*HEADER    PLANT PROTEIN                           17-JAN-06   2FQA              
*TITLE     VIOLACIN A                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VIOLACIN 1;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-27;                                             
*COMPND   5 SYNONYM: VIOLACIN A                                                  
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: VIOLA ODORATA                                   
*KEYWDS    CYSTINE KNOT, BETA SHEET, BETA TURNS                                  
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.C.IRELAND, D.J.CRAIK, N.L.DALY                                      
*REVDAT   2   28-FEB-06 2FQA    1       DBREF  REMARK COMPND                     
*REVDAT   1   31-JAN-06 2FQA    0                                                

assign (resid 17 and name HB3) (resid 19 and name HN)          4.5     0     2.5   
assign (resid 18 and name HG#)  (resid 19 and name HN)     4.5     0     2.5   
assign (resid 18 and name HG#) (resid 19 and name HA)        4.5     0  2.5   
assign (resid  13 and name HG#)    (resid 14  and name HN)    0     0   5   
assign (resid 24  and name HB2)    (resid 23  and name HD*)   0   0   5    
assign (resid 24  and name HB3)   (resid 23  and name HD*)    0   0   5    
assign (resid 9   and name HB#)  (resid  12 and name  HN)     0   0   7.5    
assign (resid   14 and name   HB2)  (resid  16 and name HN)    0    0    5    
assign (resid  10 and name  HN)   (resid  13  and name HN)     0    0    7.5   
assign (resid   16 and name   HB)   (resid  19 and name HB2)   0    0    5 
assign (resid   16 and name   HB)   (resid  19 and name HB3)   0    0    5 
assign (resid   2 and name   HB)    (resid  4 and name HN)     0    0    5 
assign (resid   12 and name   HA)   (resid  23 and name HD*)   0    0    7 
assign (resid   15 and name   HD#)  (resid  12 and name HA)    0    0    5 
assign (resid   10 and name   HA)   (resid  23 and name HD*)   0    0    5.5 
assign (resid   24 and name   HD#)  (resid  25 and name HG1#)  0    0    7.5 
assign (resid   24 and name   HD#)  (resid  25 and name HG2#)  0    0    7.5 
assign (resid   10 and name   HN)   (resid  11 and name HN)    0    0    5 
assign (resid   11 and name   HN)   (resid  12 and name HN)    0    0    5  
assign (resid  11 and name HN)      (resid  13 and name HN)    0    0    5 
assign (resid   8  and name   HB)  (resid  10 and name HN)     0    0    5 
assign (resid   10  and name HD*) (resid 8 and name HG2*)    0           0               7 
assign (resid 10 and name HD*)(resid 24 and name HB1)      0              0              7 
assign (resid 10 and name HD*)(resid 24 and name HB2)      0              0              7 
assign (resid 10 and name HD*)(resid 24 and name HG2)        0             0             7 
assign (resid 10 and name HD*)(resid 24 and name HG1)       0               0             7 
assign (resid 23 and name HD*)(resid 24 and name HB2)       0                 0            7 
assign (resid 23 and name HD*)(resid 24 and name HB1)       0                0            7 
assign (resid 22 and name HB2)(resid 27 and name HG*)       0               0            7 
assign (resid 12 and name HD*)(resid 15 and name HA)            0              0           7 
assign (resid   2 and name   HA)   (resid  16 and name HG2#)   3.620    1.820    1.820   
assign (resid   3 and name   HN)   (resid   3 and name   HA)   2.270    0.470   0.470   
assign (resid   3 and name   HN)   (resid   3 and name   HB)   2.285    0.485   0.485   
assign (resid   3 and name   HN)   (resid   3 and name HG2#)   3.265    1.465   1.465   
assign (resid   3 and name   HN)   (resid   3 and name HG1#)   3.610    1.810   1.810   
assign (resid   3 and name   HN)   (resid   3 and name HD1#)   3.280    1.480   1.480   
assign (resid   3 and name   HA)   (resid   3 and name HD1#)   3.235    1.435  1.435   
assign (resid   4 and name   HN)   (resid   4 and name  HB2)   2.580    0.780  0.780   
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.580    0.780  0.780   
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.450    0.650  0.650   
assign (resid   4 and name   HN)   (resid  16 and name   HB)   3.030    1.230    1.230   
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.335    0.535    0.535   
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   3.090    1.290    1.290   
assign (resid   4 and name  HB1)   (resid   5 and name   HN)   3.090    1.290    1.290   
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.850    1.050    1.050   
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.660    0.860   0.860   
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.660    0.860   0.860   
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.470    0.670   0.670   
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.565    0.765    0.765   
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.640    0.840    0.840   
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   2.455    0.655    0.655   
assign (resid   5 and name  HB2)   (resid  27 and name   HA)   3.310    1.510    1.510   
assign (resid   5 and name  HB1)   (resid   6 and name   HN)   2.455    0.655    0.655   
assign (resid   5 and name  HB1)   (resid  27 and name   HA)   3.310    1.510    1.510   
assign (resid   5 and name  HB#)   (resid  27 and name   HA)   3.185    1.385    1.385   
assign (resid   6 and name   HN)   (resid   7 and name   HN)   2.550    0.750    0.750   
assign (resid   6 and name   HN)   (resid  26 and name  HB#)   3.715    1.915    1.915   
assign (resid   6 and name  HA1)   (resid   7 and name   HN)   2.660    0.860    0.860   
assign (resid   6 and name  HA2)   (resid   7 and name   HN)   2.660    0.860    0.860   
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.955    1.155   1.155   
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.955    1.155  1.155   
assign (resid   7 and name   HN)   (resid   7 and name  HG2)   3.015    1.215   1.215   
assign (resid   7 and name   HN)   (resid   7 and name  HG1)   3.015    1.215  1.215   
assign (resid   7 and name   HN)   (resid   7 and name  HG#)   2.875    1.075  1.075   
assign (resid   7 and name   HN)   (resid   8 and name   HN)   3.400    1.600    1.600   
assign (resid   7 and name   HN)   (resid  26 and name  HB2)   3.200    1.400    1.400   
assign (resid   7 and name   HN)   (resid  26 and name  HB1)   3.200    1.400    1.400   
assign (resid   7 and name   HN)   (resid  26 and name  HB#)   3.015    1.215    1.215   
assign (resid   7 and name   HA)   (resid   7 and name  HG2)   2.860    1.060   1.060   
assign (resid   7 and name   HA)   (resid   7 and name  HG1)   2.860    1.060    1.060   
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.160    0.360    0.360   
assign (resid   7 and name  HB2)   (resid   8 and name   HN)   2.780    0.980    0.980   
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   2.780    0.980    0.980   
assign (resid   7 and name  HG2)   (resid   8 and name   HN)   3.125    1.325    1.325   
assign (resid   7 and name  HG2)   (resid  26 and name  HB2)   4.525    2.725    2.725   
assign (resid   7 and name  HG2)   (resid  26 and name  HB1)   4.525    2.725    2.725   
assign (resid   7 and name  HG1)   (resid   8 and name   HN)   3.125    1.325    1.325   
assign (resid   7 and name  HG1)   (resid  26 and name  HB2)   4.525    2.725    2.725   
assign (resid   7 and name  HG1)   (resid  26 and name  HB1)   4.525    2.725    2.725   
assign (resid   7 and name  HG#)   (resid  26 and name  HB#)   3.845    2.045    2.045   
assign (resid   8 and name   HN)   (resid   8 and name   HB)   2.720    0.920  0.920   
assign (resid   8 and name   HN)   (resid   8 and name HG2#)   3.295    1.495   1.495   
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.210    0.410    0.410   
assign (resid   8 and name   HA)   (resid  26 and name   HN)   2.380    0.580    0.580   
assign (resid   8 and name   HB)   (resid   9 and name   HN)   2.335    0.535    0.535   
assign (resid   8 and name   HB)   (resid  10 and name  HD#)   4.045    2.245    2.245   
assign (resid   8 and name HG2#)   (resid   9 and name   HN)   3.495    1.695    1.695   
assign (resid   8 and name HG2#)   (resid  25 and name   HA)   3.715    1.915    1.915   
assign (resid   9 and name   HN)   (resid   9 and name  HB#)   2.860    1.060   1.060   
assign (resid   9 and name   HN)   (resid  10 and name   HN)   2.675    0.875    0.875   
assign (resid   9 and name   HN)   (resid  24 and name   HA)   3.400    1.600    1.600   
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.395    0.595    0.595   
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   3.235    1.435    1.435   
assign (resid   9 and name  HB#)   (resid  13 and name   HN)     0          0          5    
assign (resid   9 and name  HB#)   (resid  21 and name   HA)   3.780    1.980    1.980   
assign (resid  10 and name   HN)   (resid  10 and name  HB2)   2.625    0.825   0.825   
assign (resid  10 and name   HN)   (resid  10 and name  HB1)   2.625    0.825   0.825   
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   2.455    0.655   0.655   
assign (resid  11 and name   HA)   (resid  12 and name   HN)   3.400    1.600    1.600  
assign (resid  10 and name   HA)   (resid  11 and name   HN)      0           0           5       
assign (resid  10 and name  HA)    (resid  12 and name   HN)      0           0          7.5     
assign (resid  12 and name   HN)   (resid  13 and name   HN)   2.625    0.825    0.825   
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.815    1.015   1.015   
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.815    1.015  1.015   
assign (resid  13 and name   HN)   (resid  13 and name  HG#)   4.090    2.290  2.290   
assign (resid  13 and name   HN)   (resid  13 and name  HD#)   4.090    2.290   2.290   
assign (resid  13 and name   HA)   (resid  14 and name   HN)     0          0           3.5     
assign (resid  13 and name   HA)   (resid  21 and name  HB2)     0          0          5     
assign (resid  13 and name   HA)   (resid  21 and name  HB1)     0          0          5     
assign (resid  13 and name   HA)   (resid  21 and name  HB#)     0          0          5     
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   3.250    1.450    1.450   
assign (resid  14 and name   HN)   (resid  14 and name   HA)   2.365    0.565   0.565   
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.875    1.075   1.075   
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.875    1.075   1.075   
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.635    0.835   0.835   
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.580    0.780    0.780   
assign (resid  14 and name   HA)   (resid  15 and name  HD#)   4.720    2.920    2.920   
assign (resid  15 and name   HN)   (resid  16 and name   HN)   2.690    0.890    0.890   
assign (resid  16 and name   HN)   (resid  16 and name   HB)   2.535    0.735   0.735   
assign (resid  16 and name   HA)   (resid  17 and name  HD2)   2.675    0.875    0.875   
assign (resid  16 and name   HA)   (resid  17 and name  HD1)   2.675    0.875    0.875   
assign (resid  16 and name HG2#)   (resid  17 and name   HA)   3.390    1.590    1.590   
assign (resid  16 and name HG2#)   (resid  17 and name  HD#)   3.485    1.685    1.685   
assign (resid  16 and name HG2#)   (resid  19 and name   HN)   4.165    2.365    2.365   
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.210    0.410    0.410   
assign (resid  17 and name   HA)   (resid  19 and name   HN)   2.815    1.015    1.015   
assign (resid  17 and name  HB2)   (resid  18 and name   HN)   3.400    1.600    1.600   
assign (resid  17 and name  HB1)   (resid  18 and name   HN)   3.400    1.600    1.600   
assign (resid  18 and name   HN)   (resid  18 and name   HA)   2.210    0.410   0.410   
assign (resid  18 and name   HN)   (resid  18 and name  HB2)   2.660    0.860   0.860   
assign (resid  18 and name   HN)   (resid  18 and name  HB1)   2.660    0.860   0.860   
assign (resid  18 and name   HN)   (resid  18 and name  HG#)   3.685    1.885   1.885   
assign (resid  18 and name   HN)   (resid  19 and name   HN)   2.455    0.655    0.655   
assign (resid  18 and name   HA)   (resid  18 and name  HD#)   4.090    2.290   2.290     
assign (resid  18 and name   HA)   (resid  19 and name   HN)   2.705    0.905    0.905   
assign (resid  19 and name   HN)   (resid  19 and name  HB2)   2.625    0.825   0.825   
assign (resid  19 and name   HN)   (resid  19 and name  HB1)   2.625    0.825   0.825   
assign (resid  19 and name   HN)   (resid  19 and name  HB#)   2.460    0.660   0.660   
assign (resid  19 and name   HA)   (resid  20 and name   HN)   2.210    0.410    0.410   
assign (resid  19 and name  HB2)   (resid  20 and name   HN)   3.400    1.600    1.600   
assign (resid  19 and name  HB1)   (resid  20 and name   HN)   3.400    1.600    1.600   
assign (resid  19 and name  HB#)   (resid  20 and name   HN)   2.975    1.175    1.175   
assign (resid  20 and name   HN)   (resid  20 and name  HB2)   2.750    0.950   0.950   
assign (resid  20 and name   HN)   (resid  20 and name  HB1)   2.750    0.950   0.950   
assign (resid  20 and name   HN)   (resid  27 and name   HN)   2.440    0.640    0.640   
assign (resid  20 and name   HN)   (resid  27 and name  HD#)   4.090    2.290    2.290   
assign (resid  20 and name   HA)   (resid  21 and name   HN)   2.240    0.440    0.440   
assign (resid  20 and name   HA)   (resid  22 and name   HN)   3.400    1.600    1.600   
assign (resid  20 and name  HB2)   (resid  21 and name   HN)   2.610    0.810    0.810   
assign (resid  20 and name  HB1)   (resid  21 and name   HN)   2.610    0.810    0.810   
assign (resid  21 and name   HN)   (resid  21 and name  HB2)   2.380    0.580   0.580   
assign (resid  21 and name   HN)   (resid  21 and name  HB1)   2.380    0.580   0.580   
assign (resid  21 and name   HN)   (resid  26 and name  HB#)   3.825    2.025    2.025   
assign (resid  21 and name   HA)   (resid  22 and name   HN)   2.210    0.410    0.410   
assign (resid  21 and name   HA)   (resid  27 and name   HN)   2.795    0.995    0.995   
assign (resid  22 and name   HN)   (resid  22 and name  HB2)   2.565    0.765   0.765   
assign (resid  22 and name   HN)   (resid  22 and name  HB1)   2.565    0.765   0.765   
assign (resid  22 and name   HN)   (resid  25 and name   HN)   0              0           3.5       
assign (resid  22 and name   HN)   (resid  26 and name   HA)   2.705    0.905    0.905   
assign (resid  22 and name   HN)   (resid  27 and name   HN)   3.400    1.600    1.600   
assign (resid  22 and name   HA)   (resid  23 and name   HN)   2.100    0.300    0.300   
assign (resid  22 and name  HB#)   (resid  23 and name   HN)   3.175    1.375    1.375   
assign (resid  23 and name   HA)   (resid  24 and name   HA)       0           0           2.7 
assign (resid  23 and name   HA)   (resid  25 and name   HN)        0          0           5   
assign (resid  23 and name  HD#)   (resid  24 and name   HA)   4.675    2.875    2.875   
assign (resid  24 and name   HA)   (resid  25 and name   HN)       0           0          5    
assign (resid  25 and name   HN)   (resid  25 and name   HB)   2.520    0.720   0.720   
assign (resid  25 and name   HA)   (resid  26 and name   HN)   2.180    0.380    0.380   
assign (resid  25 and name   HB)   (resid  26 and name   HN)   2.705    0.905    0.905   
assign (resid  25 and name HG1#)   (resid  26 and name   HN)   3.560    1.760    1.760   
assign (resid  25 and name HG2#)   (resid  26 and name   HN)   3.560    1.760    1.760   
assign (resid  25 and name  HG*)   (resid  26 and name   HN)   3.345    1.545    1.545   
assign (resid  26 and name   HN)   (resid  26 and name  HB2)   2.550    0.750   0.750   
assign (resid  26 and name   HN)   (resid  26 and name  HB1)   2.550    0.750   0.750   
assign (resid  26 and name   HN)   (resid  26 and name  HB#)   2.365    0.565   0.565   
assign (resid  26 and name   HA)   (resid  27 and name   HN)   2.195    0.395    0.395   
assign (resid  26 and name  HB#)   (resid  27 and name   HN)   3.080    1.280    1.280   
assign (resid  27 and name   HN)   (resid  27 and name  HB2)   2.705    0.905   0.905   
assign (resid  27 and name   HN)   (resid  27 and name  HB1)   2.705    0.905   0.905   
assign (resid  27 and name   HN)   (resid  27 and name  HB#)   2.595    0.795    0.795   
assign (resid  27 and name   HN)   (resid  27 and name  HG#)   4.010    2.210    2.210   
assign (resid  27 and name   HN)   (resid  27 and name  HD#)   3.950    2.150   2.150   
assign (resid  27 and name   HA)   (resid  27 and name  HD#)   4.090    2.290   2.290   
assign (resid  27 and name   HA)   (resid  27 and name  HE#)   4.090    2.290   2.290   
assign (resid  25 and name   HN)   (resid  22 and name  O)        0           0            2 
assign (resid  25 and name   N)    (resid  22 and name  O)          0          0             3 
assign (resid  20 and name   NH)   (resid  27 and name  OT2)   0          0             2 
assign (resid  20 and name   N)    (resid  27 and name  OT2)    0           0            3 
assign (resid  27 and name   NH)   (resid  20 and name  O)      0            0           2 
assign (resid  27 and name   N)    (resid  20 and name  O)       0            0            3 
}

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1          1HT       SER   1  -6.496   9.519   1.147
