0.683
   78   1HB   SER  13          2HB       SER  13  -3.945  -2.968  -0.111
   79   2HB   SER  13          1HB       SER  13  -5.583  -2.329   0.024
   80    HG   SER  13           HG       SER  13  -5.005  -0.727  -1.499
   81    H    ASN  14           H        ASN  14  -6.158  -0.913   2.360
   82    HA   ASN  14           HA       ASN  14  -7.421   1.281   1.108
   83   1HB   ASN  14          2HB       ASN  14  -7.836   0.067   3.849
   84   2HB   ASN  14          1HB       ASN  14  -8.875   1.306   3.152
   85   1HD2  ASN  14          1HD2      ASN  14  -8.763  -1.845   3.748
   86   2HD2  ASN  14          2HD2      ASN  14  -9.696  -2.454   2.429
   87    H    LEU  15           H        LEU  15  -5.158   1.018   3.781
   88    HA   LEU  15           HA       LEU  15  -5.464   3.787   4.539
   89   1HB   LEU  15          2HB       LEU  15  -3.520   1.640   5.387
   90   2HB   LEU  15          1HB       LEU  15  -3.434   3.286   5.978
   91    HG   LEU  15           HG       LEU  15  -5.811   2.955   6.839
   92   1HD1  LEU  15          1HD1      LEU  15  -5.411   0.412   5.564
   93   2HD1  LEU  15          2HD1      LEU  15  -6.871   1.087   6.290
   94   3HD1  LEU  15          3HD1      LEU  15  -5.720   0.197   7.288
   95   1HD2  LEU  15          1HD2      LEU  15  -4.439   1.058   8.460
   96   2HD2  LEU  15          2HD2      LEU  15  -4.752   2.765   8.772
   97   3HD2  LEU  15          3HD2      LEU  15  -3.290   2.279   7.913
   98    H    CYS  16           H        CYS  16  -3.041   1.784   2.936
   99    HA   CYS  16           HA       CYS  16  -1.410   4.081   2.269
  100   1HB   CYS  16          2HB       CYS  16  -1.146   1.148   1.588
  101   2HB   CYS  16          1HB       CYS  16   0.040   2.380   1.170
  102    H    GLY  17           H        GLY  17  -4.045   4.135   1.187
  103   1HA   GLY  17          2HA       GLY  17  -3.719   3.505  -1.650
  104   2HA   GLY  17          1HA       GLY  17  -5.202   4.027  -0.864
  105    H    GLY  18           H        GLY  18  -1.983   5.511  -0.775
  106   1HA   GLY  18          2HA       GLY  18  -2.302   7.469  -2.684
  107   2HA   GLY  18          1HA       GLY  18  -3.072   8.104  -1.237
  108    H    ALA  19           H        ALA  19  -1.687   9.671  -0.660
  109    HA   ALA  19           HA       ALA  19   1.173   9.116  -0.523
  110   1HB   ALA  19          1HB       ALA  19   1.122  11.208  -1.352
  111   2HB   ALA  19          2HB       ALA  19   0.920  11.678   0.334
  112   3HB   ALA  19          3HB       ALA  19  -0.490  11.530  -0.714
  113    H    ALA  20           H        ALA  20  -0.730   7.872   1.276
  114    HA   ALA  20           HA       ALA  20  -0.205   9.097   3.866
  115   1HB   ALA  20          1HB       ALA  20  -1.545   6.510   3.898
  116   2HB   ALA  20          2HB       ALA  20  -2.361   7.696   2.878
  117   3HB   ALA  20          3HB       ALA  20  -2.054   8.055   4.578
  118    H    GLY  21           H        GLY  21   1.925   8.057   2.272
  119   1HA   GLY  21          2HA       GLY  21   2.800   5.514   3.186
  120   2HA   GLY  21          1HA       GLY  21   3.791   6.720   2.382
  121    H    GLY  22           H        GLY  22   2.288   6.054   5.528
  122   1HA   GLY  22          2HA       GLY  22   4.178   7.684   6.957
  123   2HA   GLY  22          1HA       GLY  22   2.929   6.669   7.661
  Start of MODEL   12
    1   1H    GLY   1           H        GLY   1   6.392   5.047   6.071
    2   1HA   GLY   1          2HA       GLY   1   7.486   3.121   6.689
    3   2HA   GLY   1          1HA       GLY   1   6.536   3.104   8.161
    4    H    CYS   2           H        CYS   2   3.996   2.884   7.177
    5    HA   CYS   2           HA       CYS   2   3.734   0.138   6.754
    6   1HB   CYS   2          2HB       CYS   2   1.973   1.632   7.684
    7   2HB   CYS   2          1HB       CYS   2   1.711   2.279   6.071
    8    H    CYS   3           H        CYS   3   3.391   2.807   4.424
    9    HA   CYS   3           HA       CYS   3   2.792   1.184   2.209
   10   1HB   CYS   3          2HB       CYS   3   4.109   3.903   2.221
   11   2HB   CYS   3          1HB       CYS   3   3.322   3.139   0.843
   12    H    SER   4           H        SER   4   5.818   2.039   3.687
   13    HA   SER   4           HA       SER   4   7.509   1.345   1.517
   14   1HB   SER   4          2HB       SER   4   8.193   1.313   4.463
   15   2HB   SER   4          1HB       SER   4   9.302   1.530   3.107
   16    HG   SER   4           HG       SER   4   8.539   3.541   2.777
   17    H    ASN   5           H        ASN   5   5.961  -0.436   4.073
   18    HA   ASN   5           HA       ASN   5   7.499  -2.847   3.562
   19   1HB   ASN   5          2HB       ASN   5   5.324  -2.124   5.513
   20   2HB   ASN   5          1HB       ASN   5   5.823  -3.794   5.281
   21   1HD2  ASN   5          1HD2      ASN   5   6.410  -0.954   6.948
   22   2HD2  ASN   5          2HD2      ASN   5   7.941  -1.375   7.628
   23    HA   PRO   6           HA       PRO   6   4.794  -4.178   0.295
   24   1HB   PRO   6          2HB       PRO   6   5.798  -6.852   1.122
   25   2HB   PRO   6          1HB       PRO   6   5.792  -6.094  -0.474
   26   1HG   PRO   6          2HG       PRO   6   8.048  -6.298   0.930
   27   2HG   PRO   6          1HG       PRO   6   7.700  -4.852  -0.037
   28   1HD   PRO   6          2HD       PRO   6   7.522  -5.247   2.920
   29   2HD   PRO   6          1HD       PRO   6   8.050  -3.822   2.000
   30    H    VAL   7           H        VAL   7   4.941  -6.082   3.304
   31    HA   VAL   7           HA       VAL   7   2.440  -7.349   3.016
   32    HB   VAL   7           HB       VAL   7   3.576  -6.636   5.702
   33   1HG1  VAL   7          1HG1      VAL   7   2.473  -9.299   4.950
   34   2HG1  VAL   7          2HG1      VAL   7   1.368  -7.946   5.193
   35   3HG1  VAL   7          3HG1      VAL   7   2.438  -8.454   6.499
   36   1HG2  VAL   7          1HG2      VAL   7   5.147  -8.426   5.615
   37   2HG2  VAL   7          2HG2      VAL   7   5.416  -7.438   4.181
   38   3HG2  VAL   7          3HG2      VAL   7   4.546  -8.965   4.048
   39    H    CYS   8           H        CYS   8   3.429  -4.497   4.852
   40    HA   CYS   8           HA       CYS   8   0.893  -3.880   5.880
   41   1HB   CYS   8          2HB       CYS   8   3.283  -2.973   6.494
   42   2HB   CYS   8          1HB       CYS   8   2.892  -1.725   5.313
   43    H    HIS   9           H        HIS   9   2.561  -2.809   2.940
   44    HA   HIS   9           HA       HIS   9   0.637  -0.914   2.145
   45   1HB   HIS   9          2HB       HIS   9   2.984  -1.233   1.205
   46   2HB   HIS   9          1HB       HIS   9   2.313  -2.548   0.246
   47    HD1  HIS   9           1HD      HIS   9  -0.266  -1.361  -0.800
   48    HD2  HIS   9           2HD      HIS   9   3.275   0.809  -0.543
   49    HE1  HIS   9           1HE      HIS   9  -0.489   0.501  -2.476
   50    HE2  HIS   9           2HE      HIS   9   1.710   1.721  -2.390
   51    H    LEU  10           H        LEU  10   0.999  -4.353   1.262
   52    HA   LEU  10           HA       LEU  10  -1.223  -4.387  -0.491
   53   1HB   LEU  10          2HB       LEU  10   0.137  -6.635   0.989
   54   2HB   LEU  10          1HB       LEU  10  -1.084  -6.868  -0.248
   55    HG   LEU  10           HG       LEU  10   1.611  -5.572  -0.669
   56   1HD1  LEU  10          1HD1      LEU  10   0.748  -8.321  -0.669
   57   2HD1  LEU  10          2HD1      LEU  10   2.370  -7.650  -0.842
   58   3HD1  LEU  10          3HD1      LEU  10   1.340  -7.842  -2.261
   59   1HD2  LEU  10          1HD2      LEU  10   0.246  -4.566  -2.250
   60   2HD2  LEU  10          2HD2      LEU  10  -0.757  -6.004  -2.447
   61   3HD2  LEU  10          3HD2      LEU  10   0.874  -5.967  -3.118
   62    H    GLU  11           H        GLU  11  -0.894  -5.634   2.822
   63    HA   GLU  11           HA       GLU  11  -3.585  -6.360   3.148
   64   1HB   GLU  11          2HB       GLU  11  -2.282  -7.360   4.726
   65   2HB   GLU  11          1HB       GLU  11  -1.203  -5.987   4.864
   66   1HG   GLU  11          2HG       GLU  11  -2.374  -6.458   6.943
   67   2HG   GLU  11          1HG       GLU  11  -2.757  -4.860   6.319
   68    H    HIS  12           H        HIS  12  -1.865  -3.418   4.169
   69    HA   HIS  12           HA       HIS  12  -4.445  -2.211   4.798
   70   1HB   HIS  12          2HB       HIS  12  -1.681  -1.103   5.295
   71   2HB   HIS  12          1HB       HIS  12  -3.196  -0.467   5.922
   72    HD1  HIS  12           1HD      HIS  12  -4.556  -2.300   7.482
   73    HD2  HIS  12           2HD      HIS  12  -0.464  -2.885   6.979
   74    HE1  HIS  12           1HE      HIS  12  -3.858  -3.809   9.360
   75    HE2  HIS  12           2HE      HIS  12  -1.435  -4.314   8.902
   76    H    SER  13           H        SER  13  -4.246  -2.590   2.140
   77    HA   SER  13           HA       SER  13  -3.100  -0.453   0.683
   78   1HB   SER  13          2HB       SER  13  -5.444  -2.262   0.037
   79   2HB   SER  13          1HB       SER  13  -4.766  -1.098  -1.102
   80    HG   SER  13           HG       SER  13  -3.583  -3.427  -0.019
   81    H    ASN  14           H        ASN  14  -5.955  -0.835   2.541
   82    HA   ASN  14           HA       ASN  14  -7.477   1.339   1.592
   83   1HB   ASN  14          2HB       ASN  14  -8.448   1.167   4.025
   84   2HB   ASN  14          1HB       ASN  14  -8.732  -0.133   2.874
   85   1HD2  ASN  14          1HD2      ASN  14  -8.533  -2.055   3.747
   86   2HD2  ASN  14          2HD2      ASN  14  -7.421  -2.511   4.989
   87    H    LEU  15           H        LEU  15  -5.007   1.049   4.113
   88    HA   LEU  15           HA       LEU  15  -5.272   3.813   4.897
   89   1HB   LEU  15          2HB       LEU  15  -3.161   1.764   5.585
   90   2HB   LEU  15          1HB       LEU  15  -3.308   3.348   6.322
   91    HG   LEU  15           HG       LEU  15  -5.349   1.130   6.521
   92   1HD1  LEU  15          1HD1      LEU  15  -3.856   0.350   8.010
   93   2HD1  LEU  15          2HD1      LEU  15  -4.514   1.620   9.041
   94   3HD1  LEU  15          3HD1      LEU  15  -3.020   1.897   8.146
   95   1HD2  LEU  15          1HD2      LEU  15  -5.815   3.013   8.499
   96   2HD2  LEU  15          2HD2      LEU  15  -6.767   2.769   7.034
   97   3HD2  LEU  15          3HD2      LEU  15  -5.480   3.974   7.059
   98    H    CYS  16           H        CYS  16  -2.942   1.837   3.118