    2   2H    SER   1          2HT       SER   1  -7.255   8.284   0.279
    3   3H    SER   1          3HT       SER   1  -6.967   9.781  -0.455
    4    HA   SER   1           HA       SER   1  -4.629   8.474   0.594
    5   1HB   SER   1          2HB       SER   1  -6.169   7.368  -1.768
    6   2HB   SER   1          1HB       SER   1  -4.544   6.872  -1.289
    7    HG   SER   1           HG       SER   1  -5.316   5.832   0.407
    8    H    ALA   2           H        ALA   2  -2.839   8.855  -0.875
    9    HA   ALA   2           HA       ALA   2  -3.046  11.434  -2.118
   10   1HB   ALA   2          1HB       ALA   2  -1.015  10.012  -0.930
   11   2HB   ALA   2          2HB       ALA   2  -0.834  11.516  -1.833
   12   3HB   ALA   2          3HB       ALA   2  -0.587   9.967  -2.640
   13    H    ILE   3           H        ILE   3  -1.344  11.268  -4.255
   14    HA   ILE   3           HA       ILE   3  -3.077  10.429  -6.322
   15    HB   ILE   3           HB       ILE   3  -0.177  11.257  -6.507
   16   1HG1  ILE   3          2HG1      ILE   3  -1.541  12.986  -5.441
   17   2HG1  ILE   3          1HG1      ILE   3  -1.059  13.490  -7.057
   18   1HG2  ILE   3          1HG2      ILE   3  -1.037  11.990  -8.848
   19   2HG2  ILE   3          2HG2      ILE   3  -2.301  10.795  -8.559
   20   3HG2  ILE   3          3HG2      ILE   3  -0.607  10.303  -8.565
   21   1HD1  ILE   3          1HD1      ILE   3  -3.751  12.367  -6.312
   22   2HD1  ILE   3          2HD1      ILE   3  -3.264  12.946  -7.905
   23   3HD1  ILE   3          3HD1      ILE   3  -3.377  14.073  -6.553
   24    H    SER   4           H        SER   4  -0.176   9.055  -4.879
   25    HA   SER   4           HA       SER   4   0.208   7.033  -6.824
   26   1HB   SER   4          2HB       SER   4   1.231   7.188  -3.991
   27   2HB   SER   4          1HB       SER   4   1.883   6.218  -5.302
   28    HG   SER   4           HG       SER   4   2.217   8.267  -6.421
   29    H    CYS   5           H        CYS   5  -2.474   6.886  -5.985
   30    HA   CYS   5           HA       CYS   5  -2.506   4.212  -4.834
   31   1HB   CYS   5          2HB       CYS   5  -4.163   6.597  -4.034
   32   2HB   CYS   5          1HB       CYS   5  -4.790   4.976  -3.853
   33    H    GLY   6           H        GLY   6  -5.577   5.318  -5.290
   34   1HA   GLY   6          2HA       GLY   6  -7.223   4.836  -6.800
   35   2HA   GLY   6          1HA       GLY   6  -6.093   5.501  -7.960
   36    H    GLU   7           H        GLU   7  -5.467   2.502  -6.201
   37    HA   GLU   7           HA       GLU   7  -6.464   0.789  -8.257
   38   1HB   GLU   7          2HB       GLU   7  -4.319  -0.048  -9.087
   39   2HB   GLU   7          1HB       GLU   7  -4.491   1.666  -9.438
   40   1HG   GLU   7          2HG       GLU   7  -2.883   2.282  -7.912
   41   2HG   GLU   7          1HG       GLU   7  -3.078   0.816  -6.956
   42    H    THR   8           H        THR   8  -5.236  -1.443  -8.006
   43    HA   THR   8           HA       THR   8  -5.635  -2.271  -5.272
   44    HB   THR   8           HB       THR   8  -4.918  -4.532  -6.237
   45    HG1  THR   8           1HG      THR   8  -4.015  -3.149  -8.177
   46   1HG2  THR   8          1HG2      THR   8  -7.170  -4.579  -6.118
   47   2HG2  THR   8          2HG2      THR   8  -7.090  -4.375  -7.869
   48   3HG2  THR   8          3HG2      THR   8  -7.340  -2.974  -6.829
   49    H    CYS   9           H        CYS   9  -3.844  -3.676  -4.212
   50    HA   CYS   9           HA       CYS   9  -1.202  -3.022  -5.149
   51   1HB   CYS   9          2HB       CYS   9  -1.967  -1.069  -3.746
   52   2HB   CYS   9          1HB       CYS   9  -1.956  -2.168  -2.366
   53    H    PHE  10           H        PHE  10  -0.452  -4.969  -5.222
   54    HA   PHE  10           HA       PHE  10  -0.991  -6.896  -3.144
   55   1HB   PHE  10          2HB       PHE  10   0.386  -7.026  -5.814
   56   2HB   PHE  10          1HB       PHE  10   0.475  -8.354  -4.669
   57    HD1  PHE  10           1HD      PHE  10  -0.868 -10.089  -5.317
   58    HD2  PHE  10           2HD      PHE  10  -2.290  -6.108  -5.807
   59    HE1  PHE  10           1HE      PHE  10  -3.009 -10.960  -6.155
   60    HE2  PHE  10           2HE      PHE  10  -4.435  -6.973  -6.644
   61    HZ   PHE  10           HZ       PHE  10  -4.797  -9.402  -6.819
   62    H    LYS  11           H        LYS  11   0.338  -7.487  -1.621
   63    HA   LYS  11           HA       LYS  11   2.090  -7.748  -0.253
   64   1HB   LYS  11          2HB       LYS  11   3.322  -8.524  -2.236
   65   2HB   LYS  11          1HB       LYS  11   3.793  -6.868  -2.588
   66   1HG   LYS  11          2HG       LYS  11   5.595  -8.104  -1.510
   67   2HG   LYS  11          1HG       LYS  11   5.048  -6.762  -0.507
   68   1HD   LYS  11          2HD       LYS  11   3.601  -8.413   0.726
   69   2HD   LYS  11          1HD       LYS  11   4.434  -9.691  -0.161
   70   1HE   LYS  11          2HE       LYS  11   5.457  -9.406   2.010
   71   2HE   LYS  11          1HE       LYS  11   6.579  -8.892   0.752
   72   1HZ   LYS  11          1HZ       LYS  11   6.298  -7.415   2.803
   73   2HZ   LYS  11          2HZ       LYS  11   4.830  -6.939   2.112
   74   3HZ   LYS  11          3HZ       LYS  11   6.280  -6.666   1.285
   75    H    PHE  12           H        PHE  12   3.955  -5.256  -1.788
   76    HA   PHE  12           HA       PHE  12   2.969  -3.196  -0.006
   77   1HB   PHE  12          2HB       PHE  12   4.649  -4.557   1.315
   78   2HB   PHE  12          1HB       PHE  12   5.870  -4.027   0.165
   79    HD1  PHE  12           1HD      PHE  12   3.068  -2.204   1.818
   80    HD2  PHE  12           2HD      PHE  12   7.271  -2.554   1.247
   81    HE1  PHE  12           1HE      PHE  12   3.413  -0.157   3.136
   82    HE2  PHE  12           2HE      PHE  12   7.623  -0.506   2.566
   83    HZ   PHE  12           HZ       PHE  12   5.693   0.694   3.513
   84    H    LYS  13           H        LYS  13   2.527  -2.800  -2.423
   85    HA   LYS  13           HA       LYS  13   4.827  -1.752  -3.825
   86   1HB   LYS  13          2HB       LYS  13   3.064  -2.998  -5.045
   87   2HB   LYS  13          1HB       LYS  13   1.913  -1.739  -4.638
   88   1HG   LYS  13          2HG       LYS  13   4.388  -1.056  -6.169
   89   2HG   LYS  13          1HG       LYS  13   3.012  -1.791  -6.989
   90   1HD   LYS  13          2HD       LYS  13   2.852   0.726  -5.329
   91   2HD   LYS  13          1HD       LYS  13   3.062   0.708  -7.079
   92   1HE   LYS  13          2HE       LYS  13   0.756  -0.647  -5.700
   93   2HE   LYS  13          1HE       LYS  13   0.696   1.037  -6.217
   94   1HZ   LYS  13          1HZ       LYS  13   0.053  -1.133  -7.739
   95   2HZ   LYS  13          2HZ       LYS  13   1.587  -0.701  -8.304
   96   3HZ   LYS  13          3HZ       LYS  13   0.329   0.436  -8.311
   97    H    CYS  14           H        CYS  14   1.968  -0.494  -2.230
   98    HA   CYS  14           HA       CYS  14   2.731   2.241  -2.850
   99   1HB   CYS  14          2HB       CYS  14   0.413   1.106  -1.281
  100   2HB   CYS  14          1HB       CYS  14   0.678   2.825  -1.547
  101    H    TYR  15           H        TYR  15   3.891   3.486  -1.575
  102    HA   TYR  15           HA       TYR  15   3.887   3.138   1.297
  103   1HB   TYR  15          2HB       TYR  15   6.487   3.253   1.241
  104   2HB   TYR  15          1HB       TYR  15   5.697   1.701   0.993
  105    HD1  TYR  15           1HD      TYR  15   6.871   4.605  -1.074
  106    HD2  TYR  15           2HD      TYR  15   6.512   0.379  -0.693
  107    HE1  TYR  15           1HE      TYR  15   8.087   4.317  -3.191
  108    HE2  TYR  15           2HE      TYR  15   7.731   0.082  -2.807
  109    HH   TYR  15           HH       TYR  15   8.345   1.229  -4.756
  110    H    THR  16           H        THR  16   3.008   5.004  -0.680
  111    HA   THR  16           HA       THR  16   4.674   7.372  -0.366
  112    HB   THR  16           HB       THR  16   1.995   7.121  -1.758
  113    HG1  THR  16           1HG      THR  16   3.631   6.964  -3.649
  114   1HG2  THR  16          1HG2      THR  16   3.110   8.918  -3.223
  115   2HG2  THR  16          2HG2      THR  16   4.259   9.091  -1.896
  116   3HG2  THR  16          3HG2      THR  16   2.543   9.394  -1.622
  117    HA   PRO  17           HA       PRO  17   2.565   8.925   3.244
  118   1HB   PRO  17          2HB       PRO  17   2.271  11.444   1.656
  119   2HB   PRO  17          1HB       PRO  17   2.848  11.221   3.313
  120   1HG   PRO  17          2HG       PRO  17   4.567  11.658   1.329
  121   2HG   PRO  17          1HG       PRO  17   4.947  10.510   2.626
  122   1HD   PRO  17          2HD       PRO  17   4.150   9.989  -0.193
  123   2HD   PRO  17          1HD       PRO  17   5.212   9.050   0.875
  124    H    ARG  18           H        ARG  18   0.581   8.318   3.680
  125    HA   ARG  18           HA       ARG  18  -1.646   8.036   3.701
  126   1HB   ARG  18          2HB       ARG  18  -1.654  10.517   3.606
  127   2HB   ARG  18          1HB       ARG  18  -1.748  10.419   1.858
  128   1HG   ARG  18          2HG       ARG  18  -3.921  10.878   2.951
  129   2HG   ARG  18          1HG       ARG  18  -3.926   9.415   1.968
  130   1HD   ARG  18          2HD       ARG  18  -3.384   9.295   4.916
  131   2HD   ARG  18          1HD       ARG  18  -5.033   9.360   4.303
  132    HE   ARG  18           HE       ARG  18  -3.739   7.309   2.929
  133   1HH1  ARG  18          1HH1      ARG  18  -4.643   8.050   6.233
  134   2HH1  ARG  18          2HH1      ARG  18  -4.816   6.391   6.694
  135   1HH2  ARG  18          1HH2      ARG  18  -3.965   5.108   3.533
  136   2HH2  ARG  18          2HH2      ARG  18  -4.423   4.719   5.162
  137    H    CYS  19           H        CYS  19  -0.077   6.595   1.904
  138    HA   CYS  19           HA       CYS  19  -2.111   5.595   0.131
  139   1HB   CYS  19          2HB       CYS  19   0.215   7.114  -0.820
  140   2HB   CYS  19          1HB       CYS  19   0.085   5.514  -1.535
  141    H    SER  20           H        SER  20  -1.823   4.124   2.003
  142    HA   SER  20           HA       SER  20   0.651   2.618   2.068
  143   1HB   SER  20          2HB       SER  20  -1.320   1.499   3.798
  144   2HB   SER  20          1HB       SER  20   0.133   2.403   4.223
  145    HG   SER  20           HG       SER  20  -2.436   3.464   3.607
  146    H    CYS  21           H        CYS  21   0.988   0.592   1.440
  147    HA   CYS  21           HA       CYS  21  -0.974  -0.611  -0.291
  148   1HB   CYS  21          2HB       CYS  21   1.487  -0.551  -0.804
  149   2HB   CYS  21          1HB       CYS  21   1.742  -1.728   0.471
  150    H    SER  22           H        SER  22  -2.618  -1.134   1.140
  151    HA   SER  22           HA       SER  22  -2.054  -3.066   3.250
  152   1HB   SER  22          2HB       SER  22  -3.570  -1.131   3.713
  153   2HB   SER  22          1HB       SER  22  -4.672  -1.735   2.476
  154    HG   SER  22           HG       SER  22  -4.935  -3.618   3.727
  155    H    TYR  23           H        TYR  23  -1.393  -4.624   1.686
  156    HA   TYR  23           HA       TYR  23  -2.432  -5.690  -0.481
  157   1HB   TYR  23          2HB       TYR  23  -0.538  -6.679   0.670
  158   2HB   TYR  23          1HB       TYR  23  -1.586  -7.272   1.952
  159    HD1  TYR  23           1HD      TYR  23  -1.816  -9.556   1.903
  160    HD2  TYR  23           2HD      TYR  23  -1.635  -7.455  -1.790
  161    HE1  TYR  23           1HE      TYR  23  -2.100 -11.675   0.690
  162    HE2  TYR  23           2HE      TYR  23  -1.921  -9.567  -3.013
  163    HH   TYR  23           HH       TYR  23  -2.515 -12.607  -1.320
  164    HA   PRO  24           HA       PRO  24  -3.246  -6.189  -1.789
  165   1HB   PRO  24          2HB       PRO  24  -5.111  -6.985  -3.517
  166   2HB   PRO  24          1HB       PRO  24  -4.221  -8.160  -2.542
  167   1HG   PRO  24          2HG       PRO  24  -7.035  -7.307  -2.332
  168   2HG   PRO  24          1HG       PRO  24  -6.263  -8.781  -1.730
  169   1HD   PRO  24          2HD       PRO  24  -6.831  -6.297  -0.306
  170   2HD   PRO  24          1HD       PRO  24  -6.280  -7.856   0.347
  171    H    VAL  25           H        VAL  25  -4.579  -3.929  -0.387
  172    HA   VAL  25           HA       VAL  25  -5.588  -2.550  -2.795
  173    HB   VAL  25           HB       VAL  25  -6.762  -1.981  -0.094
  174   1HG1  VAL  25          1HG1      VAL  25  -6.890  -0.430  -2.162
  175   2HG1  VAL  25          2HG1      VAL  25  -8.339  -0.717  -1.197
  176   3HG1  VAL  25          3HG1      VAL  25  -8.111  -1.573  -2.722
  177   1HG2  VAL  25          1HG2      VAL  25  -7.115  -4.413  -1.341
  178   2HG2  VAL  25          2HG2      VAL  25  -8.514  -3.477  -1.869
  179   3HG2  VAL  25          3HG2      VAL  25  -8.198  -3.694  -0.147
  180    H    CYS  26           H        CYS  26  -4.998  -0.465  -3.018
  181    HA   CYS  26           HA       CYS  26  -2.912   0.507  -1.224
  182   1HB   CYS  26          2HB       CYS  26  -2.576   0.443  -3.705
  183   2HB   CYS  26          1HB       CYS  26  -3.867   1.627  -3.873
  184    H    LYS  27           H        LYS  27  -3.408   1.934   0.348
  185    HA   LYS  27           HA       LYS  27  -5.451   3.952  -0.106
  186   1HB   LYS  27          2HB       LYS  27  -6.415   1.710   0.925
  187   2HB   LYS  27          1HB       LYS  27  -5.713   2.342   2.407
  188   1HG   LYS  27          2HG       LYS  27  -7.993   2.992   2.364
  189   2HG   LYS  27          1HG       LYS  27  -7.032   4.437   2.036
  190   1HD   LYS  27          2HD       LYS  27  -8.961   4.296   0.537
  191   2HD   LYS  27          1HD       LYS  27  -7.444   4.176  -0.359
  192   1HE   LYS  27          2HE       LYS  27  -7.707   1.676  -0.256
  193   2HE   LYS  27          1HE       LYS  27  -9.327   1.946   0.385
  194   1HZ   LYS  27          1HZ       LYS  27  -9.710   3.324  -1.676
  195   2HZ   LYS  27          2HZ       LYS  27  -9.584   1.653  -1.909
  196   3HZ   LYS  27          3HZ       LYS  27  -8.277   2.659  -2.285
  Start of MODEL    2
    1   1H    SER   1          1HT       SER   1   1.248  13.616   1.257
    2   2H    SER   1          2HT       SER   1   2.036  13.606  -0.240
    3   3H    SER   1          3HT       SER   1   0.708  12.586   0.026
    4    HA   SER   1           HA       SER   1  -0.424  14.909   0.555
    5   1HB   SER   1          2HB       SER   1   0.519  16.364  -1.417
    6   2HB   SER   1          1HB       SER   1   1.367  16.348   0.131
    7    HG   SER   1           HG       SER   1   2.686  16.006  -1.825
    8    H    ALA   2           H        ALA   2   0.941  13.781  -2.555
    9    HA   ALA   2           HA       ALA   2  -1.666  13.748  -3.762
   10   1HB   ALA   2          1HB       ALA   2   1.089  13.530  -4.652
   11   2HB   ALA   2          2HB       ALA   2  -0.334  14.110  -5.516
   12   3HB   ALA   2          3HB       ALA   2   0.026  12.385  -5.468
   13    H    ILE   3           H        ILE   3  -3.063  12.135  -3.598
   14    HA   ILE   3           HA       ILE   3  -2.250   9.621  -2.468
   15    HB   ILE   3           HB       ILE   3  -5.022  10.331  -3.422
   16   1HG1  ILE   3          2HG1      ILE   3  -4.254  12.090  -1.895
   17   2HG1  ILE   3          1HG1      ILE   3  -5.488  11.097  -1.127
   18   1HG2  ILE   3          1HG2      ILE   3  -4.019   8.396  -1.331
   19   2HG2  ILE   3          2HG2      ILE   3  -4.664   7.976  -2.917
   20   3HG2  ILE   3          3HG2      ILE   3  -5.714   8.710  -1.705
   21   1HD1  ILE   3          1HD1      ILE   3  -2.653  11.465  -0.442
   22   2HD1  ILE   3          2HD1      ILE   3  -3.272   9.820  -0.295
   23   3HD1  ILE   3          3HD1      ILE   3  -4.044  11.135   0.592
   24    H    SER   4           H        SER   4  -0.881   9.572  -4.610
   25    HA   SER   4           HA       SER   4  -2.214   8.692  -6.970
   26   1HB   SER   4          2HB       SER   4   0.707   8.439  -6.242
   27   2HB   SER   4          1HB       SER   4  -0.003   8.465  -7.850
   28    HG   SER   4           HG       SER   4   0.514  10.518  -7.671
   29    H    CYS   5           H        CYS   5  -3.254   7.064  -5.182
   30    HA   CYS   5           HA       CYS   5  -2.007   4.491  -5.707
   31   1HB   CYS   5          2HB       CYS   5  -3.099   5.503  -3.072
   32   2HB   CYS   5          1HB       CYS   5  -2.588   3.854  -3.375
   33    H    GLY   6           H        GLY   6  -4.487   4.107  -3.604
   34   1HA   GLY   6          2HA       GLY   6  -6.741   3.667  -3.757
   35   2HA   GLY   6          1HA       GLY   6  -6.745   4.478  -5.310
   36    H    GLU   7           H        GLU   7  -4.691   2.678  -6.439
   37    HA   GLU   7           HA       GLU   7  -6.504   0.652  -7.318
   38   1HB   GLU   7          2HB       GLU   7  -4.141  -0.109  -8.424
   39   2HB   GLU   7          1HB       GLU   7  -5.303   0.988  -9.148
   40   1HG   GLU   7          2HG       GLU   7  -3.236   2.017  -9.356
   41   2HG   GLU   7          1HG       GLU   7  -4.039   2.849  -8.043
   42    H    THR   8           H        THR   8  -5.331  -1.566  -7.750
   43    HA   THR   8           HA       THR   8  -5.209  -2.806  -5.175
   44    HB   THR   8           HB       THR   8  -4.752  -4.893  -6.647
   45    HG1  THR   8           1HG      THR   8  -4.212  -3.400  -8.488
   46   1HG2  THR   8          1HG2      THR   8  -7.312  -3.309  -6.893
   47   2HG2  THR   8          2HG2      THR   8  -6.909  -4.467  -5.627
   48   3HG2  THR   8          3HG2      THR   8  -7.143  -5.020  -7.285
   49    H    CYS   9           H        CYS   9  -3.534  -3.893  -4.226
   50    HA   CYS   9           HA       CYS   9  -0.934  -3.989  -5.463
   51   1HB   CYS   9          2HB       CYS   9  -0.846  -1.765  -4.552
   52   2HB   CYS   9          1HB       CYS   9  -1.508  -2.311  -3.018
   53    H    PHE  10           H        PHE  10  -0.684  -6.095  -5.199
   54    HA   PHE  10           HA       PHE  10  -1.486  -7.445  -2.770
   55   1HB   PHE  10          2HB       PHE  10  -0.342  -8.454  -5.379
   56   2HB   PHE  10          1HB       PHE  10  -0.789  -9.488  -4.038
   57    HD1  PHE  10           1HD      PHE  10  -2.385  -6.694  -5.955
   58    HD2  PHE  10           2HD      PHE  10  -2.758 -10.601  -4.311
   59    HE1  PHE  10           1HE      PHE  10  -4.677  -6.841  -6.835
   60    HE2  PHE  10           2HE      PHE  10  -5.051 -10.754  -5.187
   61    HZ   PHE  10           HZ       PHE  10  -6.014  -8.873  -6.452
   62    H    LYS  11           H        LYS  11   0.537  -5.769  -2.046
   63    HA   LYS  11           HA       LYS  11   2.442  -7.503  -0.919
   64   1HB   LYS  11          2HB       LYS  11   3.129  -7.254  -3.466
   65   2HB   LYS  11          1HB       LYS  11   3.819  -5.738  -2.903
   66   1HG   LYS  11          2HG       LYS  11   5.200  -6.925  -1.306
   67   2HG   LYS  11          1HG       LYS  11   4.467  -8.458  -1.784
   68   1HD   LYS  11          2HD       LYS  11   5.310  -8.041  -4.103
   69   2HD   LYS  11          1HD       LYS  11   6.185  -6.644  -3.471
   70   1HE   LYS  11          2HE       LYS  11   7.662  -8.561  -3.606
   71   2HE   LYS  11          1HE       LYS  11   7.389  -8.122  -1.919
   72   1HZ   LYS  11          1HZ       LYS  11   6.724 -10.188  -1.557
   73   2HZ   LYS  11          2HZ       LYS  11   6.899 -10.583  -3.193
   74   3HZ   LYS  11          3HZ       LYS  11   5.429  -9.968  -2.625
   75    H    PHE  12           H        PHE  12   4.104  -4.766  -1.877
   76    HA   PHE  12           HA       PHE  12   3.006  -2.936   0.057
   77   1HB   PHE  12          2HB       PHE  12   5.234  -2.657   1.223
   78   2HB   PHE  12          1HB       PHE  12   4.376  -4.144   1.592
   79    HD1  PHE  12           1HD      PHE  12   7.168  -2.735  -0.395
   80    HD2  PHE  12           2HD      PHE  12   5.370  -6.229   1.238
   81    HE1  PHE  12           1HE      PHE  12   9.178  -4.039  -0.975
   82    HE2  PHE  12           2HE      PHE  12   7.373  -7.538   0.661
   83    HZ   PHE  12           HZ       PHE  12   9.280  -6.442  -0.447
   84    H    LYS  13           H        LYS  13   2.915  -2.602  -2.521
   85    HA   LYS  13           HA       LYS  13   5.247  -1.224  -3.494
   86   1HB   LYS  13          2HB       LYS  13   4.274  -2.400  -5.219
   87   2HB   LYS  13          1HB       LYS  13   2.644  -2.102  -4.644
   88   1HG   LYS  13          2HG       LYS  13   4.173   0.216  -5.689
   89   2HG   LYS  13          1HG       LYS  13   3.602  -0.989  -6.845
   90   1HD   LYS  13          2HD       LYS  13   1.319  -0.715  -6.012
   91   2HD   LYS  13          1HD       LYS  13   1.884   0.464  -4.829
   92   1HE   LYS  13          2HE       LYS  13   2.645   1.906  -6.686
   93   2HE   LYS  13          1HE       LYS  13   1.979   0.742  -7.831
   94   1HZ   LYS  13          1HZ       LYS  13   0.227   1.833  -5.740
   95   2HZ   LYS  13          2HZ       LYS  13  -0.171   1.295  -7.294
   96   3HZ   LYS  13          3HZ       LYS  13   0.587   2.795  -7.081
   97    H    CYS  14           H        CYS  14   2.128  -0.374  -2.193
   98    HA   CYS  14           HA       CYS  14   2.558   2.417  -2.858
   99   1HB   CYS  14          2HB       CYS  14   0.295   0.930  -1.553
  100   2HB   CYS  14          1HB       CYS  14   0.362   2.689  -1.565
  101    H    TYR  15           H        TYR  15   3.835   3.566  -1.673
  102    HA   TYR  15           HA       TYR  15   3.643   3.451   1.228
  103   1HB   TYR  15          2HB       TYR  15   6.220   3.631   1.280
  104   2HB   TYR  15          1HB       TYR  15   5.500   2.050   1.019
  105    HD1  TYR  15           1HD      TYR  15   6.465   0.730  -0.590
  106    HD2  TYR  15           2HD      TYR  15   6.670   4.960  -1.044
  107    HE1  TYR  15           1HE      TYR  15   7.829   0.445  -2.617
  108    HE2  TYR  15           2HE      TYR  15   8.026   4.681  -3.076
  109    HH   TYR  15           HH       TYR  15   8.474   1.609  -4.581
  110    H    THR  16           H        THR  16   2.858   5.196  -1.000
  111    HA   THR  16           HA       THR  16   4.441   7.563  -1.019
  112    HB   THR  16           HB       THR  16   1.507   7.595  -1.637
  113    HG1  THR  16           1HG      THR  16   1.707   6.262  -3.334
  114   1HG2  THR  16          1HG2      THR  16   3.989   8.752  -2.895
  115   2HG2  THR  16          2HG2      THR  16   2.626   9.607  -2.174
  116   3HG2  THR  16          3HG2      THR  16   2.424   8.763  -3.709
  117    HA   PRO  17           HA       PRO  17   3.227   9.470   2.842
  118   1HB   PRO  17          2HB       PRO  17   2.629  12.036   1.858
  119   2HB   PRO  17          1HB       PRO  17   4.191  11.490   2.472
  120   1HG   PRO  17          2HG       PRO  17   3.233  11.719  -0.338
  121   2HG   PRO  17          1HG       PRO  17   4.858  11.974   0.323
  122   1HD   PRO  17          2HD       PRO  17   4.246   9.762  -1.058
  123   2HD   PRO  17          1HD       PRO  17   5.339   9.700   0.342
  124    H    ARG  18           H        ARG  18   1.369   8.802   3.601
  125    HA   ARG  18           HA       ARG  18  -0.804   8.724   4.184
  126   1HB   ARG  18          2HB       ARG  18  -1.025  11.127   3.805
  127   2HB   ARG  18          1HB       ARG  18  -1.233  10.854   2.084
  128   1HG   ARG  18          2HG       ARG  18  -3.335  11.342   3.399
  129   2HG   ARG  18          1HG       ARG  18  -3.380   9.893   2.397
  130   1HD   ARG  18          2HD       ARG  18  -2.656   8.640   4.516
  131   2HD   ARG  18          1HD       ARG  18  -3.102  10.108   5.383
  132    HE   ARG  18           HE       ARG  18  -5.307   9.568   5.098
  133   1HH1  ARG  18          1HH1      ARG  18  -3.448   7.627   2.829
  134   2HH1  ARG  18          2HH1      ARG  18  -4.784   6.582   2.431
  135   1HH2  ARG  18          1HH2      ARG  18  -7.065   8.204   4.524
  136   2HH2  ARG  18          2HH2      ARG  18  -6.818   6.928   3.374
  137    H    CYS  19           H        CYS  19   0.387   6.924   2.566
  138    HA   CYS  19           HA       CYS  19  -1.886   5.740   1.263
  139   1HB   CYS  19          2HB       CYS  19  -1.040   6.875  -0.655
  140   2HB   CYS  19          1HB       CYS  19   0.622   6.448  -0.261
  141    H    SER  20           H        SER  20  -1.869   3.595   1.563
  142    HA   SER  20           HA       SER  20   0.681   2.307   2.205
  143   1HB   SER  20          2HB       SER  20  -1.249   1.133   3.894
  144   2HB   SER  20          1HB       SER  20   0.160   2.083   4.351
  145    HG   SER  20           HG       SER  20  -1.959   3.593   3.481
  146    H    CYS  21           H        CYS  21   0.931   0.379   1.353
  147    HA   CYS  21           HA       CYS  21  -1.139  -0.628  -0.376
  148   1HB   CYS  21          2HB       CYS  21   1.082  -0.807  -1.236
  149   2HB   CYS  21          1HB       CYS  21   1.669  -1.609   0.214
  150    H    SER  22           H        SER  22  -2.785  -1.184   0.956
  151    HA   SER  22           HA       SER  22  -2.321  -3.183   3.027
  152   1HB   SER  22          2HB       SER  22  -3.703  -1.365   3.768
  153   2HB   SER  22          1HB       SER  22  -4.675  -1.419   2.300
  154    HG   SER  22           HG       SER  22  -4.555  -3.524   4.204
  155    H    TYR  23           H        TYR  23  -1.776  -4.809   1.557
  156    HA   TYR  23           HA       TYR  23  -2.919  -5.603  -0.712
  157   1HB   TYR  23          2HB       TYR  23  -2.030  -7.748  -0.409
  158   2HB   TYR  23          1HB       TYR  23  -1.006  -6.708   0.571
  159    HD1  TYR  23           1HD      TYR  23  -3.607  -9.305   0.638
  160    HD2  TYR  23           2HD      TYR  23  -0.938  -6.944   2.968
  161    HE1  TYR  23           1HE      TYR  23  -4.007 -10.771   2.576
  162    HE2  TYR  23           2HE      TYR  23  -1.333  -8.401   4.909
  163    HH   TYR  23           HH       TYR  23  -3.862 -10.540   5.117
  164    HA   PRO  24           HA       PRO  24  -3.546  -6.398  -1.953
  165   1HB   PRO  24          2HB       PRO  24  -5.325  -7.207  -3.740
  166   2HB   PRO  24          1HB       PRO  24  -4.644  -8.350  -2.584
  167   1HG   PRO  24          2HG       PRO  24  -7.357  -7.161  -2.677
  168   2HG   PRO  24          1HG       PRO  24  -6.827  -8.702  -1.983
  169   1HD   PRO  24          2HD       PRO  24  -7.231  -6.170  -0.641
  170   2HD   PRO  24          1HD       PRO  24  -6.778  -7.735   0.070
  171    H    VAL  25           H        VAL  25  -4.818  -3.940  -0.784
  172    HA   VAL  25           HA       VAL  25  -5.239  -2.540  -3.324
  173    HB   VAL  25           HB       VAL  25  -7.202  -1.977  -1.134
  174   1HG1  VAL  25          1HG1      VAL  25  -7.580  -0.279  -2.509
  175   2HG1  VAL  25          2HG1      VAL  25  -8.406  -1.455  -3.532
  176   3HG1  VAL  25          3HG1      VAL  25  -6.718  -1.048  -3.842
  177   1HG2  VAL  25          1HG2      VAL  25  -8.803  -3.469  -1.871
  178   2HG2  VAL  25          2HG2      VAL  25  -7.326  -4.426  -2.003
  179   3HG2  VAL  25          3HG2      VAL  25  -8.029  -3.685  -3.441
  180    H    CYS  26           H        CYS  26  -4.501  -0.509  -3.295
  181    HA   CYS  26           HA       CYS  26  -3.012   0.414  -1.031
  182   1HB   CYS  26          2HB       CYS  26  -3.654   1.642  -3.715
  183   2HB   CYS  26          1HB       CYS  26  -2.573   2.352  -2.534
  184    H    LYS  27           H        LYS  27  -3.623   1.917   0.458
  185    HA   LYS  27           HA       LYS  27  -6.121   3.372   0.005
  186   1HB   LYS  27          2HB       LYS  27  -5.334   1.958   2.564
  187   2HB   LYS  27          1HB       LYS  27  -6.789   2.895   2.306
  188   1HG   LYS  27          2HG       LYS  27  -7.602   1.279   0.705
  189   2HG   LYS  27          1HG       LYS  27  -6.097   0.368   0.832
  190   1HD   LYS  27          2HD       LYS  27  -6.594   0.024   3.252
  191   2HD   LYS  27          1HD       LYS  27  -8.162   0.790   2.989
  192   1HE   LYS  27          2HE       LYS  27  -8.428  -1.604   2.918
  193   2HE   LYS  27          1HE       LYS  27  -8.683  -0.943   1.304
  194   1HZ   LYS  27          1HZ       LYS  27  -6.340  -2.444   2.323
  195   2HZ   LYS  27          2HZ       LYS  27  -6.255  -1.515   0.908
  196   3HZ   LYS  27          3HZ       LYS  27  -7.334  -2.813   1.003
  Start of MODEL    3
    1   1H    SER   1          1HT       SER   1   1.279   4.283  -8.148
    2   2H    SER   1          2HT       SER   1   1.536   3.563  -9.656
    3   3H    SER   1          3HT       SER   1   0.053   4.300  -9.319
    4    HA   SER   1           HA       SER   1   2.221   5.449 -10.561
    5   1HB   SER   1          2HB       SER   1  -0.171   6.733  -9.208
    6   2HB   SER   1          1HB       SER   1   0.767   7.430 -10.530
    7    HG   SER   1           HG       SER   1  -1.309   5.790 -10.694
    8    H    ALA   2           H        ALA   2   1.751   8.149  -9.100
    9    HA   ALA   2           HA       ALA   2   4.080   7.927  -7.388
   10   1HB   ALA   2          1HB       ALA   2   3.750   9.878  -8.900
   11   2HB   ALA   2          2HB       ALA   2   3.964  10.336  -7.210
   12   3HB   ALA   2          3HB       ALA   2   2.354  10.348  -7.930
   13    H    ILE   3           H        ILE   3   0.939   9.501  -6.884
   14    HA   ILE   3           HA       ILE   3   0.986   8.761  -4.084
   15    HB   ILE   3           HB       ILE   3  -1.156  10.359  -5.502
   16   1HG1  ILE   3          2HG1      ILE   3   1.302  11.415  -4.082
   17   2HG1  ILE   3          1HG1      ILE   3   1.080  11.400  -5.828
   18   1HG2  ILE   3          1HG2      ILE   3  -1.791   9.506  -3.319
   19   2HG2  ILE   3          2HG2      ILE   3  -1.569  11.255  -3.241
   20   3HG2  ILE   3          3HG2      ILE   3  -0.325  10.179  -2.605
   21   1HD1  ILE   3          1HD1      ILE   3  -0.955  12.759  -4.139
   22   2HD1  ILE   3          2HD1      ILE   3  -0.431  13.114  -5.785
   23   3HD1  ILE   3          3HD1      ILE   3   0.596  13.549  -4.419
   24    H    SER   4           H        SER   4   0.931   6.536  -5.192
   25    HA   SER   4           HA       SER   4  -1.313   5.510  -6.429
   26   1HB   SER   4          2HB       SER   4   0.559   3.978  -4.638
   27   2HB   SER   4          1HB       SER   4  -0.327   3.392  -6.041
   28    HG   SER   4           HG       SER   4   2.061   4.702  -5.915
   29    H    CYS   5           H        CYS   5  -3.264   5.309  -5.727
   30    HA   CYS   5           HA       CYS   5  -3.848   4.114  -3.165
   31   1HB   CYS   5          2HB       CYS   5  -4.350   6.943  -3.794
   32   2HB   CYS   5          1HB       CYS   5  -5.753   6.077  -3.203
   33    H    GLY   6           H        GLY   6  -4.983   5.511  -6.187
   34   1HA   GLY   6          2HA       GLY   6  -7.399   3.932  -6.219
   35   2HA   GLY   6          1HA       GLY   6  -6.831   5.001  -7.493
   36    H    GLU   7           H        GLU   7  -5.226   2.246  -5.945
   37    HA   GLU   7           HA       GLU   7  -5.574   0.574  -8.255
   38   1HB   GLU   7          2HB       GLU   7  -3.210   0.277  -8.763
   39   2HB   GLU   7          1HB       GLU   7  -3.679   1.950  -8.988
   40   1HG   GLU   7          2HG       GLU   7  -2.771   2.309  -6.620
   41   2HG   GLU   7          1HG       GLU   7  -1.998   0.743  -6.831
   42    H    THR   8           H        THR   8  -4.840  -1.559  -7.903
   43    HA   THR   8           HA       THR   8  -5.052  -2.319  -5.122
   44    HB   THR   8           HB       THR   8  -4.969  -4.683  -6.191
   45    HG1  THR   8           1HG      THR   8  -5.689  -4.541  -8.444
   46   1HG2  THR   8          1HG2      THR   8  -7.363  -4.461  -6.902
   47   2HG2  THR   8          2HG2      THR   8  -7.201  -2.717  -6.693
   48   3HG2  THR   8          3HG2      THR   8  -7.011  -3.791  -5.309
   49    H    CYS   9           H        CYS   9  -3.616  -3.829  -4.097
   50    HA   CYS   9           HA       CYS   9  -1.011  -4.226  -5.261
   51   1HB   CYS   9          2HB       CYS   9  -0.691  -2.034  -4.329
   52   2HB   CYS   9          1HB       CYS   9  -1.420  -2.526  -2.802
   53    H    PHE  10           H        PHE  10  -0.984  -6.348  -4.991
   54    HA   PHE  10           HA       PHE  10  -1.821  -7.540  -2.472
   55   1HB   PHE  10          2HB       PHE  10  -1.073  -8.725  -5.150
   56   2HB   PHE  10          1HB       PHE  10  -1.455  -9.687  -3.736
   57    HD1  PHE  10           1HD      PHE  10  -2.982  -6.784  -5.539
   58    HD2  PHE  10           2HD      PHE  10  -3.548 -10.596  -3.732
   59    HE1  PHE  10           1HE      PHE  10  -5.366  -6.708  -6.135
   60    HE2  PHE  10           2HE      PHE  10  -5.934 -10.525  -4.323
   61    HZ   PHE  10           HZ       PHE  10  -6.846  -8.580  -5.528
   62    H    LYS  11           H        LYS  11   0.545  -5.982  -2.330
   63    HA   LYS  11           HA       LYS  11   2.350  -7.889  -1.206
   64   1HB   LYS  11          2HB       LYS  11   2.742  -7.756  -3.838
   65   2HB   LYS  11          1HB       LYS  11   3.658  -6.326  -3.388
   66   1HG   LYS  11          2HG       LYS  11   5.258  -8.006  -3.439
   67   2HG   LYS  11          1HG       LYS  11   4.865  -7.872  -1.724
   68   1HD   LYS  11          2HD       LYS  11   3.530  -9.865  -3.543
   69   2HD   LYS  11          1HD       LYS  11   5.026 -10.223  -2.684
   70   1HE   LYS  11          2HE       LYS  11   3.997 -10.153  -0.605
   71   2HE   LYS  11          1HE       LYS  11   2.641  -9.194  -1.198
   72   1HZ   LYS  11          1HZ       LYS  11   1.640 -11.029  -2.134
   73   2HZ   LYS  11          2HZ       LYS  11   2.294 -11.681  -0.716
   74   3HZ   LYS  11          3HZ       LYS  11   3.072 -11.932  -2.197
   75    H    PHE  12           H        PHE  12   4.183  -5.401  -2.430
   76    HA   PHE  12           HA       PHE  12   3.552  -3.459  -0.336
   77   1HB   PHE  12          2HB       PHE  12   6.300  -4.676  -0.751
   78   2HB   PHE  12          1HB       PHE  12   5.975  -3.263   0.243
   79    HD1  PHE  12           1HD      PHE  12   5.471  -6.900  -0.061
   80    HD2  PHE  12           2HD      PHE  12   5.103  -3.472   2.436
   81    HE1  PHE  12           1HE      PHE  12   5.054  -8.359   1.875
   82    HE2  PHE  12           2HE      PHE  12   4.686  -4.926   4.376
   83    HZ   PHE  12           HZ       PHE  12   4.662  -7.373   4.097
   84    H    LYS  13           H        LYS  13   2.758  -2.811  -2.615
   85    HA   LYS  13           HA       LYS  13   4.819  -1.750  -4.328
   86   1HB   LYS  13          2HB       LYS  13   2.243  -2.721  -4.714
   87   2HB   LYS  13          1HB       LYS  13   2.106  -0.995  -5.020
   88   1HG   LYS  13          2HG       LYS  13   3.709  -1.094  -6.774