   99    HA   CYS  16           HA       CYS  16  -1.354   4.156   2.434
  100   1HB   CYS  16          2HB       CYS  16  -1.086   1.217   2.086
  101   2HB   CYS  16          1HB       CYS  16  -0.218   2.255   0.958
  102    H    GLY  17           H        GLY  17  -3.982   4.360   1.500
  103   1HA   GLY  17          2HA       GLY  17  -4.213   3.616  -1.240
  104   2HA   GLY  17          1HA       GLY  17  -5.189   4.821  -0.406
  105    H    GLY  18           H        GLY  18  -3.090   6.498   0.438
  106   1HA   GLY  18          2HA       GLY  18  -1.561   7.289  -1.880
  107   2HA   GLY  18          1HA       GLY  18  -2.879   8.382  -1.484
  108    H    ALA  19           H        ALA  19  -1.038   6.581   0.886
  109    HA   ALA  19           HA       ALA  19  -0.366   9.003   2.281
  110   1HB   ALA  19          1HB       ALA  19  -0.242   6.115   2.837
  111   2HB   ALA  19          2HB       ALA  19  -0.703   7.454   3.887
  112   3HB   ALA  19          3HB       ALA  19   1.003   7.092   3.616
  113    H    ALA  20           H        ALA  20   1.274   6.603   0.365
  114    HA   ALA  20           HA       ALA  20   3.297   6.478  -0.638
  115   1HB   ALA  20          1HB       ALA  20   3.418   9.467  -0.298
  116   2HB   ALA  20          2HB       ALA  20   2.513   8.648  -1.570
  117   3HB   ALA  20          3HB       ALA  20   4.267   8.487  -1.493
  118    H    GLY  21           H        GLY  21   3.182   6.237   2.273
  119   1HA   GLY  21          2HA       GLY  21   5.838   5.879   2.865
  120   2HA   GLY  21          1HA       GLY  21   5.495   7.532   3.353
  121    H    GLY  22           H        GLY  22   5.460   7.489   5.492
  122   1HA   GLY  22          2HA       GLY  22   4.736   7.071   7.622
  123   2HA   GLY  22          1HA       GLY  22   3.303   6.360   6.901
  Start of MODEL   13
    1   1H    GLY   1           H        GLY   1   5.699   5.362   6.183
    2   1HA   GLY   1          2HA       GLY   1   7.181   3.638   6.593
    3   2HA   GLY   1          1HA       GLY   1   6.431   3.413   8.161
    4    H    CYS   2           H        CYS   2   3.799   2.952   7.266
    5    HA   CYS   2           HA       CYS   2   3.757   0.204   6.925
    6   1HB   CYS   2          2HB       CYS   2   1.852   1.538   7.730
    7   2HB   CYS   2          1HB       CYS   2   1.635   2.205   6.122
    8    H    CYS   3           H        CYS   3   3.325   2.726   4.472
    9    HA   CYS   3           HA       CYS   3   2.891   0.999   2.306
   10   1HB   CYS   3          2HB       CYS   3   4.033   3.791   2.304
   11   2HB   CYS   3          1HB       CYS   3   3.431   2.938   0.885
   12    H    SER   4           H        SER   4   5.836   1.958   3.868
   13    HA   SER   4           HA       SER   4   7.628   1.371   1.760
   14   1HB   SER   4          2HB       SER   4   8.135   1.236   4.745
   15   2HB   SER   4          1HB       SER   4   9.352   1.400   3.478
   16    HG   SER   4           HG       SER   4   8.974   3.462   3.424
   17    H    ASN   5           H        ASN   5   6.057  -0.549   4.225
   18    HA   ASN   5           HA       ASN   5   7.575  -2.930   3.520
   19   1HB   ASN   5          2HB       ASN   5   5.327  -2.494   5.503
   20   2HB   ASN   5          1HB       ASN   5   6.128  -4.038   5.241
   21   1HD2  ASN   5          1HD2      ASN   5   7.602  -4.486   6.703
   22   2HD2  ASN   5          2HD2      ASN   5   8.587  -3.345   7.545
   23    HA   PRO   6           HA       PRO   6   4.793  -3.897   0.179
   24   1HB   PRO   6          2HB       PRO   6   5.443  -6.618   0.189
   25   2HB   PRO   6          1HB       PRO   6   6.251  -5.361  -0.750
   26   1HG   PRO   6          2HG       PRO   6   7.038  -6.589   1.850
   27   2HG   PRO   6          1HG       PRO   6   8.060  -6.051   0.503
   28   1HD   PRO   6          2HD       PRO   6   7.840  -4.607   2.747
   29   2HD   PRO   6          1HD       PRO   6   7.956  -3.823   1.157
   30    H    VAL   7           H        VAL   7   4.973  -5.981   3.050
   31    HA   VAL   7           HA       VAL   7   2.481  -7.258   2.684
   32    HB   VAL   7           HB       VAL   7   3.678  -6.712   5.388
   33   1HG1  VAL   7          1HG1      VAL   7   2.506  -8.538   6.124
   34   2HG1  VAL   7          2HG1      VAL   7   2.472  -9.299   4.532
   35   3HG1  VAL   7          3HG1      VAL   7   1.416  -7.930   4.877
   36   1HG2  VAL   7          1HG2      VAL   7   5.438  -7.492   3.750
   37   2HG2  VAL   7          2HG2      VAL   7   4.522  -8.992   3.604
   38   3HG2  VAL   7          3HG2      VAL   7   5.202  -8.521   5.162
   39    H    CYS   8           H        CYS   8   3.457  -4.568   4.772
   40    HA   CYS   8           HA       CYS   8   0.940  -4.003   5.830
   41   1HB   CYS   8          2HB       CYS   8   3.289  -3.114   6.506
   42   2HB   CYS   8          1HB       CYS   8   2.965  -1.842   5.332
   43    H    HIS   9           H        HIS   9   2.537  -2.742   2.920
   44    HA   HIS   9           HA       HIS   9   0.610  -0.814   2.267
   45   1HB   HIS   9          2HB       HIS   9   2.893  -1.100   1.207
   46   2HB   HIS   9          1HB       HIS   9   2.198  -2.413   0.260
   47    HD1  HIS   9           1HD      HIS   9  -0.295  -1.405  -0.892
   48    HD2  HIS   9           2HD      HIS   9   2.950   1.127  -0.306
   49    HE1  HIS   9           1HE      HIS   9  -0.655   0.523  -2.460
   50    HE2  HIS   9           2HE      HIS   9   1.207   2.132  -1.934
   51    H    LEU  10           H        LEU  10   0.866  -4.220   1.255
   52    HA   LEU  10           HA       LEU  10  -1.504  -4.130  -0.331
   53   1HB   LEU  10          2HB       LEU  10   0.002  -6.485   0.806
   54   2HB   LEU  10          1HB       LEU  10  -1.293  -6.601  -0.371
   55    HG   LEU  10           HG       LEU  10   1.363  -5.230  -0.813
   56   1HD1  LEU  10          1HD1      LEU  10   1.421  -7.724  -0.667
   57   2HD1  LEU  10          2HD1      LEU  10   1.920  -7.068  -2.227
   58   3HD1  LEU  10          3HD1      LEU  10   0.314  -7.772  -2.039
   59   1HD2  LEU  10          1HD2      LEU  10  -0.252  -4.104  -2.128
   60   2HD2  LEU  10          2HD2      LEU  10  -1.043  -5.615  -2.582
   61   3HD2  LEU  10          3HD2      LEU  10   0.563  -5.236  -3.207
   62    H    GLU  11           H        GLU  11  -0.785  -5.517   2.854
   63    HA   GLU  11           HA       GLU  11  -3.333  -6.500   3.451
   64   1HB   GLU  11          2HB       GLU  11  -1.290  -7.076   4.688
   65   2HB   GLU  11          1HB       GLU  11  -1.192  -5.436   5.303
   66   1HG   GLU  11          2HG       GLU  11  -3.356  -5.802   6.460
   67   2HG   GLU  11          1HG       GLU  11  -3.299  -7.486   5.934
   68    H    HIS  12           H        HIS  12  -1.892  -3.325   3.964
   69    HA   HIS  12           HA       HIS  12  -4.504  -2.340   4.903
   70   1HB   HIS  12          2HB       HIS  12  -1.783  -1.080   5.313
   71   2HB   HIS  12          1HB       HIS  12  -3.304  -0.533   6.004
   72    HD1  HIS  12           1HD      HIS  12  -4.330  -1.979   7.919
   73    HD2  HIS  12           2HD      HIS  12  -0.573  -3.233   6.650
   74    HE1  HIS  12           1HE      HIS  12  -3.552  -3.625   9.642
   75    HE2  HIS  12           2HE      HIS  12  -1.471  -4.619   8.644
   76    H    SER  13           H        SER  13  -4.307  -2.688   2.223
   77    HA   SER  13           HA       SER  13  -3.263  -0.586   0.713
   78   1HB   SER  13          2HB       SER  13  -5.657  -2.360   0.196
   79   2HB   SER  13          1HB       SER  13  -4.998  -1.239  -0.994
   80    HG   SER  13           HG       SER  13  -3.823  -3.560   0.107
   81    H    ASN  14           H        ASN  14  -6.135  -0.777   2.645
   82    HA   ASN  14           HA       ASN  14  -7.555   1.407   1.571
   83   1HB   ASN  14          2HB       ASN  14  -7.563   0.169   4.327
   84   2HB   ASN  14          1HB       ASN  14  -8.650   1.472   3.859
   85   1HD2  ASN  14          1HD2      ASN  14  -8.327  -0.120   1.088
   86   2HD2  ASN  14          2HD2      ASN  14  -9.607  -1.269   1.229
   87    H    LEU  15           H        LEU  15  -5.001   1.168   3.986
   88    HA   LEU  15           HA       LEU  15  -5.155   3.993   4.620
   89   1HB   LEU  15          2HB       LEU  15  -3.121   1.911   5.430
   90   2HB   LEU  15          1HB       LEU  15  -3.229   3.537   6.078
   91    HG   LEU  15           HG       LEU  15  -5.336   1.395   6.391
   92   1HD1  LEU  15          1HD1      LEU  15  -4.569   1.750   8.856
   93   2HD1  LEU  15          2HD1      LEU  15  -3.076   2.316   8.108
   94   3HD1  LEU  15          3HD1      LEU  15  -3.657   0.680   7.792
   95   1HD2  LEU  15          1HD2      LEU  15  -6.070   3.837   6.330
   96   2HD2  LEU  15          2HD2      LEU  15  -5.176   4.022   7.839
   97   3HD2  LEU  15          3HD2      LEU  15  -6.529   2.894   7.749
   98    H    CYS  16           H        CYS  16  -2.941   1.774   3.002
   99    HA   CYS  16           HA       CYS  16  -1.208   3.905   2.134
  100   1HB   CYS  16          2HB       CYS  16  -1.204   0.936   1.950
  101   2HB   CYS  16          1HB       CYS  16  -0.254   1.834   0.770
  102    H    GLY  17           H        GLY  17  -3.784   4.325   1.224
  103   1HA   GLY  17          2HA       GLY  17  -4.101   3.423  -1.478
  104   2HA   GLY  17          1HA       GLY  17  -5.022   4.697  -0.690
  105    H    GLY  18           H        GLY  18  -3.078   6.482   0.007
  106   1HA   GLY  18          2HA       GLY  18  -1.144   7.072  -1.914
  107   2HA   GLY  18          1HA       GLY  18  -2.634   7.856  -2.415
  108    H    ALA  19           H        ALA  19   0.091   8.704  -1.247
  109    HA   ALA  19           HA       ALA  19   0.930  10.375   0.030
  110   1HB   ALA  19          1HB       ALA  19  -0.539  11.836  -1.115
  111   2HB   ALA  19          2HB       ALA  19  -0.648  12.256   0.593
  112   3HB   ALA  19          3HB       ALA  19  -1.925  11.304  -0.164
  113    H    ALA  20           H        ALA  20   0.334   8.023   1.383
  114    HA   ALA  20           HA       ALA  20   0.154   9.028   4.089
  115   1HB   ALA  20          1HB       ALA  20  -1.565   6.742   4.010
  116   2HB   ALA  20          2HB       ALA  20  -2.152   7.952   2.871
  117   3HB   ALA  20          3HB       ALA  20  -1.920   8.377   4.566
  118    H    GLY  21           H        GLY  21   2.396   8.167   3.104
  119   1HA   GLY  21          2HA       GLY  21   2.925   5.425   2.997