   89   2HG   LYS  13          1HG       LYS  13   4.152  -2.753  -6.354
   90   1HD   LYS  13          2HD       LYS  13   2.703  -2.721  -8.313
   91   2HD   LYS  13          1HD       LYS  13   1.898  -3.505  -6.955
   92   1HE   LYS  13          2HE       LYS  13   0.310  -2.075  -8.032
   93   2HE   LYS  13          1HE       LYS  13   0.738  -1.347  -6.485
   94   1HZ   LYS  13          1HZ       LYS  13   0.694   0.349  -8.153
   95   2HZ   LYS  13          2HZ       LYS  13   1.729  -0.541  -9.162
   96   3HZ   LYS  13          3HZ       LYS  13   2.310   0.090  -7.707
   97    H    CYS  14           H        CYS  14   2.013  -0.397  -2.654
   98    HA   CYS  14           HA       CYS  14   3.021   2.282  -3.098
   99   1HB   CYS  14          2HB       CYS  14   0.492   1.408  -1.694
  100   2HB   CYS  14          1HB       CYS  14   0.871   3.026  -2.283
  101    H    TYR  15           H        TYR  15   3.669   3.697  -1.532
  102    HA   TYR  15           HA       TYR  15   3.545   3.038   1.262
  103   1HB   TYR  15          2HB       TYR  15   6.125   3.311   1.444
  104   2HB   TYR  15          1HB       TYR  15   5.467   1.747   0.981
  105    HD1  TYR  15           1HD      TYR  15   6.478   0.658  -0.768
  106    HD2  TYR  15           2HD      TYR  15   6.631   4.911  -0.666
  107    HE1  TYR  15           1HE      TYR  15   7.885   0.652  -2.785
  108    HE2  TYR  15           2HE      TYR  15   8.034   4.914  -2.684
  109    HH   TYR  15           HH       TYR  15   8.385   2.292  -4.684
  110    H    THR  16           H        THR  16   2.694   5.065  -0.581
  111    HA   THR  16           HA       THR  16   4.224   7.459   0.006
  112    HB   THR  16           HB       THR  16   1.502   7.421  -1.274
  113    HG1  THR  16           1HG      THR  16   3.160   7.129  -3.245
  114   1HG2  THR  16          1HG2      THR  16   2.491   9.590  -1.041
  115   2HG2  THR  16          2HG2      THR  16   2.597   9.135  -2.742
  116   3HG2  THR  16          3HG2      THR  16   4.023   9.024  -1.709
  117    HA   PRO  17           HA       PRO  17   2.043   8.535   3.753
  118   1HB   PRO  17          2HB       PRO  17   1.758  11.256   2.569
  119   2HB   PRO  17          1HB       PRO  17   2.404  10.776   4.143
  120   1HG   PRO  17          2HG       PRO  17   4.033  11.532   2.174
  121   2HG   PRO  17          1HG       PRO  17   4.475  10.208   3.270
  122   1HD   PRO  17          2HD       PRO  17   3.514  10.097   0.449
  123   2HD   PRO  17          1HD       PRO  17   4.683   9.057   1.286
  124    H    ARG  18           H        ARG  18   0.012   7.918   4.065
  125    HA   ARG  18           HA       ARG  18  -2.238   7.741   3.997
  126   1HB   ARG  18          2HB       ARG  18  -2.266  10.182   4.124
  127   2HB   ARG  18          1HB       ARG  18  -2.081  10.293   2.384
  128   1HG   ARG  18          2HG       ARG  18  -4.387  10.719   3.192
  129   2HG   ARG  18          1HG       ARG  18  -4.270   9.402   2.024
  130   1HD   ARG  18          2HD       ARG  18  -4.257   7.800   3.927
  131   2HD   ARG  18          1HD       ARG  18  -4.533   9.155   5.018
  132    HE   ARG  18           HE       ARG  18  -6.732   9.100   4.443
  133   1HH1  ARG  18          1HH1      ARG  18  -4.932   7.407   1.940
  134   2HH1  ARG  18          2HH1      ARG  18  -6.356   6.969   1.052
  135   1HH2  ARG  18          1HH2      ARG  18  -8.601   8.509   3.263
  136   2HH2  ARG  18          2HH2      ARG  18  -8.439   7.594   1.803
  137    H    CYS  19           H        CYS  19  -0.357   6.772   1.818
  138    HA   CYS  19           HA       CYS  19  -2.397   5.629   0.148
  139   1HB   CYS  19          2HB       CYS  19  -0.396   7.614  -0.805
  140   2HB   CYS  19          1HB       CYS  19  -0.736   6.237  -1.833
  141    H    SER  20           H        SER  20  -1.312   4.097   1.863
  142    HA   SER  20           HA       SER  20   1.164   2.974   0.779
  143   1HB   SER  20          2HB       SER  20   1.176   3.508   3.163
  144   2HB   SER  20          1HB       SER  20  -0.179   2.420   3.426
  145    HG   SER  20           HG       SER  20   2.127   1.672   3.783
  146    H    CYS  21           H        CYS  21   1.399   0.655   0.848
  147    HA   CYS  21           HA       CYS  21  -0.831  -0.528  -0.546
  148   1HB   CYS  21          2HB       CYS  21   1.290  -1.017  -1.493
  149   2HB   CYS  21          1HB       CYS  21   1.953  -1.569   0.036
  150    H    SER  22           H        SER  22  -2.403  -0.687   0.924
  151    HA   SER  22           HA       SER  22  -2.013  -2.343   3.303
  152   1HB   SER  22          2HB       SER  22  -3.272  -0.165   3.465
  153   2HB   SER  22          1HB       SER  22  -4.466  -0.825   2.350
  154    HG   SER  22           HG       SER  22  -4.759  -2.537   3.939
  155    H    TYR  23           H        TYR  23  -1.535  -4.060   1.743
  156    HA   TYR  23           HA       TYR  23  -2.876  -5.099  -0.251
  157   1HB   TYR  23          2HB       TYR  23  -1.980  -7.206   0.198
  158   2HB   TYR  23          1HB       TYR  23  -0.894  -6.095   1.013
  159    HD1  TYR  23           1HD      TYR  23  -3.500  -8.644   1.485
  160    HD2  TYR  23           2HD      TYR  23  -0.673  -6.107   3.405
  161    HE1  TYR  23           1HE      TYR  23  -3.777  -9.921   3.570
  162    HE2  TYR  23           2HE      TYR  23  -0.941  -7.378   5.496
  163    HH   TYR  23           HH       TYR  23  -3.467  -9.740   5.880
  164    HA   PRO  24           HA       PRO  24  -3.580  -6.070  -1.358
  165   1HB   PRO  24          2HB       PRO  24  -5.496  -6.936  -2.962
  166   2HB   PRO  24          1HB       PRO  24  -4.801  -8.002  -1.741
  167   1HG   PRO  24          2HG       PRO  24  -7.447  -6.651  -1.781
  168   2HG   PRO  24          1HG       PRO  24  -6.976  -8.185  -1.030
  169   1HD   PRO  24          2HD       PRO  24  -7.174  -5.599   0.206
  170   2HD   PRO  24          1HD       PRO  24  -6.679  -7.132   0.953
  171    H    VAL  25           H        VAL  25  -4.671  -3.452  -0.355
  172    HA   VAL  25           HA       VAL  25  -5.124  -2.249  -2.991
  173    HB   VAL  25           HB       VAL  25  -6.930  -1.404  -0.742
  174   1HG1  VAL  25          1HG1      VAL  25  -8.263  -0.825  -2.988
  175   2HG1  VAL  25          2HG1      VAL  25  -6.608  -0.745  -3.595
  176   3HG1  VAL  25          3HG1      VAL  25  -7.099   0.267  -2.237
  177   1HG2  VAL  25          1HG2      VAL  25  -8.042  -3.339  -0.905
  178   2HG2  VAL  25          2HG2      VAL  25  -7.221  -3.792  -2.398
  179   3HG2  VAL  25          3HG2      VAL  25  -8.616  -2.715  -2.451
  180    H    CYS  26           H        CYS  26  -4.397  -0.131  -3.126
  181    HA   CYS  26           HA       CYS  26  -2.653   0.704  -0.998
  182   1HB   CYS  26          2HB       CYS  26  -3.268   1.862  -3.718
  183   2HB   CYS  26          1HB       CYS  26  -2.054   2.487  -2.618
  184    H    LYS  27           H        LYS  27  -3.250   1.964   0.613
  185    HA   LYS  27           HA       LYS  27  -5.073   4.178   0.218
  186   1HB   LYS  27          2HB       LYS  27  -6.613   2.312   0.656
  187   2HB   LYS  27          1HB       LYS  27  -5.713   1.879   2.097
  188   1HG   LYS  27          2HG       LYS  27  -7.040   4.556   1.823
  189   2HG   LYS  27          1HG       LYS  27  -7.924   3.133   2.368
  190   1HD   LYS  27          2HD       LYS  27  -5.502   4.369   3.684
  191   2HD   LYS  27          1HD       LYS  27  -7.161   4.418   4.277
  192   1HE   LYS  27          2HE       LYS  27  -6.249   2.727   5.556
  193   2HE   LYS  27          1HE       LYS  27  -6.972   1.822   4.230
  194   1HZ   LYS  27          1HZ       LYS  27  -4.343   1.739   5.070
  195   2HZ   LYS  27          2HZ       LYS  27  -4.298   2.560   3.589
  196   3HZ   LYS  27          3HZ       LYS  27  -4.992   1.016   3.688
  Start of MODEL    4
    1   1H    SER   1          1HT       SER   1   0.845  15.512  -6.133
    2   2H    SER   1          2HT       SER   1  -0.037  14.663  -7.303
    3   3H    SER   1          3HT       SER   1   1.170  13.874  -6.413
    4    HA   SER   1           HA       SER   1  -0.906  15.104  -4.832
    5   1HB   SER   1          2HB       SER   1  -1.502  12.595  -6.414
    6   2HB   SER   1          1HB       SER   1  -2.617  13.543  -5.424
    7    HG   SER   1           HG       SER   1  -2.943  14.054  -7.589
    8    H    ALA   2           H        ALA   2  -1.154  13.911  -2.890
    9    HA   ALA   2           HA       ALA   2   1.126  12.271  -2.236
   10   1HB   ALA   2          1HB       ALA   2  -1.045  13.610  -0.732
   11   2HB   ALA   2          2HB       ALA   2   0.691  13.569  -0.426
   12   3HB   ALA   2          3HB       ALA   2  -0.314  12.187   0.011
   13    H    ILE   3           H        ILE   3  -2.397  11.816  -1.957
   14    HA   ILE   3           HA       ILE   3  -2.131   8.998  -1.618
   15    HB   ILE   3           HB       ILE   3  -3.882  10.220  -0.450
   16   1HG1  ILE   3          2HG1      ILE   3  -5.807   8.762  -0.962
   17   2HG1  ILE   3          1HG1      ILE   3  -5.028   8.269  -2.461
   18   1HG2  ILE   3          1HG2      ILE   3  -4.572  11.122  -3.164
   19   2HG2  ILE   3          2HG2      ILE   3  -4.720  11.947  -1.613
   20   3HG2  ILE   3          3HG2      ILE   3  -5.930  10.761  -2.098
   21   1HD1  ILE   3          1HD1      ILE   3  -4.492   7.449   0.316
   22   2HD1  ILE   3          2HD1      ILE   3  -3.088   7.638  -0.734
   23   3HD1  ILE   3          3HD1      ILE   3  -4.385   6.531  -1.186
   24    H    SER   4           H        SER   4  -0.870   9.434  -3.910
   25    HA   SER   4           HA       SER   4  -2.576   9.136  -6.203
   26   1HB   SER   4          2HB       SER   4   0.420   8.791  -5.947
   27   2HB   SER   4          1HB       SER   4  -0.494   9.017  -7.429
   28    HG   SER   4           HG       SER   4   0.410  10.864  -5.663
   29    H    CYS   5           H        CYS   5  -3.374   7.197  -4.607
   30    HA   CYS   5           HA       CYS   5  -2.196   4.759  -5.712
   31   1HB   CYS   5          2HB       CYS   5  -3.203   5.250  -2.904
   32   2HB   CYS   5          1HB       CYS   5  -2.636   3.713  -3.524
   33    H    GLY   6           H        GLY   6  -4.629   4.164  -3.502
   34   1HA   GLY   6          2HA       GLY   6  -6.915   3.836  -3.655
   35   2HA   GLY   6          1HA       GLY   6  -6.888   4.596  -5.235
   36    H    GLU   7           H        GLU   7  -4.993   2.868  -6.464
   37    HA   GLU   7           HA       GLU   7  -6.728   0.757  -7.254
   38   1HB   GLU   7          2HB       GLU   7  -4.885   0.089  -8.739
   39   2HB   GLU   7          1HB       GLU   7  -5.278   1.796  -8.866
   40   1HG   GLU   7          2HG       GLU   7  -3.354   2.370  -7.515
   41   2HG   GLU   7          1HG       GLU   7  -2.980   0.661  -7.290
   42    H    THR   8           H        THR   8  -5.279  -1.394  -7.735
   43    HA   THR   8           HA       THR   8  -5.235  -2.720  -5.201
   44    HB   THR   8           HB       THR   8  -4.502  -4.697  -6.678
   45    HG1  THR   8           1HG      THR   8  -3.964  -2.958  -8.407
   46   1HG2  THR   8          1HG2      THR   8  -6.685  -5.214  -6.800
   47   2HG2  THR   8          2HG2      THR   8  -7.052  -3.807  -7.799
   48   3HG2  THR   8          3HG2      THR   8  -6.961  -3.644  -6.044
   49    H    CYS   9           H        CYS   9  -3.524  -3.911  -4.289
   50    HA   CYS   9           HA       CYS   9  -0.818  -3.511  -5.268
   51   1HB   CYS   9          2HB       CYS   9  -1.287  -1.509  -3.880
   52   2HB   CYS   9          1HB       CYS   9  -1.650  -2.559  -2.519
   53    H    PHE  10           H        PHE  10  -0.807  -5.772  -5.486
   54    HA   PHE  10           HA       PHE  10  -1.444  -7.487  -3.283
   55   1HB   PHE  10          2HB       PHE  10  -0.256  -7.984  -6.009
   56   2HB   PHE  10          1HB       PHE  10  -0.523  -9.263  -4.839
   57    HD1  PHE  10           1HD      PHE  10  -2.398 -10.519  -5.174
   58    HD2  PHE  10           2HD      PHE  10  -2.475  -6.404  -6.258
   59    HE1  PHE  10           1HE      PHE  10  -4.709 -10.777  -5.980
   60    HE2  PHE  10           2HE      PHE  10  -4.786  -6.655  -7.062
   61    HZ   PHE  10           HZ       PHE  10  -5.906  -8.843  -6.924
   62    H    LYS  11           H        LYS  11   0.406  -5.846  -2.239
   63    HA   LYS  11           HA       LYS  11   2.351  -7.542  -1.202
   64   1HB   LYS  11          2HB       LYS  11   3.115  -6.943  -3.731
   65   2HB   LYS  11          1HB       LYS  11   3.859  -5.606  -2.860
   66   1HG   LYS  11          2HG       LYS  11   5.233  -7.012  -1.622
   67   2HG   LYS  11          1HG       LYS  11   4.230  -8.428  -1.939
   68   1HD   LYS  11          2HD       LYS  11   5.980  -6.976  -3.924
   69   2HD   LYS  11          1HD       LYS  11   6.278  -8.568  -3.224
   70   1HE   LYS  11          2HE       LYS  11   4.053  -7.777  -5.099
   71   2HE   LYS  11          1HE       LYS  11   5.396  -8.869  -5.434
   72   1HZ   LYS  11          1HZ       LYS  11   2.918  -9.353  -3.984
   73   2HZ   LYS  11          2HZ       LYS  11   4.307 -10.072  -3.332
   74   3HZ   LYS  11          3HZ       LYS  11   3.852 -10.410  -4.924
   75    H    PHE  12           H        PHE  12   4.040  -4.763  -1.777
   76    HA   PHE  12           HA       PHE  12   2.730  -3.061   0.157
   77   1HB   PHE  12          2HB       PHE  12   4.934  -2.898   1.484
   78   2HB   PHE  12          1HB       PHE  12   3.917  -4.304   1.765
   79    HD1  PHE  12           1HD      PHE  12   4.950  -6.338   1.876
   80    HD2  PHE  12           2HD      PHE  12   6.735  -3.271  -0.471
   81    HE1  PHE  12           1HE      PHE  12   6.853  -7.820   1.395
   82    HE2  PHE  12           2HE      PHE  12   8.640  -4.750  -0.962
   83    HZ   PHE  12           HZ       PHE  12   8.700  -7.028  -0.028
   84    H    LYS  13           H        LYS  13   3.029  -2.609  -2.480
   85    HA   LYS  13           HA       LYS  13   5.438  -1.069  -2.898
   86   1HB   LYS  13          2HB       LYS  13   4.685  -2.514  -4.694
   87   2HB   LYS  13          1HB       LYS  13   3.140  -1.683  -4.752
   88   1HG   LYS  13          2HG       LYS  13   4.696  -1.065  -6.579
   89   2HG   LYS  13          1HG       LYS  13   4.155   0.302  -5.608
   90   1HD   LYS  13          2HD       LYS  13   6.529   0.490  -6.080
   91   2HD   LYS  13          1HD       LYS  13   6.269   0.234  -4.356
   92   1HE   LYS  13          2HE       LYS  13   6.770  -2.169  -4.684
   93   2HE   LYS  13          1HE       LYS  13   7.130  -1.832  -6.377
   94   1HZ   LYS  13          1HZ       LYS  13   8.929  -1.772  -4.365
   95   2HZ   LYS  13          2HZ       LYS  13   8.544  -0.130  -4.527
   96   3HZ   LYS  13          3HZ       LYS  13   9.122  -1.003  -5.860
   97    H    CYS  14           H        CYS  14   2.101  -0.413  -2.175
   98    HA   CYS  14           HA       CYS  14   2.378   2.366  -2.938
   99   1HB   CYS  14          2HB       CYS  14   0.132   0.751  -1.778
  100   2HB   CYS  14          1HB       CYS  14   0.060   2.510  -1.786
  101    H    TYR  15           H        TYR  15   4.262   2.548  -1.524
  102    HA   TYR  15           HA       TYR  15   3.563   3.041   1.283
  103   1HB   TYR  15          2HB       TYR  15   6.167   3.266   1.435
  104   2HB   TYR  15          1HB       TYR  15   5.437   1.669   1.332
  105    HD1  TYR  15           1HD      TYR  15   6.520   4.290  -1.136
  106    HD2  TYR  15           2HD      TYR  15   6.609   0.198   0.031
  107    HE1  TYR  15           1HE      TYR  15   7.905   3.764  -3.100
  108    HE2  TYR  15           2HE      TYR  15   7.996  -0.336  -1.926
  109    HH   TYR  15           HH       TYR  15   9.328   2.160  -3.974
  110    H    THR  16           H        THR  16   2.903   4.677  -1.039
  111    HA   THR  16           HA       THR  16   4.493   7.007  -1.186
  112    HB   THR  16           HB       THR  16   1.584   7.213  -1.730
  113    HG1  THR  16           1HG      THR  16   1.532   5.650  -3.241
  114   1HG2  THR  16          1HG2      THR  16   4.103   8.212  -2.795
  115   2HG2  THR  16          2HG2      THR  16   2.478   8.885  -2.926
  116   3HG2  THR  16          3HG2      THR  16   3.013   7.646  -4.062
  117    HA   PRO  17           HA       PRO  17   3.439   9.194   2.546
  118   1HB   PRO  17          2HB       PRO  17   3.059  11.565   0.779
  119   2HB   PRO  17          1HB       PRO  17   4.054  11.390   2.230
  120   1HG   PRO  17          2HG       PRO  17   5.172  11.416  -0.186
  121   2HG   PRO  17          1HG       PRO  17   5.774  10.337   1.086
  122   1HD   PRO  17          2HD       PRO  17   4.094   9.706  -1.300
  123   2HD   PRO  17          1HD       PRO  17   5.366   8.739  -0.526
  124    H    ARG  18           H        ARG  18   1.545   9.070   3.523
  125    HA   ARG  18           HA       ARG  18  -0.644   9.230   4.053
  126   1HB   ARG  18          2HB       ARG  18  -0.329  11.585   3.187
  127   2HB   ARG  18          1HB       ARG  18  -0.945  11.022   1.646
  128   1HG   ARG  18          2HG       ARG  18  -3.081  10.449   2.712
  129   2HG   ARG  18          1HG       ARG  18  -2.450  11.011   4.262
  130   1HD   ARG  18          2HD       ARG  18  -2.815  12.685   1.780
  131   2HD   ARG  18          1HD       ARG  18  -3.864  12.695   3.195
  132    HE   ARG  18           HE       ARG  18  -1.213  13.248   3.977
  133   1HH1  ARG  18          1HH1      ARG  18  -3.906  14.708   2.295
  134   2HH1  ARG  18          2HH1      ARG  18  -3.437  16.333   2.672
  135   1HH2  ARG  18          1HH2      ARG  18  -0.578  15.395   4.486
  136   2HH2  ARG  18          2HH2      ARG  18  -1.535  16.725   3.922
  137    H    CYS  19           H        CYS  19   0.363   7.140   2.462
  138    HA   CYS  19           HA       CYS  19  -2.095   6.111   1.338
  139   1HB   CYS  19          2HB       CYS  19  -1.227   6.957  -0.690
  140   2HB   CYS  19          1HB       CYS  19   0.424   6.530  -0.264
  141    H    SER  20           H        SER  20  -2.251   3.917   1.647
  142    HA   SER  20           HA       SER  20   0.173   2.563   2.620
  143   1HB   SER  20          2HB       SER  20  -2.068   1.418   3.909
  144   2HB   SER  20          1HB       SER  20  -0.735   2.316   4.631
  145    HG   SER  20           HG       SER  20  -2.950   3.620   3.427
  146    H    CYS  21           H        CYS  21   0.563   0.633   1.825
  147    HA   CYS  21           HA       CYS  21  -1.306  -0.440  -0.124
  148   1HB   CYS  21          2HB       CYS  21   0.930  -0.399  -0.936
  149   2HB   CYS  21          1HB       CYS  21   1.572  -1.133   0.527
  150    H    SER  22           H        SER  22  -2.932  -1.178   1.192
  151    HA   SER  22           HA       SER  22  -2.295  -3.200   3.194
  152   1HB   SER  22          2HB       SER  22  -3.966  -1.414   3.734
  153   2HB   SER  22          1HB       SER  22  -4.976  -2.001   2.415
  154    HG   SER  22           HG       SER  22  -5.197  -3.959   3.511
  155    H    TYR  23           H        TYR  23  -1.544  -4.755   1.760
  156    HA   TYR  23           HA       TYR  23  -2.475  -5.585  -0.598
  157   1HB   TYR  23          2HB       TYR  23  -1.401  -7.640  -0.288
  158   2HB   TYR  23          1HB       TYR  23  -0.547  -6.546   0.787
  159    HD1  TYR  23           1HD      TYR  23  -0.612  -6.857   3.175
  160    HD2  TYR  23           2HD      TYR  23  -2.892  -9.368   0.602
  161    HE1  TYR  23           1HE      TYR  23  -0.980  -8.419   5.038
  162    HE2  TYR  23           2HE      TYR  23  -3.270 -10.936   2.464
  163    HH   TYR  23           HH       TYR  23  -3.275 -10.596   5.183
  164    HA   PRO  24           HA       PRO  24  -2.988  -6.362  -1.900
  165   1HB   PRO  24          2HB       PRO  24  -4.591  -7.285  -3.792
  166   2HB   PRO  24          1HB       PRO  24  -3.855  -8.391  -2.632
  167   1HG   PRO  24          2HG       PRO  24  -6.665  -7.471  -2.833
  168   2HG   PRO  24          1HG       PRO  24  -6.019  -8.972  -2.149
  169   1HD   PRO  24          2HD       PRO  24  -6.727  -6.523  -0.771
  170   2HD   PRO  24          1HD       PRO  24  -6.172  -8.061  -0.075
  171    H    VAL  25           H        VAL  25  -4.455  -4.033  -0.760
  172    HA   VAL  25           HA       VAL  25  -5.013  -2.686  -3.309
  173    HB   VAL  25           HB       VAL  25  -6.951  -2.178  -1.089
  174   1HG1  VAL  25          1HG1      VAL  25  -6.661  -0.749  -3.178
  175   2HG1  VAL  25          2HG1      VAL  25  -8.298  -1.238  -2.741
  176   3HG1  VAL  25          3HG1      VAL  25  -7.446  -2.072  -4.041
  177   1HG2  VAL  25          1HG2      VAL  25  -7.773  -4.254  -1.200
  178   2HG2  VAL  25          2HG2      VAL  25  -6.838  -4.639  -2.645
  179   3HG2  VAL  25          3HG2      VAL  25  -8.379  -3.794  -2.791
  180    H    CYS  26           H        CYS  26  -4.545  -0.523  -3.319
  181    HA   CYS  26           HA       CYS  26  -3.052   0.528  -1.077
  182   1HB   CYS  26          2HB       CYS  26  -3.739   1.792  -3.737
  183   2HB   CYS  26          1HB       CYS  26  -2.507   2.315  -2.612
  184    H    LYS  27           H        LYS  27  -3.973   1.836   0.440
  185    HA   LYS  27           HA       LYS  27  -6.274   3.457  -0.330
  186   1HB   LYS  27          2HB       LYS  27  -6.127   1.617   2.063
  187   2HB   LYS  27          1HB       LYS  27  -7.308   2.899   1.897
  188   1HG   LYS  27          2HG       LYS  27  -7.010   0.479   0.139
  189   2HG   LYS  27          1HG       LYS  27  -8.320   0.821   1.271
  190   1HD   LYS  27          2HD       LYS  27  -9.135   2.598  -0.064
  191   2HD   LYS  27          1HD       LYS  27  -7.676   2.619  -1.056
  192   1HE   LYS  27          2HE       LYS  27  -8.335   0.192  -1.652
  193   2HE   LYS  27          1HE       LYS  27  -9.928   0.649  -1.048
  194   1HZ   LYS  27          1HZ       LYS  27  -9.534   2.669  -2.648
  195   2HZ   LYS  27          2HZ       LYS  27 -10.139   1.203  -3.233
  196   3HZ   LYS  27          3HZ       LYS  27  -8.499   1.580  -3.432
  Start of MODEL    5
    1   1H    SER   1          1HT       SER   1   0.175   6.718 -11.858
    2   2H    SER   1          2HT       SER   1   1.327   5.484 -11.787
    3   3H    SER   1          3HT       SER   1   1.750   7.061 -11.342
    4    HA   SER   1           HA       SER   1  -0.481   6.005  -9.888
    5   1HB   SER   1          2HB       SER   1   2.258   4.746  -9.593
    6   2HB   SER   1          1HB       SER   1   0.839   4.400  -8.600
    7    HG   SER   1           HG       SER   1  -0.210   3.612 -10.448
    8    H    ALA   2           H        ALA   2   0.338   8.602 -10.107
    9    HA   ALA   2           HA       ALA   2   2.302   9.430  -8.253
   10   1HB   ALA   2          1HB       ALA   2   0.651  10.696 -10.081
   11   2HB   ALA   2          2HB       ALA   2   1.770  11.488  -8.972
   12   3HB   ALA   2          3HB       ALA   2   0.076  11.292  -8.523
   13    H    ILE   3           H        ILE   3  -1.226   9.277  -8.017
   14    HA   ILE   3           HA       ILE   3  -1.084   9.402  -5.127
   15    HB   ILE   3           HB       ILE   3  -3.548   9.230  -6.879
   16   1HG1  ILE   3          2HG1      ILE   3  -2.282  11.676  -5.616
   17   2HG1  ILE   3          1HG1      ILE   3  -2.231  11.282  -7.330
   18   1HG2  ILE   3          1HG2      ILE   3  -3.279   8.808  -4.165
   19   2HG2  ILE   3          2HG2      ILE   3  -4.773   9.220  -5.008
   20   3HG2  ILE   3          3HG2      ILE   3  -3.800  10.490  -4.267
   21   1HD1  ILE   3          1HD1      ILE   3  -3.917  12.991  -6.728
   22   2HD1  ILE   3          2HD1      ILE   3  -4.763  11.768  -5.780
   23   3HD1  ILE   3          3HD1      ILE   3  -4.598  11.572  -7.526
   24    H    SER   4           H        SER   4   0.013   7.398  -4.980
   25    HA   SER   4           HA       SER   4  -0.840   4.970  -6.061
   26   1HB   SER   4          2HB       SER   4   0.680   5.168  -3.485
   27   2HB   SER   4          1HB       SER   4   0.897   4.051  -4.829
   28    HG   SER   4           HG       SER   4   1.488   6.056  -6.051
   29    H    CYS   5           H        CYS   5  -3.199   5.597  -5.353
   30    HA   CYS   5           HA       CYS   5  -3.822   4.005  -2.972
   31   1HB   CYS   5          2HB       CYS   5  -4.710   6.755  -3.702
   32   2HB   CYS   5          1HB       CYS   5  -5.841   5.703  -2.878
   33    H    GLY   6           H        GLY   6  -4.996   5.440  -5.962
   34   1HA   GLY   6          2HA       GLY   6  -7.389   4.010  -6.204
   35   2HA   GLY   6          1HA       GLY   6  -6.495   4.721  -7.539
   36    H    GLU   7           H        GLU   7  -4.100   3.099  -7.033
   37    HA   GLU   7           HA       GLU   7  -4.918   0.806  -8.556
   38   1HB   GLU   7          2HB       GLU   7  -2.214   1.511  -7.428
   39   2HB   GLU   7          1HB       GLU   7  -2.539   0.209  -8.560
   40   1HG   GLU   7          2HG       GLU   7  -1.917   1.715 -10.061
   41   2HG   GLU   7          1HG       GLU   7  -3.578   2.273  -9.915
   42    H    THR   8           H        THR   8  -4.642  -1.336  -8.032
   43    HA   THR   8           HA       THR   8  -5.091  -1.983  -5.250
   44    HB   THR   8           HB       THR   8  -5.075  -4.385  -6.237
   45    HG1  THR   8           1HG      THR   8  -5.695  -4.082  -8.619
   46   1HG2  THR   8          1HG2      THR   8  -7.272  -4.071  -6.038
   47   2HG2  THR   8          2HG2      THR   8  -7.301  -3.314  -7.630
   48   3HG2  THR   8          3HG2      THR   8  -7.053  -2.327  -6.189
   49    H    CYS   9           H        CYS   9  -3.734  -3.640  -4.136
   50    HA   CYS   9           HA       CYS   9  -1.082  -4.025  -5.201
   51   1HB   CYS   9          2HB       CYS   9  -1.007  -1.773  -4.190
   52   2HB   CYS   9          1HB       CYS   9  -1.483  -2.474  -2.647
   53    H    PHE  10           H        PHE  10  -1.156  -6.179  -4.977
   54    HA   PHE  10           HA       PHE  10  -2.024  -7.374  -2.472
   55   1HB   PHE  10          2HB       PHE  10  -1.259  -8.547  -5.149
   56   2HB   PHE  10          1HB       PHE  10  -1.680  -9.516  -3.752
   57    HD1  PHE  10           1HD      PHE  10  -3.779 -10.405  -3.825
   58    HD2  PHE  10           2HD      PHE  10  -3.136  -6.554  -5.520
   59    HE1  PHE  10           1HE      PHE  10  -6.151 -10.296  -4.472
   60    HE2  PHE  10           2HE      PHE  10  -5.506  -6.437  -6.164
   61    HZ   PHE  10           HZ       PHE  10  -7.017  -8.310  -5.641
   62    H    LYS  11           H        LYS  11   0.444  -5.859  -2.432
   63    HA   LYS  11           HA       LYS  11   2.184  -7.826  -1.253
   64   1HB   LYS  11          2HB       LYS  11   2.951  -6.468  -3.828
   65   2HB   LYS  11          1HB       LYS  11   4.182  -6.933  -2.666
   66   1HG   LYS  11          2HG       LYS  11   2.217  -8.799  -3.978
   67   2HG   LYS  11          1HG       LYS  11   3.913  -8.600  -4.424
   68   1HD   LYS  11          2HD       LYS  11   4.653  -9.499  -2.355
   69   2HD   LYS  11          1HD       LYS  11   3.034  -9.412  -1.661
   70   1HE   LYS  11          2HE       LYS  11   3.602 -11.703  -2.260
   71   2HE   LYS  11          1HE       LYS  11   2.261 -11.109  -3.238
   72   1HZ   LYS  11          1HZ       LYS  11   4.124 -12.379  -4.399
   73   2HZ   LYS  11          2HZ       LYS  11   5.043 -10.971  -4.218
   74   3HZ   LYS  11          3HZ       LYS  11   3.604 -10.932  -5.107
   75    H    PHE  12           H        PHE  12   3.961  -5.217  -2.418
   76    HA   PHE  12           HA       PHE  12   3.265  -3.337  -0.328
   77   1HB   PHE  12          2HB       PHE  12   4.860  -4.959   0.752
   78   2HB   PHE  12          1HB       PHE  12   6.068  -4.483  -0.436
   79    HD1  PHE  12           1HD      PHE  12   7.712  -3.368   0.752
   80    HD2  PHE  12           2HD      PHE  12   3.626  -2.407   1.459
   81    HE1  PHE  12           1HE      PHE  12   8.404  -1.500   2.198
   82    HE2  PHE  12           2HE      PHE  12   4.311  -0.538   2.905
   83    HZ   PHE  12           HZ       PHE  12   6.703  -0.083   3.275
   84    H    LYS  13           H        LYS  13   2.804  -2.788  -2.792
   85    HA   LYS  13           HA       LYS  13   5.106  -1.619  -4.088
   86   1HB   LYS  13          2HB       LYS  13   3.627  -2.793  -5.538
   87   2HB   LYS  13          1HB       LYS  13   2.228  -1.941  -4.910
   88   1HG   LYS  13          2HG       LYS  13   4.259  -0.213  -6.130
   89   2HG   LYS  13          1HG       LYS  13   3.494  -1.356  -7.236
   90   1HD   LYS  13          2HD       LYS  13   2.026   0.565  -5.425
   91   2HD   LYS  13          1HD       LYS  13   2.313   0.811  -7.149
   92   1HE   LYS  13          2HE       LYS  13   0.998  -1.145  -7.687
   93   2HE   LYS  13          1HE       LYS  13   0.801  -1.522  -5.977
   94   1HZ   LYS  13          1HZ       LYS  13  -1.175  -0.470  -6.775
   95   2HZ   LYS  13          2HZ       LYS  13  -0.302   0.832  -7.414
   96   3HZ   LYS  13          3HZ       LYS  13  -0.392   0.616  -5.738
   97    H    CYS  14           H        CYS  14   2.110  -0.497  -2.607
   98    HA   CYS  14           HA       CYS  14   2.857   2.267  -3.099
   99   1HB   CYS  14          2HB       CYS  14   0.445   1.080  -1.712
  100   2HB   CYS  14          1HB       CYS  14   0.693   2.800  -1.990
  101    H    TYR  15           H        TYR  15   3.618   3.664  -1.607
  102    HA   TYR  15           HA       TYR  15   3.541   3.092   1.207
  103   1HB   TYR  15          2HB       TYR  15   6.135   3.384   1.316
  104   2HB   TYR  15          1HB       TYR  15   5.456   1.800   0.966
  105    HD1  TYR  15           1HD      TYR  15   6.462   0.599  -0.707
  106    HD2  TYR  15           2HD      TYR  15   6.543   4.851  -0.930
  107    HE1  TYR  15           1HE      TYR  15   7.820   0.464  -2.753
  108    HE2  TYR  15           2HE      TYR  15   7.895   4.722  -2.981
  109    HH   TYR  15           HH       TYR  15   8.255   1.944  -4.774
  110    H    THR  16           H        THR  16   2.642   5.030  -0.669
  111    HA   THR  16           HA       THR  16   4.150   7.462  -0.188
  112    HB   THR  16           HB       THR  16   1.440   7.335  -1.491
  113    HG1  THR  16           1HG      THR  16   2.510   6.660  -3.441
  114   1HG2  THR  16          1HG2      THR  16   3.950   8.953  -1.887
  115   2HG2  THR  16          2HG2      THR  16   2.339   9.521  -1.451
  116   3HG2  THR  16          3HG2      THR  16   2.653   8.928  -3.081
  117    HA   PRO  17           HA       PRO  17   1.979   8.692   3.511
  118   1HB   PRO  17          2HB       PRO  17   1.470  11.285   2.121
  119   2HB   PRO  17          1HB       PRO  17   2.146  10.984   3.725
  120   1HG   PRO  17          2HG       PRO  17   3.728  11.682   1.704
  121   2HG   PRO  17          1HG       PRO  17   4.248  10.468   2.887
  122   1HD   PRO  17          2HD       PRO  17   3.301  10.102   0.084
  123   2HD   PRO  17          1HD       PRO  17   4.522   9.189   0.992
  124    H    ARG  18           H        ARG  18   0.071   7.809   3.855
  125    HA   ARG  18           HA       ARG  18  -2.119   7.330   3.875
  126   1HB   ARG  18          2HB       ARG  18  -2.343   9.772   4.211
  127   2HB   ARG  18          1HB       ARG  18  -2.465   9.981   2.475
  128   1HG   ARG  18          2HG       ARG  18  -4.611   9.927   3.959
  129   2HG   ARG  18          1HG       ARG  18  -4.602   9.135   2.383
  130   1HD   ARG  18          2HD       ARG  18  -5.632   7.710   4.074
  131   2HD   ARG  18          1HD       ARG  18  -4.146   6.989   3.459
  132    HE   ARG  18           HE       ARG  18  -3.949   8.522   5.925
  133   1HH1  ARG  18          1HH1      ARG  18  -4.068   5.400   4.329
  134   2HH1  ARG  18          2HH1      ARG  18  -3.569   4.523   5.748
  135   1HH2  ARG  18          1HH2      ARG  18  -3.297   7.357   7.800
  136   2HH2  ARG  18          2HH2      ARG  18  -3.140   5.634   7.720
  137    H    CYS  19           H        CYS  19  -0.416   6.511   1.738
  138    HA   CYS  19           HA       CYS  19  -2.398   5.454  -0.048
  139   1HB   CYS  19          2HB       CYS  19  -0.314   7.419  -0.867
  140   2HB   CYS  19          1HB       CYS  19  -0.573   6.039  -1.915
  141    H    SER  20           H        SER  20  -1.347   4.109   1.866
  142    HA   SER  20           HA       SER  20   1.154   2.860   1.066
  143   1HB   SER  20          2HB       SER  20   0.459   1.578   3.345
  144   2HB   SER  20          1HB       SER  20   1.360   3.092   3.304
  145    HG   SER  20           HG       SER  20  -1.466   3.145   3.295
  146    H    CYS  21           H        CYS  21   1.421   0.631   0.858
  147    HA   CYS  21           HA       CYS  21  -0.781  -0.611  -0.494
  148   1HB   CYS  21          2HB       CYS  21   1.417  -0.893  -1.422
  149   2HB   CYS  21          1HB       CYS  21   2.032  -1.578   0.073
  150    H    SER  22           H        SER  22  -2.301  -0.827   1.174
  151    HA   SER  22           HA       SER  22  -1.677  -2.703   3.313
  152   1HB   SER  22          2HB       SER  22  -4.230  -2.069   3.767
  153   2HB   SER  22          1HB       SER  22  -2.926  -1.001   4.277
  154    HG   SER  22           HG       SER  22  -4.174  -0.770   1.742
  155    H    TYR  23           H        TYR  23  -1.364  -4.390   1.794
  156    HA   TYR  23           HA       TYR  23  -2.803  -5.249  -0.249
  157   1HB   TYR  23          2HB       TYR  23  -1.953  -7.407   0.033
  158   2HB   TYR  23          1HB       TYR  23  -0.796  -6.377   0.860
  159    HD1  TYR  23           1HD      TYR  23  -0.442  -6.572   3.228
  160    HD2  TYR  23           2HD      TYR  23  -3.482  -8.849   1.307
  161    HE1  TYR  23           1HE      TYR  23  -0.647  -7.976   5.235
  162    HE2  TYR  23           2HE      TYR  23  -3.701 -10.256   3.316
  163    HH   TYR  23           HH       TYR  23  -3.162  -9.828   5.931
  164    HA   PRO  24           HA       PRO  24  -3.606  -6.074  -1.389
  165   1HB   PRO  24          2HB       PRO  24  -5.615  -6.844  -2.926
  166   2HB   PRO  24          1HB       PRO  24  -4.863  -7.983  -1.810
  167   1HG   PRO  24          2HG       PRO  24  -7.500  -6.635  -1.634
  168   2HG   PRO  24          1HG       PRO  24  -6.989  -8.195  -0.971
  169   1HD   PRO  24          2HD       PRO  24  -7.096  -5.638   0.361
  170   2HD   PRO  24          1HD       PRO  24  -6.618  -7.211   1.038
  171    H    VAL  25           H        VAL  25  -4.615  -3.514  -0.178
  172    HA   VAL  25           HA       VAL  25  -5.335  -2.210  -2.714
  173    HB   VAL  25           HB       VAL  25  -6.822  -1.460  -0.208
  174   1HG1  VAL  25          1HG1      VAL  25  -7.725  -0.985  -3.016
  175   2HG1  VAL  25          2HG1      VAL  25  -6.535   0.075  -2.258