  120   2HA   GLY  21          1HA       GLY  21   4.111   6.665   3.370
  121    H    GLY  22           H        GLY  22   3.788   7.573   5.696
  122   1HA   GLY  22          2HA       GLY  22   4.186   7.139   7.912
  123   2HA   GLY  22          1HA       GLY  22   2.681   6.247   7.805
  Start of MODEL   14
    1   1H    GLY   1           H        GLY   1   3.809   4.971   6.560
    2   1HA   GLY   1          2HA       GLY   1   6.509   4.620   6.034
    3   2HA   GLY   1          1HA       GLY   1   6.295   4.196   7.727
    4    H    CYS   2           H        CYS   2   3.545   3.256   7.183
    5    HA   CYS   2           HA       CYS   2   3.898   0.540   7.015
    6   1HB   CYS   2          2HB       CYS   2   1.825   1.494   7.757
    7   2HB   CYS   2          1HB       CYS   2   1.550   2.257   6.205
    8    H    CYS   3           H        CYS   3   3.210   2.777   4.405
    9    HA   CYS   3           HA       CYS   3   2.835   0.989   2.320
   10   1HB   CYS   3          2HB       CYS   3   4.084   3.725   2.109
   11   2HB   CYS   3          1HB       CYS   3   3.248   2.844   0.834
   12    H    SER   4           H        SER   4   5.827   1.981   3.813
   13    HA   SER   4           HA       SER   4   7.564   1.319   1.681
   14   1HB   SER   4          2HB       SER   4   8.233   2.707   3.635
   15   2HB   SER   4          1HB       SER   4   8.154   1.269   4.652
   16    HG   SER   4           HG       SER   4   9.663   0.661   2.578
   17    H    ASN   5           H        ASN   5   5.961  -0.557   4.138
   18    HA   ASN   5           HA       ASN   5   7.524  -2.936   3.527
   19   1HB   ASN   5          2HB       ASN   5   5.276  -2.401   5.473
   20   2HB   ASN   5          1HB       ASN   5   5.927  -4.011   5.195
   21   1HD2  ASN   5          1HD2      ASN   5   8.455  -1.952   4.798
   22   2HD2  ASN   5          2HD2      ASN   5   9.089  -1.971   6.405
   23    HA   PRO   6           HA       PRO   6   4.843  -4.048   0.162
   24   1HB   PRO   6          2HB       PRO   6   5.470  -6.761   0.259
   25   2HB   PRO   6          1HB       PRO   6   6.351  -5.534  -0.654
   26   1HG   PRO   6          2HG       PRO   6   6.964  -6.717   2.015
   27   2HG   PRO   6          1HG       PRO   6   8.071  -6.245   0.713
   28   1HD   PRO   6          2HD       PRO   6   7.759  -4.731   2.900
   29   2HD   PRO   6          1HD       PRO   6   7.997  -3.999   1.298
   30    H    VAL   7           H        VAL   7   4.942  -6.081   3.077
   31    HA   VAL   7           HA       VAL   7   2.422  -7.302   2.685
   32    HB   VAL   7           HB       VAL   7   3.625  -6.794   5.395
   33   1HG1  VAL   7          1HG1      VAL   7   2.523  -9.423   4.804
   34   2HG1  VAL   7          2HG1      VAL   7   1.355  -8.118   4.599
   35   3HG1  VAL   7          3HG1      VAL   7   2.187  -8.323   6.141
   36   1HG2  VAL   7          1HG2      VAL   7   4.379  -9.223   3.830
   37   2HG2  VAL   7          2HG2      VAL   7   5.224  -8.435   5.162
   38   3HG2  VAL   7          3HG2      VAL   7   5.253  -7.716   3.552
   39    H    CYS   8           H        CYS   8   3.463  -4.653   4.791
   40    HA   CYS   8           HA       CYS   8   0.973  -4.012   5.850
   41   1HB   CYS   8          2HB       CYS   8   3.323  -3.203   6.544
   42   2HB   CYS   8          1HB       CYS   8   3.095  -1.940   5.339
   43    H    HIS   9           H        HIS   9   2.563  -2.800   2.911
   44    HA   HIS   9           HA       HIS   9   0.650  -0.836   2.281
   45   1HB   HIS   9          2HB       HIS   9   2.941  -1.137   1.222
   46   2HB   HIS   9          1HB       HIS   9   2.225  -2.423   0.255
   47    HD1  HIS   9           1HD      HIS   9  -0.277  -1.324  -0.842
   48    HD2  HIS   9           2HD      HIS   9   3.068   1.086  -0.293
   49    HE1  HIS   9           1HE      HIS   9  -0.589   0.627  -2.395
   50    HE2  HIS   9           2HE      HIS   9   1.335   2.173  -1.882
   51    H    LEU  10           H        LEU  10   0.904  -4.232   1.256
   52    HA   LEU  10           HA       LEU  10  -1.445  -4.149  -0.355
   53   1HB   LEU  10          2HB       LEU  10   0.371  -5.773  -0.700
   54   2HB   LEU  10          1HB       LEU  10  -0.004  -6.517   0.842
   55    HG   LEU  10           HG       LEU  10  -2.241  -7.139  -0.036
   56   1HD1  LEU  10          1HD1      LEU  10  -2.230  -5.282  -1.769
   57   2HD1  LEU  10          2HD1      LEU  10  -2.835  -6.853  -2.294
   58   3HD1  LEU  10          3HD1      LEU  10  -1.208  -6.340  -2.743
   59   1HD2  LEU  10          1HD2      LEU  10   0.323  -8.188  -0.837
   60   2HD2  LEU  10          2HD2      LEU  10  -0.912  -8.526  -2.050
   61   3HD2  LEU  10          3HD2      LEU  10  -1.150  -9.043  -0.380
   62    H    GLU  11           H        GLU  11  -0.776  -5.535   2.841
   63    HA   GLU  11           HA       GLU  11  -3.338  -6.493   3.415
   64   1HB   GLU  11          2HB       GLU  11  -1.306  -7.098   4.655
   65   2HB   GLU  11          1HB       GLU  11  -1.195  -5.463   5.285
   66   1HG   GLU  11          2HG       GLU  11  -3.368  -5.819   6.429
   67   2HG   GLU  11          1HG       GLU  11  -3.322  -7.501   5.891
   68    H    HIS  12           H        HIS  12  -1.888  -3.322   3.898
   69    HA   HIS  12           HA       HIS  12  -4.497  -2.332   4.843
   70   1HB   HIS  12          2HB       HIS  12  -1.781  -1.081   5.302
   71   2HB   HIS  12          1HB       HIS  12  -3.311  -0.555   5.990
   72    HD1  HIS  12           1HD      HIS  12  -4.359  -2.070   7.849
   73    HD2  HIS  12           2HD      HIS  12  -0.552  -3.220   6.637
   74    HE1  HIS  12           1HE      HIS  12  -3.580  -3.723   9.562
   75    HE2  HIS  12           2HE      HIS  12  -1.459  -4.657   8.593
   76    H    SER  13           H        SER  13  -4.283  -2.642   2.166
   77    HA   SER  13           HA       SER  13  -3.186  -0.537   0.699
   78   1HB   SER  13          2HB       SER  13  -5.609  -2.254   0.125
   79   2HB   SER  13          1HB       SER  13  -4.892  -1.145  -1.044
   80    HG   SER  13           HG       SER  13  -3.818  -3.511   0.061
   81    H    ASN  14           H        ASN  14  -6.167  -0.761   2.494
   82    HA   ASN  14           HA       ASN  14  -7.485   1.498   1.465
   83   1HB   ASN  14          2HB       ASN  14  -7.654   0.328   4.253
   84   2HB   ASN  14          1HB       ASN  14  -8.808   1.448   3.540
   85   1HD2  ASN  14          1HD2      ASN  14 -10.570   0.530   2.795
   86   2HD2  ASN  14          2HD2      ASN  14 -10.704  -1.083   2.189
   87    H    LEU  15           H        LEU  15  -5.049   1.120   3.978
   88    HA   LEU  15           HA       LEU  15  -5.211   3.920   4.726
   89   1HB   LEU  15          2HB       LEU  15  -3.389   1.683   5.623
   90   2HB   LEU  15          1HB       LEU  15  -3.256   3.328   6.207
   91    HG   LEU  15           HG       LEU  15  -4.411   2.147   7.881
   92   1HD1  LEU  15          1HD1      LEU  15  -6.413   3.642   6.202
   93   2HD1  LEU  15          2HD1      LEU  15  -5.391   4.295   7.484
   94   3HD1  LEU  15          3HD1      LEU  15  -6.672   3.147   7.876
   95   1HD2  LEU  15          1HD2      LEU  15  -6.463   0.828   7.424
   96   2HD2  LEU  15          2HD2      LEU  15  -5.003   0.144   6.709
   97   3HD2  LEU  15          3HD2      LEU  15  -6.153   1.019   5.698
   98    H    CYS  16           H        CYS  16  -3.117   1.756   2.945
   99    HA   CYS  16           HA       CYS  16  -1.312   3.947   2.312
  100   1HB   CYS  16          2HB       CYS  16  -1.090   0.995   2.274
  101   2HB   CYS  16          1HB       CYS  16  -0.173   1.878   1.055
  102    H    GLY  17           H        GLY  17  -3.623   4.472   1.181
  103   1HA   GLY  17          2HA       GLY  17  -3.877   3.415  -1.487
  104   2HA   GLY  17          1HA       GLY  17  -4.733   4.804  -0.828
  105    H    GLY  18           H        GLY  18  -1.296   4.129  -1.194
  106   1HA   GLY  18          2HA       GLY  18  -0.643   5.605  -3.410
  107   2HA   GLY  18          1HA       GLY  18  -0.686   6.767  -2.084
  108    H    ALA  19           H        ALA  19   1.338   7.166  -1.453
  109    HA   ALA  19           HA       ALA  19   2.985   4.944  -0.574
  110   1HB   ALA  19          1HB       ALA  19   3.864   6.824  -2.758
  111   2HB   ALA  19          2HB       ALA  19   3.725   5.067  -2.836
  112   3HB   ALA  19          3HB       ALA  19   4.974   5.809  -1.835
  113    H    ALA  20           H        ALA  20   1.719   6.807   0.996
  114    HA   ALA  20           HA       ALA  20   3.991   8.071   2.277
  115   1HB   ALA  20          1HB       ALA  20   3.631  10.071   1.345
  116   2HB   ALA  20          2HB       ALA  20   2.205  10.162   2.379
  117   3HB   ALA  20          3HB       ALA  20   2.054   9.591   0.717
  118    H    GLY  21           H        GLY  21   2.311   5.921   3.009
  119   1HA   GLY  21          2HA       GLY  21   0.380   6.890   4.933
  120   2HA   GLY  21          1HA       GLY  21   0.787   5.212   4.616
  121    H    GLY  22           H        GLY  22   2.816   7.946   5.614
  122   1HA   GLY  22          2HA       GLY  22   4.006   8.339   7.541
  123   2HA   GLY  22          1HA       GLY  22   3.096   7.050   8.309
  Start of MODEL   15
    1   1H    GLY   1           H        GLY   1   4.237   6.257   5.953
    2   1HA   GLY   1          2HA       GLY   1   6.782   5.161   6.031
    3   2HA   GLY   1          1HA       GLY   1   5.717   5.283   7.416
    4    H    CYS   2           H        CYS   2   3.861   3.528   7.212
    5    HA   CYS   2           HA       CYS   2   5.164   1.008   7.465
    6   1HB   CYS   2          2HB       CYS   2   3.115   1.745   8.739
    7   2HB   CYS   2          1HB       CYS   2   2.192   1.525   7.263
    8    H    CYS   3           H        CYS   3   3.256   2.567   5.032
    9    HA   CYS   3           HA       CYS   3   2.702   0.402   3.370
   10   1HB   CYS   3          2HB       CYS   3   3.074   3.309   2.661
   11   2HB   CYS   3          1HB       CYS   3   2.305   2.096   1.636
   12    H    SER   4           H        SER   4   5.698   1.865   4.012
   13    HA   SER   4           HA       SER   4   6.992   1.492   1.526
   14   1HB   SER   4          2HB       SER   4   7.913   2.868   3.409
   15   2HB   SER   4          1HB       SER   4   8.221   1.377   4.298
   16    HG   SER   4           HG       SER   4   9.398   0.850   2.162
   17    H    ASN   5           H        ASN   5   5.990  -0.586   4.078