  176   3HG1  VAL  25          3HG1      VAL  25  -8.137  -0.106  -1.543
  177   1HG2  VAL  25          1HG2      VAL  25  -8.175  -3.211  -0.365
  178   2HG2  VAL  25          2HG2      VAL  25  -7.265  -3.817  -1.750
  179   3HG2  VAL  25          3HG2      VAL  25  -8.614  -2.708  -1.998
  180    H    CYS  26           H        CYS  26  -4.649  -0.100  -2.885
  181    HA   CYS  26           HA       CYS  26  -2.636   0.740  -0.982
  182   1HB   CYS  26          2HB       CYS  26  -3.551   1.719  -3.688
  183   2HB   CYS  26          1HB       CYS  26  -2.317   2.540  -2.764
  184    H    LYS  27           H        LYS  27  -3.281   1.920   0.768
  185    HA   LYS  27           HA       LYS  27  -5.056   4.182   0.375
  186   1HB   LYS  27          2HB       LYS  27  -6.532   2.186   0.815
  187   2HB   LYS  27          1HB       LYS  27  -5.775   2.053   2.396
  188   1HG   LYS  27          2HG       LYS  27  -6.566   4.337   2.919
  189   2HG   LYS  27          1HG       LYS  27  -7.411   4.360   1.370
  190   1HD   LYS  27          2HD       LYS  27  -8.711   2.401   2.062
  191   2HD   LYS  27          1HD       LYS  27  -7.872   2.402   3.615
  192   1HE   LYS  27          2HE       LYS  27  -8.760   4.637   4.085
  193   2HE   LYS  27          1HE       LYS  27  -9.605   4.623   2.538
  194   1HZ   LYS  27          1HZ       LYS  27 -10.094   2.842   4.859
  195   2HZ   LYS  27          2HZ       LYS  27 -10.802   2.619   3.340
  196   3HZ   LYS  27          3HZ       LYS  27 -11.140   4.016   4.232
  Start of MODEL    6
    1   1H    SER   1          1HT       SER   1   0.161   7.716 -11.826
    2   2H    SER   1          2HT       SER   1   1.520   7.484 -10.839
    3   3H    SER   1          3HT       SER   1   1.479   8.775 -11.933
    4    HA   SER   1           HA       SER   1   0.158  10.046 -10.640
    5   1HB   SER   1          2HB       SER   1  -0.902   7.580  -9.252
    6   2HB   SER   1          1HB       SER   1  -1.669   9.162  -9.398
    7    HG   SER   1           HG       SER   1  -2.292   7.250 -10.862
    8    H    ALA   2           H        ALA   2   0.681  11.011  -8.610
    9    HA   ALA   2           HA       ALA   2   3.032  10.009  -7.337
   10   1HB   ALA   2          1HB       ALA   2   1.148  12.252  -6.615
   11   2HB   ALA   2          2HB       ALA   2   2.746  12.375  -7.351
   12   3HB   ALA   2          3HB       ALA   2   2.587  11.853  -5.674
   13    H    ILE   3           H        ILE   3  -0.310  10.441  -6.215
   14    HA   ILE   3           HA       ILE   3   0.171   8.636  -4.006
   15    HB   ILE   3           HB       ILE   3  -2.370  10.134  -4.654
   16   1HG1  ILE   3          2HG1      ILE   3  -0.569  11.748  -4.305
   17   2HG1  ILE   3          1HG1      ILE   3  -1.667  11.764  -2.930
   18   1HG2  ILE   3          1HG2      ILE   3  -1.422   8.816  -2.113
   19   2HG2  ILE   3          2HG2      ILE   3  -2.704   8.240  -3.178
   20   3HG2  ILE   3          3HG2      ILE   3  -2.908   9.749  -2.289
   21   1HD1  ILE   3          1HD1      ILE   3   0.222   9.945  -2.154
   22   2HD1  ILE   3          2HD1      ILE   3   0.172  11.646  -1.690
   23   3HD1  ILE   3          3HD1      ILE   3   1.168  11.133  -3.053
   24    H    SER   4           H        SER   4   0.472   6.833  -5.513
   25    HA   SER   4           HA       SER   4  -1.629   5.926  -7.186
   26   1HB   SER   4          2HB       SER   4   0.892   4.635  -6.149
   27   2HB   SER   4          1HB       SER   4  -0.189   3.863  -7.297
   28    HG   SER   4           HG       SER   4   0.812   4.929  -8.768
   29    H    CYS   5           H        CYS   5  -3.001   6.270  -4.959
   30    HA   CYS   5           HA       CYS   5  -3.105   3.771  -3.473
   31   1HB   CYS   5          2HB       CYS   5  -3.937   6.511  -3.014
   32   2HB   CYS   5          1HB       CYS   5  -5.186   5.348  -2.584
   33    H    GLY   6           H        GLY   6  -4.914   5.536  -5.849
   34   1HA   GLY   6          2HA       GLY   6  -7.303   3.977  -5.688
   35   2HA   GLY   6          1HA       GLY   6  -6.872   5.083  -6.981
   36    H    GLU   7           H        GLU   7  -5.158   2.217  -5.835
   37    HA   GLU   7           HA       GLU   7  -5.969   0.619  -8.065
   38   1HB   GLU   7          2HB       GLU   7  -3.634   0.284  -8.915
   39   2HB   GLU   7          1HB       GLU   7  -4.324   1.862  -9.256
   40   1HG   GLU   7          2HG       GLU   7  -3.053   2.278  -6.878
   41   2HG   GLU   7          1HG       GLU   7  -1.994   1.130  -7.689
   42    H    THR   8           H        THR   8  -5.162  -1.560  -7.916
   43    HA   THR   8           HA       THR   8  -5.112  -2.451  -5.214
   44    HB   THR   8           HB       THR   8  -4.806  -4.736  -6.337
   45    HG1  THR   8           1HG      THR   8  -4.028  -3.484  -8.339
   46   1HG2  THR   8          1HG2      THR   8  -7.123  -2.881  -6.730
   47   2HG2  THR   8          2HG2      THR   8  -6.978  -4.277  -5.663
   48   3HG2  THR   8          3HG2      THR   8  -7.177  -4.512  -7.399
   49    H    CYS   9           H        CYS   9  -3.567  -3.748  -4.183
   50    HA   CYS   9           HA       CYS   9  -0.888  -3.944  -5.275
   51   1HB   CYS   9          2HB       CYS   9  -0.866  -1.727  -4.250
   52   2HB   CYS   9          1HB       CYS   9  -1.509  -2.388  -2.754
   53    H    PHE  10           H        PHE  10  -1.024  -6.132  -5.137
   54    HA   PHE  10           HA       PHE  10  -2.052  -7.528  -2.890
   55   1HB   PHE  10          2HB       PHE  10  -0.516  -8.388  -5.332
   56   2HB   PHE  10          1HB       PHE  10  -0.993  -9.521  -4.079
   57    HD1  PHE  10           1HD      PHE  10  -2.809 -10.781  -4.623
   58    HD2  PHE  10           2HD      PHE  10  -2.659  -6.738  -5.944
   59    HE1  PHE  10           1HE      PHE  10  -5.008 -11.052  -5.691
   60    HE2  PHE  10           2HE      PHE  10  -4.859  -7.002  -7.014
   61    HZ   PHE  10           HZ       PHE  10  -6.036  -9.161  -6.888
   62    H    LYS  11           H        LYS  11   1.127  -6.413  -3.763
   63    HA   LYS  11           HA       LYS  11   2.286  -7.979  -1.571
   64   1HB   LYS  11          2HB       LYS  11   3.601  -6.541  -3.878
   65   2HB   LYS  11          1HB       LYS  11   4.486  -7.319  -2.571
   66   1HG   LYS  11          2HG       LYS  11   2.606  -8.695  -4.483
   67   2HG   LYS  11          1HG       LYS  11   4.369  -8.734  -4.557
   68   1HD   LYS  11          2HD       LYS  11   4.425  -9.808  -2.346
   69   2HD   LYS  11          1HD       LYS  11   2.661  -9.788  -2.300
   70   1HE   LYS  11          2HE       LYS  11   3.453 -11.979  -2.967
   71   2HE   LYS  11          1HE       LYS  11   2.610 -11.206  -4.309
   72   1HZ   LYS  11          1HZ       LYS  11   4.688 -12.311  -4.977
   73   2HZ   LYS  11          2HZ       LYS  11   5.562 -11.259  -3.981
   74   3HZ   LYS  11          3HZ       LYS  11   4.707 -10.652  -5.308
   75    H    PHE  12           H        PHE  12   4.176  -5.317  -2.421
   76    HA   PHE  12           HA       PHE  12   2.993  -3.483  -0.536
   77   1HB   PHE  12          2HB       PHE  12   4.372  -4.994   0.892
   78   2HB   PHE  12          1HB       PHE  12   5.789  -4.543  -0.052
   79    HD1  PHE  12           1HD      PHE  12   2.985  -2.482   1.260
   80    HD2  PHE  12           2HD      PHE  12   7.160  -3.306   1.351
   81    HE1  PHE  12           1HE      PHE  12   3.331  -0.541   2.728
   82    HE2  PHE  12           2HE      PHE  12   7.513  -1.365   2.823
   83    HZ   PHE  12           HZ       PHE  12   5.595   0.020   3.514
   84    H    LYS  13           H        LYS  13   2.838  -2.036  -2.209
   85    HA   LYS  13           HA       LYS  13   5.409  -1.005  -3.152
   86   1HB   LYS  13          2HB       LYS  13   4.322  -2.319  -4.937
   87   2HB   LYS  13          1HB       LYS  13   2.933  -1.247  -4.858
   88   1HG   LYS  13          2HG       LYS  13   4.578  -0.827  -6.726
   89   2HG   LYS  13          1HG       LYS  13   4.147   0.567  -5.738
   90   1HD   LYS  13          2HD       LYS  13   6.559   0.478  -6.209
   91   2HD   LYS  13          1HD       LYS  13   6.216   0.355  -4.484
   92   1HE   LYS  13          2HE       LYS  13   6.376  -2.164  -4.791
   93   2HE   LYS  13          1HE       LYS  13   7.060  -1.821  -6.379
   94   1HZ   LYS  13          1HZ       LYS  13   8.450  -1.983  -4.051
   95   2HZ   LYS  13          2HZ       LYS  13   8.302  -0.309  -4.279
   96   3HZ   LYS  13          3HZ       LYS  13   9.007  -1.272  -5.482
   97    H    CYS  14           H        CYS  14   2.174  -0.283  -2.102
   98    HA   CYS  14           HA       CYS  14   2.574   2.543  -2.597
   99   1HB   CYS  14          2HB       CYS  14   0.286   1.053  -1.306
  100   2HB   CYS  14          1HB       CYS  14   0.332   2.800  -1.518
  101    H    TYR  15           H        TYR  15   3.839   3.587  -1.344
  102    HA   TYR  15           HA       TYR  15   3.478   3.533   1.528
  103   1HB   TYR  15          2HB       TYR  15   6.115   3.500   1.670
  104   2HB   TYR  15          1HB       TYR  15   5.203   1.998   1.628
  105    HD1  TYR  15           1HD      TYR  15   6.569   4.392  -0.928
  106    HD2  TYR  15           2HD      TYR  15   6.173   0.354   0.363
  107    HE1  TYR  15           1HE      TYR  15   7.879   3.646  -2.872
  108    HE2  TYR  15           2HE      TYR  15   7.483  -0.400  -1.577
  109    HH   TYR  15           HH       TYR  15   9.155   1.832  -3.643
  110    H    THR  16           H        THR  16   2.948   5.234  -0.711
  111    HA   THR  16           HA       THR  16   4.757   7.472  -0.619
  112    HB   THR  16           HB       THR  16   2.239   8.131  -1.809
  113    HG1  THR  16           1HG      THR  16   2.574   6.253  -3.442
  114   1HG2  THR  16          1HG2      THR  16   4.790   7.310  -3.193
  115   2HG2  THR  16          2HG2      THR  16   4.547   8.893  -2.454
  116   3HG2  THR  16          3HG2      THR  16   3.533   8.384  -3.804
  117    HA   PRO  17           HA       PRO  17   2.977   9.856   2.644
  118   1HB   PRO  17          2HB       PRO  17   2.319  11.997   0.672
  119   2HB   PRO  17          1HB       PRO  17   3.208  12.107   2.194
  120   1HG   PRO  17          2HG       PRO  17   4.507  12.165  -0.124
  121   2HG   PRO  17          1HG       PRO  17   5.169  11.276   1.261
  122   1HD   PRO  17          2HD       PRO  17   3.790  10.237  -1.177
  123   2HD   PRO  17          1HD       PRO  17   5.155   9.549  -0.272
  124    H    ARG  18           H        ARG  18   1.129   9.219   3.453
  125    HA   ARG  18           HA       ARG  18  -1.047   8.906   3.876
  126   1HB   ARG  18          2HB       ARG  18  -1.289  11.300   3.386
  127   2HB   ARG  18          1HB       ARG  18  -1.494  10.939   1.682
  128   1HG   ARG  18          2HG       ARG  18  -3.597  11.460   2.971
  129   2HG   ARG  18          1HG       ARG  18  -3.621   9.959   2.046
  130   1HD   ARG  18          2HD       ARG  18  -2.738   8.976   4.352
  131   2HD   ARG  18          1HD       ARG  18  -3.569  10.392   4.987
  132    HE   ARG  18           HE       ARG  18  -4.757   8.029   3.821
  133   1HH1  ARG  18          1HH1      ARG  18  -5.265  11.373   4.742
  134   2HH1  ARG  18          2HH1      ARG  18  -6.991  11.243   4.752
  135   1HH2  ARG  18          1HH2      ARG  18  -7.027   7.849   3.841
  136   2HH2  ARG  18          2HH2      ARG  18  -7.999   9.229   4.239
  137    H    CYS  19           H        CYS  19   0.285   7.099   2.246
  138    HA   CYS  19           HA       CYS  19  -1.991   5.849   0.976
  139   1HB   CYS  19          2HB       CYS  19  -0.847   7.245  -0.817
  140   2HB   CYS  19          1HB       CYS  19   0.537   6.168  -0.647
  141    H    SER  20           H        SER  20  -2.010   3.814   1.676
  142    HA   SER  20           HA       SER  20   0.585   2.509   2.165
  143   1HB   SER  20          2HB       SER  20  -1.337   1.417   3.935
  144   2HB   SER  20          1HB       SER  20   0.107   2.347   4.330
  145    HG   SER  20           HG       SER  20  -2.366   3.544   3.583
  146    H    CYS  21           H        CYS  21   0.853   0.545   1.430
  147    HA   CYS  21           HA       CYS  21  -1.215  -0.588  -0.225
  148   1HB   CYS  21          2HB       CYS  21   0.976  -0.713  -1.144
  149   2HB   CYS  21          1HB       CYS  21   1.652  -1.393   0.330
  150    H    SER  22           H        SER  22  -2.821  -1.218   1.143
  151    HA   SER  22           HA       SER  22  -2.178  -3.193   3.210
  152   1HB   SER  22          2HB       SER  22  -3.668  -1.244   3.794
  153   2HB   SER  22          1HB       SER  22  -4.836  -1.846   2.617
  154    HG   SER  22           HG       SER  22  -5.069  -3.706   3.851
  155    H    TYR  23           H        TYR  23  -1.658  -4.805   1.741
  156    HA   TYR  23           HA       TYR  23  -2.753  -5.646  -0.508
  157   1HB   TYR  23          2HB       TYR  23  -1.884  -7.786  -0.148
  158   2HB   TYR  23          1HB       TYR  23  -0.893  -6.739   0.858
  159    HD1  TYR  23           1HD      TYR  23  -0.979  -6.899   3.275
  160    HD2  TYR  23           2HD      TYR  23  -3.447  -9.363   0.832
  161    HE1  TYR  23           1HE      TYR  23  -1.446  -8.338   5.214
  162    HE2  TYR  23           2HE      TYR  23  -3.924 -10.809   2.770
  163    HH   TYR  23           HH       TYR  23  -3.868 -10.288   5.513
  164    HA   PRO  24           HA       PRO  24  -3.344  -6.415  -1.763
  165   1HB   PRO  24          2HB       PRO  24  -5.065  -7.248  -3.611
  166   2HB   PRO  24          1HB       PRO  24  -4.365  -8.379  -2.455
  167   1HG   PRO  24          2HG       PRO  24  -7.121  -7.337  -2.619
  168   2HG   PRO  24          1HG       PRO  24  -6.522  -8.813  -1.845
  169   1HD   PRO  24          2HD       PRO  24  -7.067  -6.217  -0.642
  170   2HD   PRO  24          1HD       PRO  24  -6.653  -7.749   0.158
  171    H    VAL  25           H        VAL  25  -4.696  -3.981  -0.641
  172    HA   VAL  25           HA       VAL  25  -5.033  -2.572  -3.188
  173    HB   VAL  25           HB       VAL  25  -7.096  -2.079  -1.058
  174   1HG1  VAL  25          1HG1      VAL  25  -6.998  -0.286  -2.531
  175   2HG1  VAL  25          2HG1      VAL  25  -8.346  -1.252  -3.135
  176   3HG1  VAL  25          3HG1      VAL  25  -6.777  -1.329  -3.936
  177   1HG2  VAL  25          1HG2      VAL  25  -8.276  -3.447  -3.270
  178   2HG2  VAL  25          2HG2      VAL  25  -8.301  -3.876  -1.560
  179   3HG2  VAL  25          3HG2      VAL  25  -6.989  -4.445  -2.592
  180    H    CYS  26           H        CYS  26  -4.515  -0.389  -3.071
  181    HA   CYS  26           HA       CYS  26  -3.049   0.421  -0.724
  182   1HB   CYS  26          2HB       CYS  26  -3.557   1.808  -3.361
  183   2HB   CYS  26          1HB       CYS  26  -2.422   2.326  -2.130
  184    H    LYS  27           H        LYS  27  -3.702   1.934   0.759
  185    HA   LYS  27           HA       LYS  27  -5.987   3.628   0.191
  186   1HB   LYS  27          2HB       LYS  27  -6.875   1.414   1.050
  187   2HB   LYS  27          1HB       LYS  27  -6.074   1.776   2.574
  188   1HG   LYS  27          2HG       LYS  27  -7.418   3.791   2.815
  189   2HG   LYS  27          1HG       LYS  27  -8.210   3.450   1.275
  190   1HD   LYS  27          2HD       LYS  27  -8.979   1.279   2.245
  191   2HD   LYS  27          1HD       LYS  27  -8.340   1.816   3.801
  192   1HE   LYS  27          2HE       LYS  27 -10.741   2.248   3.621
  193   2HE   LYS  27          1HE       LYS  27  -9.820   3.746   3.760
  194   1HZ   LYS  27          1HZ       LYS  27 -10.154   4.249   1.531
  195   2HZ   LYS  27          2HZ       LYS  27 -11.654   3.631   2.011
  196   3HZ   LYS  27          3HZ       LYS  27 -10.587   2.666   1.122
  Start of MODEL    7
    1   1H    SER   1          1HT       SER   1   3.378  15.991  -6.013
    2   2H    SER   1          2HT       SER   1   3.232  16.018  -4.326
    3   3H    SER   1          3HT       SER   1   1.898  16.394  -5.297
    4    HA   SER   1           HA       SER   1   1.378  14.271  -5.673
    5   1HB   SER   1          2HB       SER   1   4.302  13.517  -5.516
    6   2HB   SER   1          1HB       SER   1   3.000  12.647  -6.330
    7    HG   SER   1           HG       SER   1   4.003  13.742  -7.932
    8    H    ALA   2           H        ALA   2   0.851  12.550  -4.281
    9    HA   ALA   2           HA       ALA   2   2.289  12.045  -1.860
   10   1HB   ALA   2          1HB       ALA   2  -0.388  12.865  -1.064
   11   2HB   ALA   2          2HB       ALA   2   0.563  14.200  -1.715
   12   3HB   ALA   2          3HB       ALA   2   1.175  13.264  -0.350
   13    H    ILE   3           H        ILE   3  -0.966  11.891  -3.288
   14    HA   ILE   3           HA       ILE   3  -1.493   9.306  -2.201
   15    HB   ILE   3           HB       ILE   3  -3.051  10.638  -4.415
   16   1HG1  ILE   3          2HG1      ILE   3  -2.764  12.251  -2.574
   17   2HG1  ILE   3          1HG1      ILE   3  -4.432  11.702  -2.691
   18   1HG2  ILE   3          1HG2      ILE   3  -3.541   8.420  -2.494
   19   2HG2  ILE   3          2HG2      ILE   3  -3.982   8.561  -4.196
   20   3HG2  ILE   3          3HG2      ILE   3  -4.907   9.430  -2.970
   21   1HD1  ILE   3          1HD1      ILE   3  -3.929  10.087  -0.846
   22   2HD1  ILE   3          2HD1      ILE   3  -3.863  11.791  -0.393