   18    HA   ASN   5           HA       ASN   5   7.618  -2.836   3.199
   19   1HB   ASN   5          2HB       ASN   5   5.460  -2.617   5.315
   20   2HB   ASN   5          1HB       ASN   5   6.402  -4.069   4.993
   21   1HD2  ASN   5          1HD2      ASN   5   6.171  -1.381   6.890
   22   2HD2  ASN   5          2HD2      ASN   5   7.792  -1.320   7.484
   23    HA   PRO   6           HA       PRO   6   4.720  -4.049   0.053
   24   1HB   PRO   6          2HB       PRO   6   5.771  -6.754   0.738
   25   2HB   PRO   6          1HB       PRO   6   5.628  -5.966  -0.837
   26   1HG   PRO   6          2HG       PRO   6   7.994  -6.165   0.360
   27   2HG   PRO   6          1HG       PRO   6   7.545  -4.694  -0.524
   28   1HD   PRO   6          2HD       PRO   6   7.645  -5.185   2.419
   29   2HD   PRO   6          1HD       PRO   6   8.042  -3.716   1.504
   30    H    VAL   7           H        VAL   7   4.967  -6.002   3.018
   31    HA   VAL   7           HA       VAL   7   2.476  -7.296   2.776
   32    HB   VAL   7           HB       VAL   7   3.768  -6.594   5.405
   33   1HG1  VAL   7          1HG1      VAL   7   2.682  -8.489   6.268
   34   2HG1  VAL   7          2HG1      VAL   7   2.303  -9.109   4.658
   35   3HG1  VAL   7          3HG1      VAL   7   1.476  -7.675   5.269
   36   1HG2  VAL   7          1HG2      VAL   7   5.431  -8.112   5.153
   37   2HG2  VAL   7          2HG2      VAL   7   5.209  -7.744   3.442
   38   3HG2  VAL   7          3HG2      VAL   7   4.454  -9.177   4.142
   39    H    CYS   8           H        CYS   8   3.459  -4.493   4.703
   40    HA   CYS   8           HA       CYS   8   0.925  -3.886   5.728
   41   1HB   CYS   8          2HB       CYS   8   3.113  -2.986   6.572
   42   2HB   CYS   8          1HB       CYS   8   3.137  -1.902   5.185
   43    H    HIS   9           H        HIS   9   2.561  -2.803   2.790
   44    HA   HIS   9           HA       HIS   9   0.710  -0.848   2.010
   45   1HB   HIS   9          2HB       HIS   9   3.014  -1.357   1.012
   46   2HB   HIS   9          1HB       HIS   9   2.198  -2.604   0.072
   47    HD1  HIS   9           1HD      HIS   9  -0.211  -1.328  -1.044
   48    HD2  HIS   9           2HD      HIS   9   3.328   0.804  -0.562
   49    HE1  HIS   9           1HE      HIS   9  -0.363   0.606  -2.645
   50    HE2  HIS   9           2HE      HIS   9   1.710   1.968  -2.211
   51    H    LEU  10           H        LEU  10   0.834  -4.312   1.250
   52    HA   LEU  10           HA       LEU  10  -1.523  -4.211  -0.379
   53   1HB   LEU  10          2HB       LEU  10  -0.055  -6.563   0.812
   54   2HB   LEU  10          1HB       LEU  10  -1.351  -6.682  -0.362
   55    HG   LEU  10           HG       LEU  10   1.324  -5.363  -0.839
   56   1HD1  LEU  10          1HD1      LEU  10   1.682  -7.269  -2.374
   57   2HD1  LEU  10          2HD1      LEU  10   0.201  -8.003  -1.760
   58   3HD1  LEU  10          3HD1      LEU  10   1.573  -7.751  -0.682
   59   1HD2  LEU  10          1HD2      LEU  10  -1.023  -4.775  -2.087
   60   2HD2  LEU  10          2HD2      LEU  10  -0.388  -6.061  -3.112
   61   3HD2  LEU  10          3HD2      LEU  10   0.575  -4.613  -2.814
   62    H    GLU  11           H        GLU  11  -0.819  -5.526   2.846
   63    HA   GLU  11           HA       GLU  11  -3.393  -6.448   3.447
   64   1HB   GLU  11          2HB       GLU  11  -1.427  -7.112   4.718
   65   2HB   GLU  11          1HB       GLU  11  -1.192  -5.462   5.269
   66   1HG   GLU  11          2HG       GLU  11  -3.346  -5.596   6.468
   67   2HG   GLU  11          1HG       GLU  11  -3.476  -7.286   5.978
   68    H    HIS  12           H        HIS  12  -1.862  -3.319   4.075
   69    HA   HIS  12           HA       HIS  12  -4.466  -2.288   4.975
   70   1HB   HIS  12          2HB       HIS  12  -1.759  -0.980   5.309
   71   2HB   HIS  12          1HB       HIS  12  -3.269  -0.508   6.074
   72    HD1  HIS  12           1HD      HIS  12  -4.207  -2.148   7.932
   73    HD2  HIS  12           2HD      HIS  12  -0.357  -2.987   6.618
   74    HE1  HIS  12           1HE      HIS  12  -3.268  -3.774   9.596
   75    HE2  HIS  12           2HE      HIS  12  -1.103  -4.528   8.549
   76    H    SER  13           H        SER  13  -4.264  -2.721   2.320
   77    HA   SER  13           HA       SER  13  -3.257  -0.711   0.697
   78   1HB   SER  13          2HB       SER  13  -5.354  -1.446  -0.754
   79   2HB   SER  13          1HB       SER  13  -3.991  -2.537  -0.502
   80    HG   SER  13           HG       SER  13  -5.243  -3.818   0.593
   81    H    ASN  14           H        ASN  14  -6.158  -0.819   2.618
   82    HA   ASN  14           HA       ASN  14  -7.564   1.343   1.536
   83   1HB   ASN  14          2HB       ASN  14  -8.594  -0.189   3.124
   84   2HB   ASN  14          1HB       ASN  14  -7.468   0.307   4.380
   85   1HD2  ASN  14          1HD2      ASN  14 -10.498   0.767   3.083
   86   2HD2  ASN  14          2HD2      ASN  14 -10.900   2.255   3.863
   87    H    LEU  15           H        LEU  15  -5.046   1.229   4.040
   88    HA   LEU  15           HA       LEU  15  -5.136   4.089   4.422
   89   1HB   LEU  15          2HB       LEU  15  -3.243   1.962   5.428
   90   2HB   LEU  15          1HB       LEU  15  -3.058   3.664   5.801
   91    HG   LEU  15           HG       LEU  15  -4.083   2.704   7.688
   92   1HD1  LEU  15          1HD1      LEU  15  -6.608   3.552   7.271
   93   2HD1  LEU  15          2HD1      LEU  15  -5.769   4.371   5.955
   94   3HD1  LEU  15          3HD1      LEU  15  -5.248   4.618   7.622
   95   1HD2  LEU  15          1HD2      LEU  15  -6.510   1.612   6.566
   96   2HD2  LEU  15          2HD2      LEU  15  -5.343   0.877   7.666
   97   3HD2  LEU  15          3HD2      LEU  15  -5.079   0.807   5.924
   98    H    CYS  16           H        CYS  16  -3.108   1.742   2.808
   99    HA   CYS  16           HA       CYS  16  -1.163   3.648   1.909
  100   1HB   CYS  16          2HB       CYS  16  -1.639   0.768   1.127
  101   2HB   CYS  16          1HB       CYS  16  -0.219   1.720   0.698
  102    H    GLY  17           H        GLY  17  -3.703   4.459   1.096
  103   1HA   GLY  17          2HA       GLY  17  -3.289   5.130  -1.560
  104   2HA   GLY  17          1HA       GLY  17  -4.292   3.686  -1.577
  105    H    GLY  18           H        GLY  18  -5.889   4.112   0.621
  106   1HA   GLY  18          2HA       GLY  18  -7.766   5.984  -0.461
  107   2HA   GLY  18          1HA       GLY  18  -7.975   5.011   0.985
  108    H    ALA  19           H        ALA  19  -5.696   5.965   2.432
  109    HA   ALA  19           HA       ALA  19  -6.740   8.602   3.122
  110   1HB   ALA  19          1HB       ALA  19  -4.738   7.308   4.863
  111   2HB   ALA  19          2HB       ALA  19  -6.305   6.509   4.731
  112   3HB   ALA  19          3HB       ALA  19  -6.211   8.182   5.281
  113    H    ALA  20           H        ALA  20  -3.542   7.333   3.720
  114    HA   ALA  20           HA       ALA  20  -2.049   8.672   1.794
  115   1HB   ALA  20          1HB       ALA  20  -3.075  10.689   2.991
  116   2HB   ALA  20          2HB       ALA  20  -1.326  10.691   2.758
  117   3HB   ALA  20          3HB       ALA  20  -2.005  10.283   4.334
  118    H    GLY  21           H        GLY  21  -1.901   6.224   3.068
  119   1HA   GLY  21          2HA       GLY  21   0.023   6.210   5.174
  120   2HA   GLY  21          1HA       GLY  21  -0.486   4.823   4.224
  121    H    GLY  22           H        GLY  22   2.213   5.957   5.129
  122   1HA   GLY  22          2HA       GLY  22   3.498   5.525   2.533
  123   2HA   GLY  22          1HA       GLY  22   3.891   6.995   3.408
  Start of MODEL   16
    1   1H    GLY   1           H        GLY   1   4.080   6.157   5.790
    2   1HA   GLY   1          2HA       GLY   1   6.741   5.251   5.706
    3   2HA   GLY   1          1HA       GLY   1   5.780   5.428   7.163
    4    H    CYS   2           H        CYS   2   3.831   3.618   6.868
    5    HA   CYS   2           HA       CYS   2   5.191   1.130   7.329
    6   1HB   CYS   2          2HB       CYS   2   3.105   1.913   8.539
    7   2HB   CYS   2          1HB       CYS   2   2.214   1.594   7.060
    8    H    CYS   3           H        CYS   3   3.349   2.620   4.823
    9    HA   CYS   3           HA       CYS   3   2.753   0.460   3.181
   10   1HB   CYS   3          2HB       CYS   3   3.390   3.279   2.318
   11   2HB   CYS   3          1HB       CYS   3   2.413   2.099   1.444
   12    H    SER   4           H        SER   4   5.798   1.883   3.835
   13    HA   SER   4           HA       SER   4   7.145   1.337   1.417
   14   1HB   SER   4          2HB       SER   4   8.286   1.341   4.226
   15   2HB   SER   4          1HB       SER   4   9.190   1.554   2.726
   16    HG   SER   4           HG       SER   4   7.129   3.315   2.920
   17    H    ASN   5           H        ASN   5   6.044  -0.605   4.039
   18    HA   ASN   5           HA       ASN   5   7.653  -2.917   3.303
   19   1HB   ASN   5          2HB       ASN   5   5.440  -2.576   5.346
   20   2HB   ASN   5          1HB       ASN   5   6.372  -4.050   5.116
   21   1HD2  ASN   5          1HD2      ASN   5   6.115  -1.291   6.895
   22   2HD2  ASN   5          2HD2      ASN   5   7.718  -1.218   7.532
   23    HA   PRO   6           HA       PRO   6   4.803  -4.218   0.154
   24   1HB   PRO   6          2HB       PRO   6   5.427  -6.932   0.388
   25   2HB   PRO   6          1HB       PRO   6   6.240  -5.766  -0.660
   26   1HG   PRO   6          2HG       PRO   6   7.037  -6.780   2.028
   27   2HG   PRO   6          1HG       PRO   6   8.052  -6.372   0.633
   28   1HD   PRO   6          2HD       PRO   6   7.871  -4.738   2.744
   29   2HD   PRO   6          1HD       PRO   6   7.983  -4.096   1.092
   30    H    VAL   7           H        VAL   7   4.987  -5.991   3.223
   31    HA   VAL   7           HA       VAL   7   2.503  -7.311   2.989
   32    HB   VAL   7           HB       VAL   7   3.767  -6.473   5.596
   33   1HG1  VAL   7          1HG1      VAL   7   1.727  -8.455   4.760
   34   2HG1  VAL   7          2HG1      VAL   7   1.813  -7.456   6.210
   35   3HG1  VAL   7          3HG1      VAL   7   2.813  -8.902   6.076
   36   1HG2  VAL   7          1HG2      VAL   7   5.296  -8.207   5.525
   37   2HG2  VAL   7          2HG2      VAL   7   5.318  -7.638   3.855
   38   3HG2  VAL   7          3HG2      VAL   7   4.403  -9.084   4.283
   39    H    CYS   8           H        CYS   8   3.445  -4.407   4.790
   40    HA   CYS   8           HA       CYS   8   0.899  -3.737   5.734
   41   1HB   CYS   8          2HB       CYS   8   3.186  -2.781   6.423
   42   2HB   CYS   8          1HB       CYS   8   2.993  -1.685   5.057
   43    H    HIS   9           H        HIS   9   2.583  -2.801   2.770
   44    HA   HIS   9           HA       HIS   9   0.774  -0.888   1.849
   45   1HB   HIS   9          2HB       HIS   9   3.053  -1.465   0.887
   46   2HB   HIS   9          1HB       HIS   9   2.264  -2.805   0.061
   47    HD1  HIS   9           1HD      HIS   9  -0.162  -1.656  -1.181
   48    HD2  HIS   9           2HD      HIS   9   3.370   0.525  -0.895
   49    HE1  HIS   9           1HE      HIS   9  -0.307   0.102  -2.971
   50    HE2  HIS   9           2HE      HIS   9   1.778   1.488  -2.693
   51    H    LEU  10           H        LEU  10   0.815  -4.398   1.224
   52    HA   LEU  10           HA       LEU  10  -1.590  -4.255  -0.344
   53   1HB   LEU  10          2HB       LEU  10   0.204  -6.451   0.576
   54   2HB   LEU  10          1HB       LEU  10  -1.405  -6.858   0.016
   55    HG   LEU  10           HG       LEU  10   0.156  -7.132  -1.795
   56   1HD1  LEU  10          1HD1      LEU  10  -0.816  -5.596  -3.459
   57   2HD1  LEU  10          2HD1      LEU  10  -1.544  -4.671  -2.145
   58   3HD1  LEU  10          3HD1      LEU  10  -2.030  -6.344  -2.421
   59   1HD2  LEU  10          1HD2      LEU  10   1.986  -5.770  -1.242
   60   2HD2  LEU  10          2HD2      LEU  10   0.986  -4.322  -1.136
   61   3HD2  LEU  10          3HD2      LEU  10   1.312  -5.056  -2.707
   62    H    GLU  11           H        GLU  11  -0.789  -5.577   2.855
   63    HA   GLU  11           HA       GLU  11  -3.336  -6.512   3.526
   64   1HB   GLU  11          2HB       GLU  11  -1.283  -7.097   4.742
   65   2HB   GLU  11          1HB       GLU  11  -1.161  -5.450   5.338
   66   1HG   GLU  11          2HG       GLU  11  -3.304  -5.764   6.524
   67   2HG   GLU  11          1HG       GLU  11  -3.316  -7.445   5.992
   68    H    HIS  12           H        HIS  12  -1.923  -3.306   3.789
   69    HA   HIS  12           HA       HIS  12  -4.521  -2.326   4.783
   70   1HB   HIS  12          2HB       HIS  12  -1.839  -1.006   5.235
   71   2HB   HIS  12          1HB       HIS  12  -3.378  -0.567   5.961
   72    HD1  HIS  12           1HD      HIS  12  -4.392  -2.377   7.674
   73    HD2  HIS  12           2HD      HIS  12  -0.406  -2.896   6.630
   74    HE1  HIS  12           1HE      HIS  12  -3.458  -3.979   9.363
   75    HE2  HIS  12           2HE      HIS  12  -1.174  -4.543   8.466
   76    H    SER  13           H        SER  13  -4.244  -2.674   2.105
   77    HA   SER  13           HA       SER  13  -3.166  -0.587   0.613
   78   1HB   SER  13          2HB       SER  13  -5.623  -2.266   0.050
   79   2HB   SER  13          1HB       SER  13  -4.824  -1.232  -1.135
   80    HG   SER  13           HG       SER  13  -3.881  -3.598   0.089
   81    H    ASN  14           H        ASN  14  -6.224  -0.826   2.311
   82    HA   ASN  14           HA       ASN  14  -7.476   1.462   1.266
   83   1HB   ASN  14          2HB       ASN  14  -7.799   0.212   4.005
   84   2HB   ASN  14          1HB       ASN  14  -8.902   1.374   3.278
   85   1HD2  ASN  14          1HD2      ASN  14 -10.632   0.518   2.393
   86   2HD2  ASN  14          2HD2      ASN  14 -10.758  -1.071   1.729
   87    H    LEU  15           H        LEU  15  -5.196   1.028   3.922
   88    HA   LEU  15           HA       LEU  15  -5.424   3.762   4.804
   89   1HB   LEU  15          2HB       LEU  15  -3.380   1.642   5.475
   90   2HB   LEU  15          1HB       LEU  15  -3.523   3.195   6.275
   91    HG   LEU  15           HG       LEU  15  -5.605   1.009   6.307
   92   1HD1  LEU  15          1HD1      LEU  15  -3.266   1.504   7.915
   93   2HD1  LEU  15          2HD1      LEU  15  -4.385   0.142   7.947
   94   3HD1  LEU  15          3HD1      LEU  15  -4.735   1.590   8.887
   95   1HD2  LEU  15          1HD2      LEU  15  -6.045   2.903   8.333
   96   2HD2  LEU  15          2HD2      LEU  15  -7.043   2.588   6.914
   97   3HD2  LEU  15          3HD2      LEU  15  -5.782   3.819   6.848
   98    H    CYS  16           H        CYS  16  -3.271   1.848   2.829
   99    HA   CYS  16           HA       CYS  16  -1.396   3.994   2.420
  100   1HB   CYS  16          2HB       CYS  16  -1.644   1.220   1.259
  101   2HB   CYS  16          1HB       CYS  16  -0.355   2.339   0.822
  102    H    GLY  17           H        GLY  17  -3.974   4.748   1.672
  103   1HA   GLY  17          2HA       GLY  17  -4.138   4.593  -1.229
  104   2HA   GLY  17          1HA       GLY  17  -5.286   5.382  -0.158
  105    H    GLY  18           H        GLY  18  -1.781   5.823  -0.451
  106   1HA   GLY  18          2HA       GLY  18  -0.558   7.642  -1.186
  107   2HA   GLY  18          1HA       GLY  18  -2.048   8.345  -1.801
  108    H    ALA  19           H        ALA  19  -2.811  10.060  -0.792
  109    HA   ALA  19           HA       ALA  19  -3.087  11.757   0.682
  110   1HB   ALA  19          1HB       ALA  19  -4.187  10.901   2.401
  111   2HB   ALA  19          2HB       ALA  19  -2.651  10.564   3.196
  112   3HB   ALA  19          3HB       ALA  19  -3.397   9.342   2.169
  113    H    ALA  20           H        ALA  20  -0.357  11.033  -0.244
  114    HA   ALA  20           HA       ALA  20   1.787  11.721  -0.016
  115   1HB   ALA  20          1HB       ALA  20   0.158  13.819   1.151
  116   2HB   ALA  20          2HB       ALA  20   1.561  13.933   0.087
  117   3HB   ALA  20          3HB       ALA  20   1.786  13.777   1.829
  118    H    GLY  21           H        GLY  21   0.957   9.571   1.653
  119   1HA   GLY  21          2HA       GLY  21   3.115   9.690   3.588
  120   2HA   GLY  21          1HA       GLY  21   1.505   9.522   4.279
  121    H    GLY  22           H        GLY  22   3.964   7.701   4.029
  122   1HA   GLY  22          2HA       GLY  22   2.467   5.293   3.727
  123   2HA   GLY  22          1HA       GLY  22   3.485   5.586   2.325
  Start of MODEL   17
    1   1H    GLY   1           H        GLY   1   4.933   6.344   5.894
    2   1HA   GLY   1          2HA       GLY   1   7.231   4.837   6.141
    3   2HA   GLY   1          1HA       GLY   1   6.091   5.105   7.442
    4    H    CYS   2           H        CYS   2   3.975   3.668   6.948
    5    HA   CYS   2           HA       CYS   2   4.866   0.983   7.285
    6   1HB   CYS   2          2HB       CYS   2   2.762   2.126   8.274
    7   2HB   CYS   2          1HB       CYS   2   2.010   1.751   6.728
    8    H    CYS   3           H        CYS   3   3.494   2.833   4.679
    9    HA   CYS   3           HA       CYS   3   2.792   0.817   2.894
   10   1HB   CYS   3          2HB       CYS   3   3.884   3.526   2.142
   11   2HB   CYS   3          1HB       CYS   3   2.769   2.522   1.218
   12    H    SER   4           H        SER   4   5.920   1.985   3.793
   13    HA   SER   4           HA       SER   4   7.384   1.266   1.498
   14   1HB   SER   4          2HB       SER   4   8.315   1.296   4.382
   15   2HB   SER   4          1HB       SER   4   9.348   1.351   2.953
   16    HG   SER   4           HG       SER   4   7.345   3.291   3.225
   17    H    ASN   5           H        ASN   5   6.003  -0.563   4.074
   18    HA   ASN   5           HA       ASN   5   7.546  -2.956   3.482
   19   1HB   ASN   5          2HB       ASN   5   5.259  -2.454   5.404
   20   2HB   ASN   5          1HB       ASN   5   6.098  -3.993   5.237
   21   1HD2  ASN   5          1HD2      ASN   5   5.943  -1.212   6.982
   22   2HD2  ASN   5          2HD2      ASN   5   7.522  -1.227   7.681
   23    HA   PRO   6           HA       PRO   6   4.801  -4.168   0.194
   24   1HB   PRO   6          2HB       PRO   6   5.792  -6.868   0.964
   25   2HB   PRO   6          1HB       PRO   6   5.759  -6.090  -0.622
   26   1HG   PRO   6          2HG       PRO   6   8.041  -6.318   0.728
   27   2HG   PRO   6          1HG       PRO   6   7.676  -4.851  -0.200
   28   1HD   PRO   6          2HD       PRO   6   7.564  -5.306   2.749
   29   2HD   PRO   6          1HD       PRO   6   8.066  -3.862   1.849
   30    H    VAL   7           H        VAL   7   4.916  -5.952   3.254
   31    HA   VAL   7           HA       VAL   7   2.449  -7.289   2.954
   32    HB   VAL   7           HB       VAL   7   3.678  -6.468   5.585
   33   1HG1  VAL   7          1HG1      VAL   7   2.404  -8.092   6.575
   34   2HG1  VAL   7          2HG1      VAL   7   2.275  -9.049   5.099
   35   3HG1  VAL   7          3HG1      VAL   7   1.320  -7.578   5.282
   36   1HG2  VAL   7          1HG2      VAL   7   4.285  -9.131   4.432
   37   2HG2  VAL   7          2HG2      VAL   7   5.263  -8.096   5.472
   38   3HG2  VAL   7          3HG2      VAL   7   5.136  -7.747   3.748
   39    H    CYS   8           H        CYS   8   3.325  -4.381   4.795
   40    HA   CYS   8           HA       CYS   8   0.725  -3.747   5.639
   41   1HB   CYS   8          2HB       CYS   8   2.823  -2.767   6.588
   42   2HB   CYS   8          1HB       CYS   8   2.961  -1.778   5.134
   43    H    HIS   9           H        HIS   9   2.519  -2.827   2.743
   44    HA   HIS   9           HA       HIS   9   0.775  -0.884   1.758
   45   1HB   HIS   9          2HB       HIS   9   3.091  -1.593   0.891
   46   2HB   HIS   9          1HB       HIS   9   2.225  -2.830  -0.017
   47    HD1  HIS   9           1HD      HIS   9  -0.057  -1.450  -1.277
   48    HD2  HIS   9           2HD      HIS   9   3.609   0.454  -0.776
   49    HE1  HIS   9           1HE      HIS   9  -0.013   0.393  -2.988
   50    HE2  HIS   9           2HE      HIS   9   2.251   1.467  -2.732
   51    H    LEU  10           H        LEU  10   0.768  -4.399   1.225
   52    HA   LEU  10           HA       LEU  10  -1.605  -4.266  -0.409
   53   1HB   LEU  10          2HB       LEU  10   0.157  -6.462   0.584
   54   2HB   LEU  10          1HB       LEU  10  -1.441  -6.862  -0.010
   55    HG   LEU  10           HG       LEU  10  -0.870  -5.805  -2.182
   56   1HD1  LEU  10          1HD1      LEU  10   1.247  -5.008  -2.712
   57   2HD1  LEU  10          2HD1      LEU  10   1.989  -5.757  -1.298
   58   3HD1  LEU  10          3HD1      LEU  10   0.951  -4.345  -1.105
   59   1HD2  LEU  10          1HD2      LEU  10  -0.054  -7.746  -2.953