   23   3HD1  ILE   3          3HD1      ILE   3  -2.370  10.890  -0.662
   24    H    SER   4           H        SER   4   0.777   8.844  -3.364
   25    HA   SER   4           HA       SER   4   0.621   8.114  -6.122
   26   1HB   SER   4          2HB       SER   4   2.713   7.351  -4.081
   27   2HB   SER   4          1HB       SER   4   2.888   7.415  -5.828
   28    HG   SER   4           HG       SER   4   3.613   9.280  -4.369
   29    H    CYS   5           H        CYS   5  -1.442   6.855  -5.166
   30    HA   CYS   5           HA       CYS   5  -0.794   4.176  -4.284
   31   1HB   CYS   5          2HB       CYS   5  -3.449   5.458  -4.963
   32   2HB   CYS   5          1HB       CYS   5  -3.233   3.899  -4.190
   33    H    GLY   6           H        GLY   6  -2.795   5.475  -6.897
   34   1HA   GLY   6          2HA       GLY   6  -2.675   4.980  -9.176
   35   2HA   GLY   6          1HA       GLY   6  -1.571   3.666  -8.808
   36    H    GLU   7           H        GLU   7  -2.791   2.027  -7.204
   37    HA   GLU   7           HA       GLU   7  -5.527   1.530  -7.544
   38   1HB   GLU   7          2HB       GLU   7  -5.581  -0.246  -9.171
   39   2HB   GLU   7          1HB       GLU   7  -4.919   1.198  -9.919
   40   1HG   GLU   7          2HG       GLU   7  -2.941   0.241 -10.310
   41   2HG   GLU   7          1HG       GLU   7  -2.918  -0.600  -8.762
   42    H    THR   8           H        THR   8  -5.533  -1.214  -7.680
   43    HA   THR   8           HA       THR   8  -4.987  -1.967  -5.043
   44    HB   THR   8           HB       THR   8  -5.061  -4.327  -6.535
   45    HG1  THR   8           1HG      THR   8  -5.529  -3.035  -8.416
   46   1HG2  THR   8          1HG2      THR   8  -7.582  -2.984  -5.663
   47   2HG2  THR   8          2HG2      THR   8  -6.371  -3.403  -4.451
   48   3HG2  THR   8          3HG2      THR   8  -7.076  -4.662  -5.464
   49    H    CYS   9           H        CYS   9  -3.467  -3.524  -4.228
   50    HA   CYS   9           HA       CYS   9  -1.184  -4.187  -5.850
   51   1HB   CYS   9          2HB       CYS   9   0.427  -3.186  -4.239
   52   2HB   CYS   9          1HB       CYS   9  -0.536  -1.982  -5.088
   53    H    PHE  10           H        PHE  10  -1.293  -6.280  -5.518
   54    HA   PHE  10           HA       PHE  10  -2.031  -7.457  -3.017
   55   1HB   PHE  10          2HB       PHE  10  -1.113  -8.586  -5.656
   56   2HB   PHE  10          1HB       PHE  10  -1.428  -9.602  -4.262
   57    HD1  PHE  10           1HD      PHE  10  -3.394 -10.743  -4.478
   58    HD2  PHE  10           2HD      PHE  10  -3.214  -6.711  -5.831
   59    HE1  PHE  10           1HE      PHE  10  -5.776 -10.842  -5.085
   60    HE2  PHE  10           2HE      PHE  10  -5.596  -6.804  -6.437
   61    HZ   PHE  10           HZ       PHE  10  -6.880  -8.872  -6.064
   62    H    LYS  11           H        LYS  11   0.078  -5.942  -2.373
   63    HA   LYS  11           HA       LYS  11   1.850  -7.699  -1.122
   64   1HB   LYS  11          2HB       LYS  11   2.671  -7.891  -3.543
   65   2HB   LYS  11          1HB       LYS  11   3.226  -6.231  -3.377
   66   1HG   LYS  11          2HG       LYS  11   4.758  -6.835  -1.652
   67   2HG   LYS  11          1HG       LYS  11   4.087  -8.463  -1.551
   68   1HD   LYS  11          2HD       LYS  11   6.173  -8.524  -2.768
   69   2HD   LYS  11          1HD       LYS  11   4.842  -8.882  -3.867
   70   1HE   LYS  11          2HE       LYS  11   4.893  -6.576  -4.679
   71   2HE   LYS  11          1HE       LYS  11   6.216  -6.213  -3.573
   72   1HZ   LYS  11          1HZ       LYS  11   6.318  -7.393  -6.148
   73   2HZ   LYS  11          2HZ       LYS  11   7.012  -8.432  -5.008
   74   3HZ   LYS  11          3HZ       LYS  11   7.591  -6.850  -5.173
   75    H    PHE  12           H        PHE  12   3.657  -5.093  -2.276
   76    HA   PHE  12           HA       PHE  12   2.624  -3.141  -0.406
   77   1HB   PHE  12          2HB       PHE  12   4.184  -4.620   0.920
   78   2HB   PHE  12          1HB       PHE  12   5.485  -4.093  -0.140
   79    HD1  PHE  12           1HD      PHE  12   2.688  -2.232   1.477
   80    HD2  PHE  12           2HD      PHE  12   6.894  -2.732   1.068
   81    HE1  PHE  12           1HE      PHE  12   3.056  -0.266   2.910
   82    HE2  PHE  12           2HE      PHE  12   7.271  -0.768   2.501
   83    HZ   PHE  12           HZ       PHE  12   5.350   0.468   3.423
   84    H    LYS  13           H        LYS  13   2.317  -2.499  -2.775
   85    HA   LYS  13           HA       LYS  13   4.724  -1.441  -3.996
   86   1HB   LYS  13          2HB       LYS  13   3.103  -2.572  -5.439
   87   2HB   LYS  13          1HB       LYS  13   1.871  -1.400  -4.987
   88   1HG   LYS  13          2HG       LYS  13   2.773  -0.864  -7.164
   89   2HG   LYS  13          1HG       LYS  13   3.219   0.387  -6.001
   90   1HD   LYS  13          2HD       LYS  13   5.373  -1.105  -5.728
   91   2HD   LYS  13          1HD       LYS  13   4.920  -1.662  -7.340
   92   1HE   LYS  13          2HE       LYS  13   6.434   0.153  -7.619
   93   2HE   LYS  13          1HE       LYS  13   4.828   0.743  -8.043
   94   1HZ   LYS  13          1HZ       LYS  13   4.893   1.366  -5.464
   95   2HZ   LYS  13          2HZ       LYS  13   5.437   2.415  -6.676
   96   3HZ   LYS  13          3HZ       LYS  13   6.550   1.475  -5.809
   97    H    CYS  14           H        CYS  14   1.872  -0.272  -2.364
   98    HA   CYS  14           HA       CYS  14   2.521   2.490  -2.966
   99   1HB   CYS  14          2HB       CYS  14   0.356   1.426  -1.145
  100   2HB   CYS  14          1HB       CYS  14   0.457   3.035  -1.858
  101    H    TYR  15           H        TYR  15   3.766   3.701  -1.754
  102    HA   TYR  15           HA       TYR  15   3.918   3.424   1.106
  103   1HB   TYR  15          2HB       TYR  15   6.548   3.306   0.840
  104   2HB   TYR  15          1HB       TYR  15   5.580   1.838   0.865
  105    HD1  TYR  15           1HD      TYR  15   6.368   0.246  -0.589
  106    HD2  TYR  15           2HD      TYR  15   6.526   4.328  -1.784
  107    HE1  TYR  15           1HE      TYR  15   7.300  -0.430  -2.763
  108    HE2  TYR  15           2HE      TYR  15   7.455   3.662  -3.959
  109    HH   TYR  15           HH       TYR  15   8.854   0.903  -4.605
  110    H    THR  16           H        THR  16   2.893   5.495   0.120
  111    HA   THR  16           HA       THR  16   4.944   7.593   0.239
  112    HB   THR  16           HB       THR  16   2.598   7.693  -1.676
  113    HG1  THR  16           1HG      THR  16   5.101   6.501  -1.921
  114   1HG2  THR  16          1HG2      THR  16   3.578   9.863  -1.029
  115   2HG2  THR  16          2HG2      THR  16   3.853   9.498  -2.732
  116   3HG2  THR  16          3HG2      THR  16   5.160   9.295  -1.566
  117    HA   PRO  17           HA       PRO  17   2.596   9.371   3.543
  118   1HB   PRO  17          2HB       PRO  17   2.651  11.790   1.770
  119   2HB   PRO  17          1HB       PRO  17   2.924  11.673   3.513
  120   1HG   PRO  17          2HG       PRO  17   4.974  11.833   1.805
  121   2HG   PRO  17          1HG       PRO  17   5.059  10.825   3.261
  122   1HD   PRO  17          2HD       PRO  17   4.862  10.018   0.433
  123   2HD   PRO  17          1HD       PRO  17   5.446   9.097   1.831
  124    H    ARG  18           H        ARG  18   0.564   9.022   3.924
  125    HA   ARG  18           HA       ARG  18  -1.683   9.062   3.917
  126   1HB   ARG  18          2HB       ARG  18  -1.302  11.451   3.168
  127   2HB   ARG  18          1HB       ARG  18  -1.560  10.882   1.531
  128   1HG   ARG  18          2HG       ARG  18  -3.595  11.845   2.358
  129   2HG   ARG  18          1HG       ARG  18  -3.815  10.100   2.206
  130   1HD   ARG  18          2HD       ARG  18  -4.771  10.860   4.292
  131   2HD   ARG  18          1HD       ARG  18  -3.355   9.862   4.618
  132    HE   ARG  18           HE       ARG  18  -2.564  12.554   4.512
  133   1HH1  ARG  18          1HH1      ARG  18  -4.416  10.386   6.538
  134   2HH1  ARG  18          2HH1      ARG  18  -4.122  11.278   7.993
  135   1HH2  ARG  18          1HH2      ARG  18  -2.167  13.743   6.432
  136   2HH2  ARG  18          2HH2      ARG  18  -2.837  13.194   7.932
  137    H    CYS  19           H        CYS  19  -0.008   7.250   2.234
  138    HA   CYS  19           HA       CYS  19  -2.204   5.941   0.888
  139   1HB   CYS  19          2HB       CYS  19  -1.312   7.363  -0.911
  140   2HB   CYS  19          1HB       CYS  19   0.301   6.714  -0.636
  141    H    SER  20           H        SER  20  -2.097   3.880   1.553
  142    HA   SER  20           HA       SER  20   0.567   2.696   1.949
  143   1HB   SER  20          2HB       SER  20  -0.961   1.418   3.823
  144   2HB   SER  20          1HB       SER  20   0.137   2.757   4.143
  145    HG   SER  20           HG       SER  20  -2.493   3.318   3.305
  146    H    CYS  21           H        CYS  21   0.869   0.642   1.396
  147    HA   CYS  21           HA       CYS  21  -1.257  -0.586  -0.172
  148   1HB   CYS  21          2HB       CYS  21   0.985  -0.396  -1.187
  149   2HB   CYS  21          1HB       CYS  21   1.648  -1.413   0.087
  150    H    SER  22           H        SER  22  -2.593  -1.279   1.475
  151    HA   SER  22           HA       SER  22  -1.587  -3.226   3.379
  152   1HB   SER  22          2HB       SER  22  -4.333  -1.984   3.034
  153   2HB   SER  22          1HB       SER  22  -3.811  -2.990   4.372
  154    HG   SER  22           HG       SER  22  -3.249  -0.333   3.827
  155    H    TYR  23           H        TYR  23  -1.101  -4.654   1.580
  156    HA   TYR  23           HA       TYR  23  -2.625  -5.548  -0.412
  157   1HB   TYR  23          2HB       TYR  23  -1.354  -7.508  -0.503
  158   2HB   TYR  23          1HB       TYR  23  -0.306  -6.347   0.295
  159    HD1  TYR  23           1HD      TYR  23  -2.360  -9.360   0.748
  160    HD2  TYR  23           2HD      TYR  23   0.386  -6.672   2.579
  161    HE1  TYR  23           1HE      TYR  23  -2.033 -10.957   2.593
  162    HE2  TYR  23           2HE      TYR  23   0.718  -8.260   4.428
  163    HH   TYR  23           HH       TYR  23  -1.253 -10.632   5.190
  164    HA   PRO  24           HA       PRO  24  -3.377  -6.497  -1.560
  165   1HB   PRO  24          2HB       PRO  24  -5.430  -7.470  -2.931
  166   2HB   PRO  24          1HB       PRO  24  -4.324  -8.550  -2.083
  167   1HG   PRO  24          2HG       PRO  24  -7.104  -7.784  -1.397
  168   2HG   PRO  24          1HG       PRO  24  -6.220  -9.269  -1.015
  169   1HD   PRO  24          2HD       PRO  24  -6.611  -6.953   0.651
  170   2HD   PRO  24          1HD       PRO  24  -5.732  -8.447   1.040
  171    H    VAL  25           H        VAL  25  -4.402  -4.267  -0.042
  172    HA   VAL  25           HA       VAL  25  -6.007  -2.965  -2.149
  173    HB   VAL  25           HB       VAL  25  -6.478  -2.415   0.777
  174   1HG1  VAL  25          1HG1      VAL  25  -8.276  -1.120   0.125
  175   2HG1  VAL  25          2HG1      VAL  25  -8.414  -1.917  -1.441
  176   3HG1  VAL  25          3HG1      VAL  25  -7.091  -0.791  -1.139
  177   1HG2  VAL  25          1HG2      VAL  25  -7.553  -4.602  -0.876
  178   2HG2  VAL  25          2HG2      VAL  25  -8.744  -3.688   0.049
  179   3HG2  VAL  25          3HG2      VAL  25  -7.398  -4.473   0.876
  180    H    CYS  26           H        CYS  26  -5.588  -0.741  -2.390
  181    HA   CYS  26           HA       CYS  26  -3.274   0.241  -0.862
  182   1HB   CYS  26          2HB       CYS  26  -2.540  -0.265  -3.115
  183   2HB   CYS  26          1HB       CYS  26  -3.892   0.632  -3.793
  184    H    LYS  27           H        LYS  27  -3.891   1.839   0.413
  185    HA   LYS  27           HA       LYS  27  -5.319   4.079  -0.698
  186   1HB   LYS  27          2HB       LYS  27  -7.174   2.625   0.073
  187   2HB   LYS  27          1HB       LYS  27  -6.480   2.624   1.690
  188   1HG   LYS  27          2HG       LYS  27  -8.313   4.211   1.531
  189   2HG   LYS  27          1HG       LYS  27  -6.784   5.044   1.830
  190   1HD   LYS  27          2HD       LYS  27  -6.826   5.057  -0.871
  191   2HD   LYS  27          1HD       LYS  27  -8.555   5.114  -0.529
  192   1HE   LYS  27          2HE       LYS  27  -7.782   7.362  -0.700
  193   2HE   LYS  27          1HE       LYS  27  -8.104   7.040   1.002
  194   1HZ   LYS  27          1HZ       LYS  27  -6.060   7.857   1.314
  195   2HZ   LYS  27          2HZ       LYS  27  -5.616   7.677  -0.304
  196   3HZ   LYS  27          3HZ       LYS  27  -5.491   6.363   0.756
  Start of MODEL    8
    1   1H    SER   1          1HT       SER   1   4.917  10.981  -4.483
    2   2H    SER   1          2HT       SER   1   6.444  11.613  -4.127
    3   3H    SER   1          3HT       SER   1   6.163  10.876  -5.625
    4    HA   SER   1           HA       SER   1   6.053  13.524  -5.147
    5   1HB   SER   1          2HB       SER   1   4.478  12.119  -7.303
    6   2HB   SER   1          1HB       SER   1   5.413  13.613  -7.423
    7    HG   SER   1           HG       SER   1   6.789  12.177  -8.249
    8    H    ALA   2           H        ALA   2   3.224  11.365  -5.427
    9    HA   ALA   2           HA       ALA   2   1.666  13.124  -3.750
   10   1HB   ALA   2          1HB       ALA   2   1.505  13.434  -6.546
   11   2HB   ALA   2          2HB       ALA   2   0.446  14.133  -5.320
   12   3HB   ALA   2          3HB       ALA   2   0.041  12.580  -6.054
   13    H    ILE   3           H        ILE   3  -0.697  12.104  -3.708
   14    HA   ILE   3           HA       ILE   3  -0.353   9.395  -2.886
   15    HB   ILE   3           HB       ILE   3  -3.002  10.808  -3.127
   16   1HG1  ILE   3          2HG1      ILE   3  -1.072  10.982  -0.799
   17   2HG1  ILE   3          1HG1      ILE   3  -1.335  12.272  -1.969
   18   1HG2  ILE   3          1HG2      ILE   3  -3.648   8.813  -2.327
   19   2HG2  ILE   3          2HG2      ILE   3  -2.971   9.364  -0.795
   20   3HG2  ILE   3          3HG2      ILE   3  -2.005   8.361  -1.875
   21   1HD1  ILE   3          1HD1      ILE   3  -2.836  11.595   0.384
   22   2HD1  ILE   3          2HD1      ILE   3  -3.874  11.602  -1.042
   23   3HD1  ILE   3          3HD1      ILE   3  -2.925  13.032  -0.634
   24    H    SER   4           H        SER   4   0.338   9.218  -5.388
   25    HA   SER   4           HA       SER   4  -1.822   8.696  -7.197
   26   1HB   SER   4          2HB       SER   4   1.122   8.057  -7.457
   27   2HB   SER   4          1HB       SER   4  -0.056   8.180  -8.753
   28    HG   SER   4           HG       SER   4  -0.179  10.356  -8.460
   29    H    CYS   5           H        CYS   5  -2.460   7.139  -5.181
   30    HA   CYS   5           HA       CYS   5  -1.440   4.469  -5.779
   31   1HB   CYS   5          2HB       CYS   5  -2.915   5.441  -3.330
   32   2HB   CYS   5          1HB       CYS   5  -2.113   3.894  -3.538
   33    H    GLY   6           H        GLY   6  -4.150   4.280  -3.925
   34   1HA   GLY   6          2HA       GLY   6  -6.384   3.827  -4.297
   35   2HA   GLY   6          1HA       GLY   6  -6.204   4.509  -5.905
   36    H    GLU   7           H        GLU   7  -4.147   2.768  -6.787
   37    HA   GLU   7           HA       GLU   7  -5.571   0.707  -7.971
   38   1HB   GLU   7          2HB       GLU   7  -3.358  -0.156  -8.646
   39   2HB   GLU   7          1HB       GLU   7  -3.498   1.584  -8.879
   40   1HG   GLU   7          2HG       GLU   7  -2.260   1.978  -6.830
   41   2HG   GLU   7          1HG       GLU   7  -2.155   0.247  -6.538
   42    H    THR   8           H        THR   8  -4.731  -1.616  -7.936
   43    HA   THR   8           HA       THR   8  -5.229  -2.730  -5.316
   44    HB   THR   8           HB       THR   8  -4.886  -4.928  -6.631
   45    HG1  THR   8           1HG      THR   8  -3.851  -3.656  -8.419
   46   1HG2  THR   8          1HG2      THR   8  -7.122  -3.072  -7.462
   47   2HG2  THR   8          2HG2      THR   8  -7.088  -4.025  -5.979
   48   3HG2  THR   8          3HG2      THR   8  -7.141  -4.834  -7.545
   49    H    CYS   9           H        CYS   9  -3.726  -4.025  -4.148
   50    HA   CYS   9           HA       CYS   9  -1.038  -4.258  -5.196
   51   1HB   CYS   9          2HB       CYS   9  -1.063  -2.012  -4.238
   52   2HB   CYS   9          1HB       CYS   9  -1.644  -2.658  -2.708
   53    H    PHE  10           H        PHE  10  -1.052  -6.423  -4.971
   54    HA   PHE  10           HA       PHE  10  -1.903  -7.678  -2.509
   55   1HB   PHE  10          2HB       PHE  10  -0.805  -8.787  -5.097
   56   2HB   PHE  10          1HB       PHE  10  -1.275  -9.778  -3.732
   57    HD1  PHE  10           1HD      PHE  10  -2.799  -6.958  -5.666
   58    HD2  PHE  10           2HD      PHE  10  -3.274 -10.843  -3.993
   59    HE1  PHE  10           1HE      PHE  10  -5.101  -7.041  -6.525
   60    HE2  PHE  10           2HE      PHE  10  -5.578 -10.932  -4.850
   61    HZ   PHE  10           HZ       PHE  10  -6.495  -9.030  -6.118
   62    H    LYS  11           H        LYS  11   0.639  -5.945  -2.795
   63    HA   LYS  11           HA       LYS  11   2.359  -7.757  -1.286
   64   1HB   LYS  11          2HB       LYS  11   3.291  -6.249  -3.740
   65   2HB   LYS  11          1HB       LYS  11   4.376  -6.985  -2.572
   66   1HG   LYS  11          2HG       LYS  11   2.374  -8.438  -4.292