   60   2HD2  LEU  10          2HD2      LEU  10  -0.263  -8.283  -1.286
   61   3HD2  LEU  10          3HD2      LEU  10   1.317  -7.731  -1.843
   62    H    GLU  11           H        GLU  11  -0.846  -5.585   2.804
   63    HA   GLU  11           HA       GLU  11  -3.393  -6.481   3.502
   64   1HB   GLU  11          2HB       GLU  11  -1.333  -7.037   4.724
   65   2HB   GLU  11          1HB       GLU  11  -1.208  -5.374   5.277
   66   1HG   GLU  11          2HG       GLU  11  -3.378  -5.681   6.461
   67   2HG   GLU  11          1HG       GLU  11  -3.313  -7.388   6.019
   68    H    HIS  12           H        HIS  12  -1.866  -3.334   4.028
   69    HA   HIS  12           HA       HIS  12  -4.472  -2.271   4.883
   70   1HB   HIS  12          2HB       HIS  12  -1.728  -1.059   5.279
   71   2HB   HIS  12          1HB       HIS  12  -3.242  -0.434   5.914
   72    HD1  HIS  12           1HD      HIS  12  -4.401  -1.868   7.809
   73    HD2  HIS  12           2HD      HIS  12  -0.554  -3.062   6.799
   74    HE1  HIS  12           1HE      HIS  12  -3.683  -3.427   9.635
   75    HE2  HIS  12           2HE      HIS  12  -1.532  -4.410   8.782
   76    H    SER  13           H        SER  13  -4.264  -2.743   2.258
   77    HA   SER  13           HA       SER  13  -3.176  -0.769   0.624
   78   1HB   SER  13          2HB       SER  13  -5.173  -1.498  -0.910
   79   2HB   SER  13          1HB       SER  13  -3.911  -2.664  -0.511
   80    HG   SER  13           HG       SER  13  -5.321  -3.810   0.543
   81    H    ASN  14           H        ASN  14  -6.149  -0.859   2.451
   82    HA   ASN  14           HA       ASN  14  -7.366   1.423   1.286
   83   1HB   ASN  14          2HB       ASN  14  -7.781   0.069   3.955
   84   2HB   ASN  14          1HB       ASN  14  -8.751   1.428   3.400
   85   1HD2  ASN  14          1HD2      ASN  14  -8.002  -0.233   0.685
   86   2HD2  ASN  14          2HD2      ASN  14  -9.372  -1.279   0.596
   87    H    LEU  15           H        LEU  15  -5.148   0.943   3.987
   88    HA   LEU  15           HA       LEU  15  -5.319   3.649   4.910
   89   1HB   LEU  15          2HB       LEU  15  -3.395   1.400   5.468
   90   2HB   LEU  15          1HB       LEU  15  -3.156   3.005   6.129
   91    HG   LEU  15           HG       LEU  15  -5.448   2.777   7.195
   92   1HD1  LEU  15          1HD1      LEU  15  -6.177   0.887   5.727
   93   2HD1  LEU  15          2HD1      LEU  15  -6.412   0.616   7.454
   94   3HD1  LEU  15          3HD1      LEU  15  -5.063  -0.152   6.618
   95   1HD2  LEU  15          1HD2      LEU  15  -4.470   0.993   8.870
   96   2HD2  LEU  15          2HD2      LEU  15  -3.776   2.608   8.738
   97   3HD2  LEU  15          3HD2      LEU  15  -3.006   1.248   7.921
   98    H    CYS  16           H        CYS  16  -3.030   1.797   2.958
   99    HA   CYS  16           HA       CYS  16  -1.477   4.184   2.387
  100   1HB   CYS  16          2HB       CYS  16  -1.165   1.275   1.662
  101   2HB   CYS  16          1HB       CYS  16  -0.125   2.525   0.989
  102    H    GLY  17           H        GLY  17  -4.194   4.150   1.501
  103   1HA   GLY  17          2HA       GLY  17  -3.996   3.821  -1.401
  104   2HA   GLY  17          1HA       GLY  17  -5.473   4.093  -0.488
  105    H    GLY  18           H        GLY  18  -3.840   5.467  -2.777
  106   1HA   GLY  18          2HA       GLY  18  -3.729   7.603  -3.602
  107   2HA   GLY  18          1HA       GLY  18  -4.845   8.063  -2.329
  108    H    ALA  19           H        ALA  19  -1.752   6.620  -1.637
  109    HA   ALA  19           HA       ALA  19   0.100   7.343  -0.555
  110   1HB   ALA  19          1HB       ALA  19   1.195   9.116  -1.462
  111   2HB   ALA  19          2HB       ALA  19  -0.235  10.148  -1.455
  112   3HB   ALA  19          3HB       ALA  19  -0.050   8.907  -2.695
  113    H    ALA  20           H        ALA  20  -2.126   7.227   1.009
  114    HA   ALA  20           HA       ALA  20  -2.324   9.666   2.569
  115   1HB   ALA  20          1HB       ALA  20  -4.181   8.754   3.573
  116   2HB   ALA  20          2HB       ALA  20  -3.591   7.100   3.413
  117   3HB   ALA  20          3HB       ALA  20  -4.221   7.951   2.004
  118    H    GLY  21           H        GLY  21   0.168   8.097   2.369
  119   1HA   GLY  21          2HA       GLY  21   1.087   8.385   4.999
  120   2HA   GLY  21          1HA       GLY  21   0.698   6.687   4.747
  121    H    GLY  22           H        GLY  22   2.797   5.919   4.812
  122   1HA   GLY  22          2HA       GLY  22   4.218   5.738   2.463
  123   2HA   GLY  22          1HA       GLY  22   4.908   7.115   3.306
  Start of MODEL   18
    1   1H    GLY   1           H        GLY   1   5.679   5.860   4.986
    2   1HA   GLY   1          2HA       GLY   1   7.512   4.583   5.529
    3   2HA   GLY   1          1HA       GLY   1   7.037   4.694   7.211
    4    H    CYS   2           H        CYS   2   4.677   3.453   7.326
    5    HA   CYS   2           HA       CYS   2   5.364   0.720   7.283
    6   1HB   CYS   2          2HB       CYS   2   3.596   1.830   8.734
    7   2HB   CYS   2          1HB       CYS   2   2.543   1.815   7.326
    8    H    CYS   3           H        CYS   3   3.402   2.689   5.142
    9    HA   CYS   3           HA       CYS   3   2.412   0.749   3.428
   10   1HB   CYS   3          2HB       CYS   3   3.197   3.425   2.374
   11   2HB   CYS   3          1HB       CYS   3   1.715   2.512   2.123
   12    H    SER   4           H        SER   4   5.628   1.992   3.669
   13    HA   SER   4           HA       SER   4   6.460   1.396   1.014
   14   1HB   SER   4          2HB       SER   4   8.170   1.645   3.498
   15   2HB   SER   4          1HB       SER   4   8.689   1.852   1.823
   16    HG   SER   4           HG       SER   4   6.849   3.539   1.908
   17    H    ASN   5           H        ASN   5   5.835  -0.495   3.773
   18    HA   ASN   5           HA       ASN   5   7.567  -2.695   2.985
   19   1HB   ASN   5          2HB       ASN   5   5.536  -2.405   5.212
   20   2HB   ASN   5          1HB       ASN   5   6.481  -3.863   4.929
   21   1HD2  ASN   5          1HD2      ASN   5   6.322  -1.089   6.675
   22   2HD2  ASN   5          2HD2      ASN   5   7.980  -0.942   7.131
   23    HA   PRO   6           HA       PRO   6   4.715  -4.461   0.097
   24   1HB   PRO   6          2HB       PRO   6   5.831  -7.003   1.192
   25   2HB   PRO   6          1HB       PRO   6   5.646  -6.486  -0.487
   26   1HG   PRO   6          2HG       PRO   6   8.028  -6.420   0.689
   27   2HG   PRO   6          1HG       PRO   6   7.524  -5.125  -0.412
   28   1HD   PRO   6          2HD       PRO   6   7.698  -5.125   2.564
   29   2HD   PRO   6          1HD       PRO   6   7.997  -3.806   1.414
   30    H    VAL   7           H        VAL   7   4.954  -5.985   3.313
   31    HA   VAL   7           HA       VAL   7   2.460  -7.306   3.193
   32    HB   VAL   7           HB       VAL   7   3.710  -6.333   5.751
   33   1HG1  VAL   7          1HG1      VAL   7   2.699  -8.259   6.733
   34   2HG1  VAL   7          2HG1      VAL   7   2.240  -8.893   5.153
   35   3HG1  VAL   7          3HG1      VAL   7   1.471  -7.432   5.774
   36   1HG2  VAL   7          1HG2      VAL   7   5.354  -7.473   4.107
   37   2HG2  VAL   7          2HG2      VAL   7   4.472  -8.950   4.495
   38   3HG2  VAL   7          3HG2      VAL   7   5.289  -8.047   5.772
   39    H    CYS   8           H        CYS   8   3.446  -4.367   4.895
   40    HA   CYS   8           HA       CYS   8   0.901  -3.632   5.799
   41   1HB   CYS   8          2HB       CYS   8   3.107  -2.751   6.616
   42   2HB   CYS   8          1HB       CYS   8   3.179  -1.755   5.169
   43    H    HIS   9           H        HIS   9   2.599  -2.879   2.805
   44    HA   HIS   9           HA       HIS   9   0.873  -0.897   1.838
   45   1HB   HIS   9          2HB       HIS   9   3.173  -1.695   0.936
   46   2HB   HIS   9          1HB       HIS   9   2.230  -2.863   0.017
   47    HD1  HIS   9           1HD      HIS   9   3.109  -1.609  -2.155
   48    HD2  HIS   9           2HD      HIS   9   0.653   0.639   0.325
   49    HE1  HIS   9           1HE      HIS   9   2.387   0.368  -3.532
   50    HE2  HIS   9           2HE      HIS   9   0.732   1.597  -2.075
   51    H    LEU  10           H        LEU  10   0.841  -4.417   1.225
   52    HA   LEU  10           HA       LEU  10  -1.571  -4.232  -0.329
   53   1HB   LEU  10          2HB       LEU  10   0.186  -6.466   0.584
   54   2HB   LEU  10          1HB       LEU  10  -1.422  -6.834  -0.007
   55    HG   LEU  10           HG       LEU  10  -0.852  -5.697  -2.148
   56   1HD1  LEU  10          1HD1      LEU  10   2.002  -5.836  -1.884
   57   2HD1  LEU  10          2HD1      LEU  10   1.329  -4.717  -0.698
   58   3HD1  LEU  10          3HD1      LEU  10   0.989  -4.494  -2.414
   59   1HD2  LEU  10          1HD2      LEU  10   0.428  -8.143  -1.118
   60   2HD2  LEU  10          2HD2      LEU  10   1.075  -7.502  -2.628
   61   3HD2  LEU  10          3HD2      LEU  10  -0.635  -7.912  -2.505
   62    H    GLU  11           H        GLU  11  -0.779  -5.613   2.847
   63    HA   GLU  11           HA       GLU  11  -3.313  -6.535   3.541
   64   1HB   GLU  11          2HB       GLU  11  -1.226  -7.076   4.748
   65   2HB   GLU  11          1HB       GLU  11  -1.160  -5.430   5.358
   66   1HG   GLU  11          2HG       GLU  11  -2.002  -6.708   7.118
   67   2HG   GLU  11          1HG       GLU  11  -3.405  -5.891   6.434
   68    H    HIS  12           H        HIS  12  -2.042  -3.289   3.538
   69    HA   HIS  12           HA       HIS  12  -4.635  -2.361   4.568
   70   1HB   HIS  12          2HB       HIS  12  -2.035  -0.993   5.245
   71   2HB   HIS  12          1HB       HIS  12  -3.621  -0.702   5.939
   72    HD1  HIS  12           1HD      HIS  12  -4.614  -2.888   7.304
   73    HD2  HIS  12           2HD      HIS  12  -0.494  -2.712   6.732
   74    HE1  HIS  12           1HE      HIS  12  -3.629  -4.444   9.010
   75    HE2  HIS  12           2HE      HIS  12  -1.168  -4.480   8.491
   76    H    SER  13           H        SER  13  -4.115  -2.568   1.870
   77    HA   SER  13           HA       SER  13  -2.994  -0.290   0.663
   78   1HB   SER  13          2HB       SER  13  -5.222  -2.074  -0.351
   79   2HB   SER  13          1HB       SER  13  -4.295  -0.941  -1.334
   80    HG   SER  13           HG       SER  13  -2.536  -2.419  -0.066
   81    H    ASN  14           H        ASN  14  -6.029  -0.804   2.212
   82    HA   ASN  14           HA       ASN  14  -7.538   1.267   1.062
   83   1HB   ASN  14          2HB       ASN  14  -9.028   1.026   2.956
   84   2HB   ASN  14          1HB       ASN  14  -8.496  -0.567   2.431
   85   1HD2  ASN  14          1HD2      ASN  14  -9.210   1.104   5.060
   86   2HD2  ASN  14          2HD2      ASN  14  -8.140   0.387   6.210
   87    H    LEU  15           H        LEU  15  -5.154   1.276   3.659
   88    HA   LEU  15           HA       LEU  15  -5.669   4.155   4.043
   89   1HB   LEU  15          2HB       LEU  15  -4.192   2.200   5.811
   90   2HB   LEU  15          1HB       LEU  15  -4.396   3.908   6.149
   91    HG   LEU  15           HG       LEU  15  -6.651   1.909   5.943
   92   1HD1  LEU  15          1HD1      LEU  15  -4.826   2.478   8.071
   93   2HD1  LEU  15          2HD1      LEU  15  -6.167   1.333   8.027
   94   3HD1  LEU  15          3HD1      LEU  15  -6.448   3.001   8.525
   95   1HD2  LEU  15          1HD2      LEU  15  -6.956   4.555   7.239
   96   2HD2  LEU  15          2HD2      LEU  15  -8.118   3.600   6.319
   97   3HD2  LEU  15          3HD2      LEU  15  -6.876   4.526   5.479
   98    H    CYS  16           H        CYS  16  -3.139   1.768   3.582
   99    HA   CYS  16           HA       CYS  16  -1.166   3.835   3.084
  100   1HB   CYS  16          2HB       CYS  16  -1.094   0.956   3.760
  101   2HB   CYS  16          1HB       CYS  16   0.215   1.560   2.748
  102    H    GLY  17           H        GLY  17  -3.015   3.943   1.132
  103   1HA   GLY  17          2HA       GLY  17  -2.621   2.294  -1.107
  104   2HA   GLY  17          1HA       GLY  17  -3.202   3.954  -1.171
  105    H    GLY  18           H        GLY  18  -1.127   5.418  -0.318
  106   1HA   GLY  18          2HA       GLY  18   0.695   5.302  -2.542
  107   2HA   GLY  18          1HA       GLY  18   0.707   6.485  -1.241
  108    H    ALA  19           H        ALA  19   2.829   4.735  -2.554
  109    HA   ALA  19           HA       ALA  19   3.737   2.814  -0.731
  110   1HB   ALA  19          1HB       ALA  19   5.707   2.727  -1.975
  111   2HB   ALA  19          2HB       ALA  19   5.597   4.426  -2.438
  112   3HB   ALA  19          3HB       ALA  19   4.489   3.247  -3.142
  113    H    ALA  20           H        ALA  20   4.325   6.260  -0.910
  114    HA   ALA  20           HA       ALA  20   5.989   6.126   1.499
  115   1HB   ALA  20          1HB       ALA  20   7.215   7.700   0.526
  116   2HB   ALA  20          2HB       ALA  20   5.820   8.777   0.487
  117   3HB   ALA  20          3HB       ALA  20   6.131   7.688  -0.864
  118    H    GLY  21           H        GLY  21   3.148   5.719   1.557
  119   1HA   GLY  21          2HA       GLY  21   1.689   7.989   2.319
  120   2HA   GLY  21          1HA       GLY  21   1.308   6.338   2.780
  121    H    GLY  22           H        GLY  22   3.502   5.694   4.358
  122   1HA   GLY  22          2HA       GLY  22   4.077   7.709   6.281
  123   2HA   GLY  22          1HA       GLY  22   2.769   6.677   6.837
  Start of MODEL   19
    1   1H    GLY   1           H        GLY   1   4.522   5.234   5.986
    2   1HA   GLY   1          2HA       GLY   1   7.144   4.887   5.751
    3   2HA   GLY   1          1HA       GLY   1   6.967   4.745   7.491
    4    H    CYS   2           H        CYS   2   4.503   3.419   7.539
    5    HA   CYS   2           HA       CYS   2   5.289   0.749   7.406
    6   1HB   CYS   2          2HB       CYS   2   3.363   1.811   8.715
    7   2HB   CYS   2          1HB       CYS   2   2.422   1.668   7.239
    8    H    CYS   3           H        CYS   3   3.514   2.702   5.078
    9    HA   CYS   3           HA       CYS   3   2.686   0.695   3.336
   10   1HB   CYS   3          2HB       CYS   3   3.458   3.496   2.540
   11   2HB   CYS   3          1HB       CYS   3   2.325   2.429   1.724
   12    H    SER   4           H        SER   4   5.861   1.877   3.877
   13    HA   SER   4           HA       SER   4   6.979   1.369   1.321
   14   1HB   SER   4          2HB       SER   4   8.448   1.203   3.956
   15   2HB   SER   4          1HB       SER   4   9.100   1.641   2.375
   16    HG   SER   4           HG       SER   4   7.910   3.200   4.241
   17    H    ASN   5           H        ASN   5   6.065  -0.617   3.991
   18    HA   ASN   5           HA       ASN   5   7.627  -2.899   3.102
   19   1HB   ASN   5          2HB       ASN   5   5.522  -2.709   5.277
   20   2HB   ASN   5          1HB       ASN   5   6.590  -4.078   4.993
   21   1HD2  ASN   5          1HD2      ASN   5   8.281  -4.174   6.278
   22   2HD2  ASN   5          2HD2      ASN   5   9.048  -2.839   7.055
   23    HA   PRO   6           HA       PRO   6   4.659  -4.186   0.068
   24   1HB   PRO   6          2HB       PRO   6   5.711  -6.867   0.851
   25   2HB   PRO   6          1HB       PRO   6   5.514  -6.159  -0.758
   26   1HG   PRO   6          2HG       PRO   6   7.918  -6.297   0.363
   27   2HG   PRO   6          1HG       PRO   6   7.436  -4.868  -0.570
   28   1HD   PRO   6          2HD       PRO   6   7.657  -5.221   2.383
   29   2HD   PRO   6          1HD       PRO   6   7.990  -3.791   1.387
   30    H    VAL   7           H        VAL   7   4.911  -6.000   3.118
   31    HA   VAL   7           HA       VAL   7   2.410  -7.286   2.934
   32    HB   VAL   7           HB       VAL   7   3.728  -6.484   5.524
   33   1HG1  VAL   7          1HG1      VAL   7   2.463  -9.124   5.180
   34   2HG1  VAL   7          2HG1      VAL   7   1.377  -7.734   5.126
   35   3HG1  VAL   7          3HG1      VAL   7   2.404  -7.998   6.536
   36   1HG2  VAL   7          1HG2      VAL   7   4.801  -8.832   5.300
   37   2HG2  VAL   7          2HG2      VAL   7   5.535  -7.476   4.445
   38   3HG2  VAL   7          3HG2      VAL   7   4.515  -8.621   3.572
   39    H    CYS   8           H        CYS   8   3.420  -4.469   4.823
   40    HA   CYS   8           HA       CYS   8   0.884  -3.777   5.774
   41   1HB   CYS   8          2HB       CYS   8   3.030  -2.940   6.701
   42   2HB   CYS   8          1HB       CYS   8   3.220  -1.924   5.277
   43    H    HIS   9           H        HIS   9   2.600  -2.796   2.849
   44    HA   HIS   9           HA       HIS   9   0.864  -0.762   2.026
   45   1HB   HIS   9          2HB       HIS   9   3.158  -1.451   1.063
   46   2HB   HIS   9          1HB       HIS   9   2.245  -2.600   0.087
   47    HD1  HIS   9           1HD      HIS   9   3.016  -1.252  -2.048
   48    HD2  HIS   9           2HD      HIS   9   0.634   0.879   0.604
   49    HE1  HIS   9           1HE      HIS   9   2.238   0.774  -3.319
   50    HE2  HIS   9           2HE      HIS   9   0.610   1.914  -1.764
   51    H    LEU  10           H        LEU  10   0.831  -4.233   1.226
   52    HA   LEU  10           HA       LEU  10  -1.567  -3.966  -0.338
   53   1HB   LEU  10          2HB       LEU  10   0.204  -6.233   0.443
   54   2HB   LEU  10          1HB       LEU  10  -1.411  -6.589  -0.134
   55    HG   LEU  10           HG       LEU  10   0.146  -6.768  -1.963
   56   1HD1  LEU  10          1HD1      LEU  10  -1.373  -5.934  -3.340
   57   2HD1  LEU  10          2HD1      LEU  10  -0.912  -4.283  -2.926
   58   3HD1  LEU  10          3HD1      LEU  10  -2.121  -5.130  -1.960
   59   1HD2  LEU  10          1HD2      LEU  10   0.846  -3.866  -1.718
   60   2HD2  LEU  10          2HD2      LEU  10   1.655  -5.131  -2.641
   61   3HD2  LEU  10          3HD2      LEU  10   1.782  -5.105  -0.883
   62    H    GLU  11           H        GLU  11  -0.792  -5.446   2.805
   63    HA   GLU  11           HA       GLU  11  -3.333  -6.430   3.415
   64   1HB   GLU  11          2HB       GLU  11  -1.328  -7.009   4.691
   65   2HB   GLU  11          1HB       GLU  11  -1.205  -5.357   5.279
   66   1HG   GLU  11          2HG       GLU  11  -3.603  -5.817   6.200
   67   2HG   GLU  11          1HG       GLU  11  -3.116  -7.505   6.047
   68    H    HIS  12           H        HIS  12  -1.898  -3.262   4.066
   69    HA   HIS  12           HA       HIS  12  -4.542  -2.305   4.941
   70   1HB   HIS  12          2HB       HIS  12  -1.900  -0.887   5.313
   71   2HB   HIS  12          1HB       HIS  12  -3.428  -0.524   6.093
   72    HD1  HIS  12           1HD      HIS  12  -4.259  -2.285   7.912
   73    HD2  HIS  12           2HD      HIS  12  -0.343  -2.778   6.614
   74    HE1  HIS  12           1HE      HIS  12  -3.185  -3.812   9.585
   75    HE2  HIS  12           2HE      HIS  12  -0.953  -4.361   8.560
   76    H    SER  13           H        SER  13  -4.153  -2.727   2.242
   77    HA   SER  13           HA       SER  13  -3.173  -0.602   0.742
   78   1HB   SER  13          2HB       SER  13  -3.878  -2.821  -0.170
   79   2HB   SER  13          1HB       SER  13  -5.559  -2.329   0.040
   80    HG   SER  13           HG       SER  13  -4.723  -0.397  -1.292
   81    H    ASN  14           H        ASN  14  -6.166  -0.938   2.482
   82    HA   ASN  14           HA       ASN  14  -7.668   1.101   1.289
   83   1HB   ASN  14          2HB       ASN  14  -7.704   0.234   4.192
   84   2HB   ASN  14          1HB       ASN  14  -8.969   1.139   3.368
   85   1HD2  ASN  14          1HD2      ASN  14 -10.628  -0.030   2.747
   86   2HD2  ASN  14          2HD2      ASN  14 -10.598  -1.708   2.341
   87    H    LEU  15           H        LEU  15  -5.221   1.193   3.841
   88    HA   LEU  15           HA       LEU  15  -5.591   4.071   4.152
   89   1HB   LEU  15          2HB       LEU  15  -3.746   2.127   5.547
   90   2HB   LEU  15          1HB       LEU  15  -3.790   3.846   5.878
   91    HG   LEU  15           HG       LEU  15  -6.274   3.471   6.461
   92   1HD1  LEU  15          1HD1      LEU  15  -7.083   1.425   6.194
   93   2HD1  LEU  15          2HD1      LEU  15  -6.009   0.882   7.484
   94   3HD1  LEU  15          3HD1      LEU  15  -5.485   0.792   5.801
   95   1HD2  LEU  15          1HD2      LEU  15  -4.227   3.838   7.994
   96   2HD2  LEU  15          2HD2      LEU  15  -4.397   2.120   8.356
   97   3HD2  LEU  15          3HD2      LEU  15  -5.725   3.229   8.697
   98    H    CYS  16           H        CYS  16  -3.118   1.758   3.180
   99    HA   CYS  16           HA       CYS  16  -1.284   3.813   2.346
  100   1HB   CYS  16          2HB       CYS  16  -1.253   0.807   2.225
  101   2HB   CYS  16          1HB       CYS  16   0.021   1.790   1.511
  102    H    GLY  17           H        GLY  17  -3.777   3.959   0.977
  103   1HA   GLY  17          2HA       GLY  17  -3.570   2.773  -1.614
  104   2HA   GLY  17          1HA       GLY  17  -4.655   4.080  -1.154
  105    H    GLY  18           H        GLY  18  -3.152   6.125  -0.499
  106   1HA   GLY  18          2HA       GLY  18  -0.812   6.633  -1.923
  107   2HA   GLY  18          1HA       GLY  18  -2.156   7.088  -2.960
  108    H    ALA  19           H        ALA  19  -2.025   7.354   0.553
  109    HA   ALA  19           HA       ALA  19  -1.432  10.154   0.553
  110   1HB   ALA  19          1HB       ALA  19  -4.231   9.468   1.410
  111   2HB   ALA  19          2HB       ALA  19  -3.859   9.996  -0.231
  112   3HB   ALA  19          3HB       ALA  19  -3.522  11.060   1.134
  113    H    ALA  20           H        ALA  20  -0.274   8.001   1.826
  114    HA   ALA  20           HA       ALA  20  -0.453   8.826   4.573
  115   1HB   ALA  20          1HB       ALA  20  -2.155   7.327   4.935
  116   2HB   ALA  20          2HB       ALA  20  -0.753   6.300   5.238
  117   3HB   ALA  20          3HB       ALA  20  -1.589   6.215   3.688
  118    H    GLY  21           H        GLY  21   1.654   9.166   3.028
  119   1HA   GLY  21          2HA       GLY  21   3.473   6.956   2.971
  120   2HA   GLY  21          1HA       GLY  21   3.861   8.633   2.625
  121    H    GLY  22           H        GLY  22   2.665   6.968   5.540
  122   1HA   GLY  22          2HA       GLY  22   4.330   8.527   7.262
  123   2HA   GLY  22          1HA       GLY  22   3.351   7.147   7.733
  Start of MODEL   20
    1   1H    GLY   1           H        GLY   1   5.709   5.499   6.032
    2   1HA   GLY   1          2HA       GLY   1   7.155   3.822   6.687
    3   2HA   GLY   1          1HA       GLY   1   6.245   3.669   8.178
    4    H    CYS   2           H        CYS   2   3.811   2.958   7.413
    5    HA   CYS   2           HA       CYS   2   3.909   0.227   6.983
    6   1HB   CYS   2          2HB       CYS   2   1.964   1.382   7.906
    7   2HB   CYS   2          1HB       CYS   2   1.665   2.159   6.362
    8    H    CYS   3           H        CYS   3   3.305   2.791   4.655
    9    HA   CYS   3           HA       CYS   3   2.763   1.250   2.407
   10   1HB   CYS   3          2HB       CYS   3   4.186   3.907   2.374
   11   2HB   CYS   3          1HB       CYS   3   3.139   3.230   1.130
   12    H    SER   4           H        SER   4   5.828   2.004   3.891
   13    HA   SER   4           HA       SER   4   7.463   1.409   1.644
   14   1HB   SER   4          2HB       SER   4   8.223   2.764   3.589
   15   2HB   SER   4          1HB       SER   4   8.191   1.309   4.582
   16    HG   SER   4           HG       SER   4   9.600   0.712   2.450
   17    H    ASN   5           H        ASN   5   5.948  -0.510   4.124
   18    HA   ASN   5           HA       ASN   5   7.505  -2.870   3.437
   19   1HB   ASN   5          2HB       ASN   5   5.292  -2.392   5.438
   20   2HB   ASN   5          1HB       ASN   5   5.974  -3.983   5.131
   21   1HD2  ASN   5          1HD2      ASN   5   8.439  -1.850   4.708
   22   2HD2  ASN   5          2HD2      ASN   5   9.107  -1.875   6.299
   23    HA   PRO   6           HA       PRO   6   4.754  -3.995   0.137
   24   1HB   PRO   6          2HB       PRO   6   5.397  -6.701   0.195
   25   2HB   PRO   6          1HB       PRO   6   6.259  -5.461  -0.719
   26   1HG   PRO   6          2HG       PRO   6   6.917  -6.669   1.929
   27   2HG   PRO   6          1HG       PRO   6   8.002  -6.185   0.613
   28   1HD   PRO   6          2HD       PRO   6   7.724  -4.688   2.818
   29   2HD   PRO   6          1HD       PRO   6   7.938  -3.946   1.218
   30    H    VAL   7           H        VAL   7   4.932  -6.108   3.001
   31    HA   VAL   7           HA       VAL   7   2.410  -7.322   2.656
   32    HB   VAL   7           HB       VAL   7   3.677  -6.826   5.342
   33   1HG1  VAL   7          1HG1      VAL   7   2.258  -8.356   6.129
   34   2HG1  VAL   7          2HG1      VAL   7   2.524  -9.440   4.765
   35   3HG1  VAL   7          3HG1      VAL   7   1.368  -8.116   4.626
   36   1HG2  VAL   7          1HG2      VAL   7   4.503  -8.791   3.219
   37   2HG2  VAL   7          2HG2      VAL   7   4.840  -9.061   4.929
   38   3HG2  VAL   7          3HG2      VAL   7   5.509  -7.648   4.110
   39    H    CYS   8           H        CYS   8   3.471  -4.651   4.713
   40    HA   CYS   8           HA       CYS   8   0.987  -4.036   5.828
   41   1HB   CYS   8          2HB       CYS   8   3.392  -3.215   6.431
   42   2HB   CYS   8          1HB       CYS   8   3.039  -1.912   5.302
   43    H    HIS   9           H        HIS   9   2.542  -2.857   2.868
   44    HA   HIS   9           HA       HIS   9   0.653  -0.872   2.237
   45   1HB   HIS   9          2HB       HIS   9   2.934  -1.228   1.171
   46   2HB   HIS   9          1HB       HIS   9   2.182  -2.504   0.217
   47    HD1  HIS   9           1HD      HIS   9  -0.296  -1.364  -0.875
   48    HD2  HIS   9           2HD      HIS   9   3.093   0.987  -0.354
   49    HE1  HIS   9           1HE      HIS   9  -0.580   0.582  -2.439
   50    HE2  HIS   9           2HE      HIS   9   1.391   2.076  -1.973
   51    H    LEU  10           H        LEU  10   0.835  -4.292   1.284
   52    HA   LEU  10           HA       LEU  10  -1.536  -4.163  -0.308
   53   1HB   LEU  10          2HB       LEU  10   0.297  -6.315   0.604
   54   2HB   LEU  10          1HB       LEU  10  -1.311  -6.789   0.096
   55    HG   LEU  10           HG       LEU  10   0.254  -7.014  -1.744
   56   1HD1  LEU  10          1HD1      LEU  10  -2.066  -5.280  -1.809
   57   2HD1  LEU  10          2HD1      LEU  10  -1.571  -6.554  -2.925
   58   3HD1  LEU  10          3HD1      LEU  10  -0.927  -4.921  -3.107
   59   1HD2  LEU  10          1HD2      LEU  10   1.736  -5.105  -0.836
   60   2HD2  LEU  10          2HD2      LEU  10   0.685  -4.052  -1.784
   61   3HD2  LEU  10          3HD2      LEU  10   1.608  -5.327  -2.581
   62    H    GLU  11           H        GLU  11  -0.841  -5.526   2.900
   63    HA   GLU  11           HA       GLU  11  -3.428  -6.452   3.466
   64   1HB   GLU  11          2HB       GLU  11  -1.464  -7.138   4.742
   65   2HB   GLU  11          1HB       GLU  11  -1.241  -5.498   5.327
   66   1HG   GLU  11          2HG       GLU  11  -3.402  -5.660   6.504
   67   2HG   GLU  11          1HG       GLU  11  -3.534  -7.337   5.970
   68    H    HIS  12           H        HIS  12  -1.864  -3.354   4.115
   69    HA   HIS  12           HA       HIS  12  -4.451  -2.268   4.999
   70   1HB   HIS  12          2HB       HIS  12  -1.727  -1.003   5.347
   71   2HB   HIS  12          1HB       HIS  12  -3.230  -0.530   6.125
   72    HD1  HIS  12           1HD      HIS  12  -4.120  -2.095   8.036
   73    HD2  HIS  12           2HD      HIS  12  -0.371  -3.123   6.570
   74    HE1  HIS  12           1HE      HIS  12  -3.198  -3.767   9.662
   75    HE2  HIS  12           2HE      HIS  12  -1.115  -4.623   8.534
   76    H    SER  13           H        SER  13  -4.257  -2.716   2.364
   77    HA   SER  13           HA       SER  13  -3.162  -0.749   0.734
   78   1HB   SER  13          2HB       SER  13  -5.268  -1.479  -0.732
   79   2HB   SER  13          1HB       SER  13  -3.892  -2.557  -0.479
   80    HG   SER  13           HG       SER  13  -5.122  -3.846   0.634
   81    H    ASN  14           H        ASN  14  -6.188  -0.830   2.490
   82    HA   ASN  14           HA       ASN  14  -7.404   1.419   1.320
   83   1HB   ASN  14          2HB       ASN  14  -7.744   0.169   4.050
   84   2HB   ASN  14          1HB       ASN  14  -8.742   1.493   3.460
   85   1HD2  ASN  14          1HD2      ASN  14  -8.680  -1.728   3.860
   86   2HD2  ASN  14          2HD2      ASN  14  -9.755  -2.212   2.601
   87    H    LEU  15           H        LEU  15  -4.973   1.101   3.825
   88    HA   LEU  15           HA       LEU  15  -5.211   3.875   4.624
   89   1HB   LEU  15          2HB       LEU  15  -3.147   1.791   5.342
   90   2HB   LEU  15          1HB       LEU  15  -3.272   3.382   6.066
   91    HG   LEU  15           HG       LEU  15  -5.347   1.196   6.265
   92   1HD1  LEU  15          1HD1      LEU  15  -3.395   2.281   8.290
   93   2HD1  LEU  15          2HD1      LEU  15  -3.366   0.676   7.557
   94   3HD1  LEU  15          3HD1      LEU  15  -4.689   1.131   8.631
   95   1HD2  LEU  15          1HD2      LEU  15  -6.650   3.052   6.503
   96   2HD2  LEU  15          2HD2      LEU  15  -5.312   4.058   7.056
   97   3HD2  LEU  15          3HD2      LEU  15  -6.062   2.905   8.159
   98    H    CYS  16           H        CYS  16  -2.738   1.864   3.052
   99    HA   CYS  16           HA       CYS  16  -1.310   4.247   2.198
  100   1HB   CYS  16          2HB       CYS  16  -0.704   1.307   2.086
  101   2HB   CYS  16          1HB       CYS  16   0.253   2.471   1.176
  102    H    GLY  17           H        GLY  17  -3.799   4.131   1.060
  103   1HA   GLY  17          2HA       GLY  17  -3.806   2.890  -1.504
  104   2HA   GLY  17          1HA       GLY  17  -4.904   4.152  -0.962
  105    H    GLY  18           H        GLY  18  -3.265   6.244  -0.462
  106   1HA   GLY  18          2HA       GLY  18  -1.260   6.758  -2.354
  107   2HA   GLY  18          1HA       GLY  18  -2.795   7.301  -3.020
  108    H    ALA  19           H        ALA  19  -0.249   8.607  -1.884
  109    HA   ALA  19           HA       ALA  19   0.333  10.514  -0.809
  110   1HB   ALA  19          1HB       ALA  19  -2.586  11.047  -1.277
  111   2HB   ALA  19          2HB       ALA  19  -1.196  11.677  -2.161
  112   3HB   ALA  19          3HB       ALA  19  -1.522  12.229  -0.518
  113    H    ALA  20           H        ALA  20  -0.035   8.304   0.812
  114    HA   ALA  20           HA       ALA  20  -0.605   9.611   3.349
  115   1HB   ALA  20          1HB       ALA  20  -2.462   7.837   2.157
  116   2HB   ALA  20          2HB       ALA  20  -2.517   8.559   3.765
  117   3HB   ALA  20          3HB       ALA  20  -1.732   6.998   3.527
  118    H    GLY  21           H        GLY  21   1.856   9.096   2.454
  119   1HA   GLY  21          2HA       GLY  21   2.848   6.509   3.114
  120   2HA   GLY  21          1HA       GLY  21   3.813   7.952   2.845
  121    H    GLY  22           H        GLY  22   3.261   5.669   5.038
  122   1HA   GLY  22          2HA       GLY  22   4.199   7.355   7.210
  123   2HA   GLY  22          1HA       GLY  22   2.642   6.583   7.468