   67   2HG   LYS  11          1HG       LYS  11   4.119  -8.376  -4.547
   68   1HD   LYS  11          2HD       LYS  11   2.729  -9.567  -2.146
   69   2HD   LYS  11          1HD       LYS  11   3.421 -10.477  -3.488
   70   1HE   LYS  11          2HE       LYS  11   5.636  -9.641  -2.937
   71   2HE   LYS  11          1HE       LYS  11   4.960  -8.659  -1.636
   72   1HZ   LYS  11          1HZ       LYS  11   4.062 -10.960  -0.840
   73   2HZ   LYS  11          2HZ       LYS  11   5.650 -10.496  -0.490
   74   3HZ   LYS  11          3HZ       LYS  11   5.344 -11.566  -1.764
   75    H    PHE  12           H        PHE  12   3.963  -5.035  -2.463
   76    HA   PHE  12           HA       PHE  12   3.071  -3.187  -0.426
   77   1HB   PHE  12          2HB       PHE  12   4.773  -4.656   0.715
   78   2HB   PHE  12          1HB       PHE  12   5.962  -4.095  -0.455
   79    HD1  PHE  12           1HD      PHE  12   7.474  -2.810   0.728
   80    HD2  PHE  12           2HD      PHE  12   3.308  -2.225   1.371
   81    HE1  PHE  12           1HE      PHE  12   7.971  -0.873   2.161
   82    HE2  PHE  12           2HE      PHE  12   3.798  -0.285   2.804
   83    HZ   PHE  12           HZ       PHE  12   6.132   0.392   3.200
   84    H    LYS  13           H        LYS  13   2.524  -2.480  -2.690
   85    HA   LYS  13           HA       LYS  13   4.707  -1.387  -4.225
   86   1HB   LYS  13          2HB       LYS  13   3.147  -2.301  -5.648
   87   2HB   LYS  13          1HB       LYS  13   1.795  -1.823  -4.639
   88   1HG   LYS  13          2HG       LYS  13   1.568  -0.532  -6.555
   89   2HG   LYS  13          1HG       LYS  13   2.309   0.564  -5.389
   90   1HD   LYS  13          2HD       LYS  13   4.492   0.182  -6.397
   91   2HD   LYS  13          1HD       LYS  13   3.780  -0.964  -7.536
   92   1HE   LYS  13          2HE       LYS  13   3.131   1.975  -7.321
   93   2HE   LYS  13          1HE       LYS  13   4.103   1.218  -8.580
   94   1HZ   LYS  13          1HZ       LYS  13   1.689  -0.148  -8.514
   95   2HZ   LYS  13          2HZ       LYS  13   2.227   0.917  -9.706
   96   3HZ   LYS  13          3HZ       LYS  13   1.282   1.492  -8.424
   97    H    CYS  14           H        CYS  14   1.826  -0.086  -2.627
   98    HA   CYS  14           HA       CYS  14   2.781   2.608  -3.081
   99   1HB   CYS  14          2HB       CYS  14   0.309   1.695  -1.615
  100   2HB   CYS  14          1HB       CYS  14   0.644   3.316  -2.224
  101    H    TYR  15           H        TYR  15   3.829   3.818  -1.691
  102    HA   TYR  15           HA       TYR  15   3.587   3.442   1.158
  103   1HB   TYR  15          2HB       TYR  15   6.175   3.373   1.336
  104   2HB   TYR  15          1HB       TYR  15   5.312   1.885   0.974
  105    HD1  TYR  15           1HD      TYR  15   6.615   4.752  -1.077
  106    HD2  TYR  15           2HD      TYR  15   6.449   0.540  -0.487
  107    HE1  TYR  15           1HE      TYR  15   8.002   4.422  -3.080
  108    HE2  TYR  15           2HE      TYR  15   7.837   0.200  -2.488
  109    HH   TYR  15           HH       TYR  15   8.766   1.173  -4.272
  110    H    THR  16           H        THR  16   2.947   5.484  -0.739
  111    HA   THR  16           HA       THR  16   4.846   7.637  -0.204
  112    HB   THR  16           HB       THR  16   2.296   7.629  -1.864
  113    HG1  THR  16           1HG      THR  16   4.633   6.565  -2.385
  114   1HG2  THR  16          1HG2      THR  16   2.712   9.789  -2.498
  115   2HG2  THR  16          2HG2      THR  16   4.447   9.657  -2.208
  116   3HG2  THR  16          3HG2      THR  16   3.339   9.847  -0.849
  117    HA   PRO  17           HA       PRO  17   2.901   9.144   3.490
  118   1HB   PRO  17          2HB       PRO  17   2.655  11.829   2.491
  119   2HB   PRO  17          1HB       PRO  17   3.826  11.194   3.647
  120   1HG   PRO  17          2HG       PRO  17   4.107  11.658   0.748
  121   2HG   PRO  17          1HG       PRO  17   5.357  11.569   2.002
  122   1HD   PRO  17          2HD       PRO  17   5.031   9.616   0.182
  123   2HD   PRO  17          1HD       PRO  17   5.510   9.259   1.856
  124    H    ARG  18           H        ARG  18   0.883   9.044   4.118
  125    HA   ARG  18           HA       ARG  18  -1.364   9.215   4.270
  126   1HB   ARG  18          2HB       ARG  18  -1.054  11.554   3.520
  127   2HB   ARG  18          1HB       ARG  18  -1.174  11.018   1.856
  128   1HG   ARG  18          2HG       ARG  18  -3.255  12.023   2.632
  129   2HG   ARG  18          1HG       ARG  18  -3.477  10.323   2.225
  130   1HD   ARG  18          2HD       ARG  18  -4.647  10.809   4.273
  131   2HD   ARG  18          1HD       ARG  18  -3.274   9.761   4.623
  132    HE   ARG  18           HE       ARG  18  -2.472  12.424   4.962
  133   1HH1  ARG  18          1HH1      ARG  18  -4.596  10.074   6.439
  134   2HH1  ARG  18          2HH1      ARG  18  -4.485  10.768   8.023
  135   1HH2  ARG  18          1HH2      ARG  18  -2.315  13.355   7.056
  136   2HH2  ARG  18          2HH2      ARG  18  -3.182  12.642   8.375
  137    H    CYS  19           H        CYS  19   0.160   7.317   2.560
  138    HA   CYS  19           HA       CYS  19  -2.118   6.007   1.375
  139   1HB   CYS  19          2HB       CYS  19  -1.491   7.087  -0.597
  140   2HB   CYS  19          1HB       CYS  19   0.224   7.006  -0.215
  141    H    SER  20           H        SER  20  -1.913   3.792   1.403
  142    HA   SER  20           HA       SER  20   0.698   2.623   1.892
  143   1HB   SER  20          2HB       SER  20  -0.683   1.300   3.818
  144   2HB   SER  20          1HB       SER  20   0.398   2.656   4.111
  145    HG   SER  20           HG       SER  20  -2.146   3.409   3.401
  146    H    CYS  21           H        CYS  21   0.930   0.620   1.210
  147    HA   CYS  21           HA       CYS  21  -1.229  -0.474  -0.361
  148   1HB   CYS  21          2HB       CYS  21   0.818  -0.736  -1.461
  149   2HB   CYS  21          1HB       CYS  21   1.674  -1.224  -0.007
  150    H    SER  22           H        SER  22  -2.773  -1.088   1.066
  151    HA   SER  22           HA       SER  22  -2.061  -2.996   3.161
  152   1HB   SER  22          2HB       SER  22  -3.554  -1.073   3.747
  153   2HB   SER  22          1HB       SER  22  -4.727  -1.663   2.570
  154    HG   SER  22           HG       SER  22  -4.996  -3.512   3.805
  155    H    TYR  23           H        TYR  23  -1.612  -4.757   1.893
  156    HA   TYR  23           HA       TYR  23  -2.778  -5.647  -0.347
  157   1HB   TYR  23          2HB       TYR  23  -1.916  -7.790   0.069
  158   2HB   TYR  23          1HB       TYR  23  -0.856  -6.703   0.954
  159    HD1  TYR  23           1HD      TYR  23  -0.717  -6.793   3.353
  160    HD2  TYR  23           2HD      TYR  23  -3.490  -9.247   1.254
  161    HE1  TYR  23           1HE      TYR  23  -1.060  -8.133   5.386
  162    HE2  TYR  23           2HE      TYR  23  -3.843 -10.592   3.287
  163    HH   TYR  23           HH       TYR  23  -3.549 -10.032   5.939
  164    HA   PRO  24           HA       PRO  24  -3.444  -6.527  -1.538
  165   1HB   PRO  24          2HB       PRO  24  -5.255  -7.441  -3.234
  166   2HB   PRO  24          1HB       PRO  24  -4.567  -8.504  -2.007
  167   1HG   PRO  24          2HG       PRO  24  -7.269  -7.292  -2.147
  168   2HG   PRO  24          1HG       PRO  24  -6.748  -8.790  -1.359
  169   1HD   PRO  24          2HD       PRO  24  -7.101  -6.171  -0.183
  170   2HD   PRO  24          1HD       PRO  24  -6.653  -7.689   0.623
  171    H    VAL  25           H        VAL  25  -4.689  -3.956  -0.545
  172    HA   VAL  25           HA       VAL  25  -5.111  -2.784  -3.198
  173    HB   VAL  25           HB       VAL  25  -7.065  -1.978  -1.076
  174   1HG1  VAL  25          1HG1      VAL  25  -8.353  -1.682  -3.395
  175   2HG1  VAL  25          2HG1      VAL  25  -6.690  -1.546  -3.967
  176   3HG1  VAL  25          3HG1      VAL  25  -7.286  -0.454  -2.716
  177   1HG2  VAL  25          1HG2      VAL  25  -8.027  -4.001  -1.109
  178   2HG2  VAL  25          2HG2      VAL  25  -7.131  -4.508  -2.541
  179   3HG2  VAL  25          3HG2      VAL  25  -8.595  -3.542  -2.714
  180    H    CYS  26           H        CYS  26  -4.471  -0.675  -3.353
  181    HA   CYS  26           HA       CYS  26  -2.984   0.421  -1.133
  182   1HB   CYS  26          2HB       CYS  26  -3.416   1.218  -4.006
  183   2HB   CYS  26          1HB       CYS  26  -2.567   2.246  -2.871
  184    H    LYS  27           H        LYS  27  -3.791   1.917   0.240
  185    HA   LYS  27           HA       LYS  27  -5.901   3.705  -0.633
  186   1HB   LYS  27          2HB       LYS  27  -6.175   1.665   1.556
  187   2HB   LYS  27          1HB       LYS  27  -7.057   3.178   1.630
  188   1HG   LYS  27          2HG       LYS  27  -7.225   1.170  -0.606
  189   2HG   LYS  27          1HG       LYS  27  -8.407   1.368   0.689
  190   1HD   LYS  27          2HD       LYS  27  -9.075   3.480  -0.092
  191   2HD   LYS  27          1HD       LYS  27  -7.643   3.649  -1.110
  192   1HE   LYS  27          2HE       LYS  27  -9.849   1.636  -1.533
  193   2HE   LYS  27          1HE       LYS  27  -9.688   3.161  -2.404
  194   1HZ   LYS  27          1HZ       LYS  27  -8.399   2.090  -3.841
  195   2HZ   LYS  27          2HZ       LYS  27  -8.407   0.686  -2.901
  196   3HZ   LYS  27          3HZ       LYS  27  -7.242   1.881  -2.620
  Start of MODEL    9
    1   1H    SER   1          1HT       SER   1   8.690   8.955  -6.952
    2   2H    SER   1          2HT       SER   1   7.022   9.048  -7.229
    3   3H    SER   1          3HT       SER   1   7.607   8.314  -5.821
    4    HA   SER   1           HA       SER   1   7.904  10.233  -4.753
    5   1HB   SER   1          2HB       SER   1   8.549  11.638  -7.345
    6   2HB   SER   1          1HB       SER   1   9.078  12.055  -5.713
    7    HG   SER   1           HG       SER   1  10.794  11.035  -6.608
    8    H    ALA   2           H        ALA   2   5.407   9.435  -5.389
    9    HA   ALA   2           HA       ALA   2   3.914  11.856  -5.363
   10   1HB   ALA   2          1HB       ALA   2   2.699  11.683  -7.391
   11   2HB   ALA   2          2HB       ALA   2   3.382  10.097  -7.751
   12   3HB   ALA   2          3HB       ALA   2   4.399  11.535  -7.834
   13    H    ILE   3           H        ILE   3   1.871  11.498  -4.516
   14    HA   ILE   3           HA       ILE   3   1.434   8.963  -3.283
   15    HB   ILE   3           HB       ILE   3  -0.565  11.214  -3.335
   16   1HG1  ILE   3          2HG1      ILE   3   1.811  10.954  -1.474
   17   2HG1  ILE   3          1HG1      ILE   3   1.690  12.121  -2.786
   18   1HG2  ILE   3          1HG2      ILE   3  -1.336   9.161  -2.319
   19   2HG2  ILE   3          2HG2      ILE   3  -1.066  10.367  -1.059
   20   3HG2  ILE   3          3HG2      ILE   3   0.110   9.077  -1.313
   21   1HD1  ILE   3          1HD1      ILE   3   0.026  11.989  -0.289
   22   2HD1  ILE   3          2HD1      ILE   3  -0.343  13.040  -1.656
   23   3HD1  ILE   3          3HD1      ILE   3   1.167  13.245  -0.767
   24    H    SER   4           H        SER   4   1.452   8.516  -5.955
   25    HA   SER   4           HA       SER   4  -1.238   8.470  -7.003
   26   1HB   SER   4          2HB       SER   4   0.728   8.824  -8.479
   27   2HB   SER   4          1HB       SER   4   1.282   7.194  -8.102
   28    HG   SER   4           HG       SER   4  -0.602   6.389  -9.069
   29    H    CYS   5           H        CYS   5  -2.633   7.008  -6.237
   30    HA   CYS   5           HA       CYS   5  -1.753   4.263  -5.987
   31   1HB   CYS   5          2HB       CYS   5  -3.267   5.848  -3.902
   32   2HB   CYS   5          1HB       CYS   5  -3.064   4.109  -3.877
   33    H    GLY   6           H        GLY   6  -4.712   4.568  -4.623
   34   1HA   GLY   6          2HA       GLY   6  -6.847   4.034  -5.304
   35   2HA   GLY   6          1HA       GLY   6  -6.503   5.028  -6.714
   36    H    GLU   7           H        GLU   7  -4.927   2.054  -5.684
   37    HA   GLU   7           HA       GLU   7  -6.110   0.551  -7.883
   38   1HB   GLU   7          2HB       GLU   7  -3.789  -0.175  -8.581
   39   2HB   GLU   7          1HB       GLU   7  -4.188   1.498  -8.961
   40   1HG   GLU   7          2HG       GLU   7  -2.949   2.270  -7.046
   41   2HG   GLU   7          1HG       GLU   7  -2.629   0.617  -6.543
   42    H    THR   8           H        THR   8  -4.903  -1.695  -7.870
   43    HA   THR   8           HA       THR   8  -5.250  -2.762  -5.192
   44    HB   THR   8           HB       THR   8  -4.837  -4.980  -6.424
   45    HG1  THR   8           1HG      THR   8  -3.944  -3.623  -8.302
   46   1HG2  THR   8          1HG2      THR   8  -7.059  -4.941  -6.145
   47   2HG2  THR   8          2HG2      THR   8  -7.154  -4.352  -7.805
   48   3HG2  THR   8          3HG2      THR   8  -7.145  -3.209  -6.463
   49    H    CYS   9           H        CYS   9  -3.616  -4.005  -4.125
   50    HA   CYS   9           HA       CYS   9  -0.944  -3.959  -5.248
   51   1HB   CYS   9          2HB       CYS   9  -1.171  -1.762  -4.187
   52   2HB   CYS   9          1HB       CYS   9  -1.625  -2.534  -2.674
   53    H    PHE  10           H        PHE  10  -0.813  -6.131  -5.131
   54    HA   PHE  10           HA       PHE  10  -1.458  -7.558  -2.702
   55   1HB   PHE  10          2HB       PHE  10  -0.388  -8.468  -5.380
   56   2HB   PHE  10          1HB       PHE  10  -0.756  -9.547  -4.051
   57    HD1  PHE  10           1HD      PHE  10  -2.733 -10.677  -4.205
   58    HD2  PHE  10           2HD      PHE  10  -2.466  -6.786  -5.910
   59    HE1  PHE  10           1HE      PHE  10  -5.047 -10.875  -5.014
   60    HE2  PHE  10           2HE      PHE  10  -4.783  -6.975  -6.715
   61    HZ   PHE  10           HZ       PHE  10  -6.076  -9.022  -6.268
   62    H    LYS  11           H        LYS  11   0.586  -5.761  -2.167
   63    HA   LYS  11           HA       LYS  11   2.586  -7.437  -1.097
   64   1HB   LYS  11          2HB       LYS  11   3.091  -7.168  -3.702
   65   2HB   LYS  11          1HB       LYS  11   3.830  -5.670  -3.153
   66   1HG   LYS  11          2HG       LYS  11   5.308  -6.881  -1.687
   67   2HG   LYS  11          1HG       LYS  11   4.510  -8.403  -2.089
   68   1HD   LYS  11          2HD       LYS  11   5.172  -8.001  -4.479
   69   2HD   LYS  11          1HD       LYS  11   6.147  -6.645  -3.909
   70   1HE   LYS  11          2HE       LYS  11   7.529  -8.620  -4.168
   71   2HE   LYS  11          1HE       LYS  11   7.408  -8.180  -2.465
   72   1HZ   LYS  11          1HZ       LYS  11   6.807 -10.629  -3.634
   73   2HZ   LYS  11          2HZ       LYS  11   5.334  -9.972  -3.123
   74   3HZ   LYS  11          3HZ       LYS  11   6.598 -10.177  -2.017
   75    H    PHE  12           H        PHE  12   4.104  -4.657  -2.195
   76    HA   PHE  12           HA       PHE  12   3.096  -2.856  -0.175
   77   1HB   PHE  12          2HB       PHE  12   5.546  -2.527   0.656
   78   2HB   PHE  12          1HB       PHE  12   4.586  -3.847   1.306
   79    HD1  PHE  12           1HD      PHE  12   5.747  -5.774   1.638
   80    HD2  PHE  12           2HD      PHE  12   6.799  -3.325  -1.679
   81    HE1  PHE  12           1HE      PHE  12   7.517  -7.367   1.028
   82    HE2  PHE  12           2HE      PHE  12   8.568  -4.917  -2.298
   83    HZ   PHE  12           HZ       PHE  12   8.929  -6.942  -0.944
   84    H    LYS  13           H        LYS  13   2.709  -2.304  -2.625
   85    HA   LYS  13           HA       LYS  13   4.949  -0.958  -3.847
   86   1HB   LYS  13          2HB       LYS  13   3.414  -2.291  -5.217
   87   2HB   LYS  13          1HB       LYS  13   2.080  -1.258  -4.745
   88   1HG   LYS  13          2HG       LYS  13   4.443  -0.120  -6.188
   89   2HG   LYS  13          1HG       LYS  13   3.165  -0.957  -7.067
   90   1HD   LYS  13          2HD       LYS  13   1.536   0.614  -5.929
   91   2HD   LYS  13          1HD       LYS  13   2.938   1.534  -5.386
   92   1HE   LYS  13          2HE       LYS  13   2.250   2.617  -7.343
   93   2HE   LYS  13          1HE       LYS  13   3.613   1.619  -7.850
   94   1HZ   LYS  13          1HZ       LYS  13   1.772  -0.087  -8.406
   95   2HZ   LYS  13          2HZ       LYS  13   2.034   1.203  -9.463
   96   3HZ   LYS  13          3HZ       LYS  13   0.733   1.252  -8.378
   97    H    CYS  14           H        CYS  14   1.835  -0.026  -2.465
   98    HA   CYS  14           HA       CYS  14   2.429   2.767  -2.930
   99   1HB   CYS  14          2HB       CYS  14   0.076   1.484  -1.538
  100   2HB   CYS  14          1HB       CYS  14   0.213   3.187  -1.969
  101    H    TYR  15           H        TYR  15   4.331   2.829  -1.648
  102    HA   TYR  15           HA       TYR  15   3.891   2.786   1.252
  103   1HB   TYR  15          2HB       TYR  15   6.449   2.957   1.293
  104   2HB   TYR  15          1HB       TYR  15   5.756   1.443   0.726
  105    HD1  TYR  15           1HD      TYR  15   6.766   0.496  -1.104
  106    HD2  TYR  15           2HD      TYR  15   6.796   4.736  -0.745
  107    HE1  TYR  15           1HE      TYR  15   8.078   0.659  -3.178
  108    HE2  TYR  15           2HE      TYR  15   8.105   4.909  -2.818
  109    HH   TYR  15           HH       TYR  15   9.216   2.018  -4.537
  110    H    THR  16           H        THR  16   3.684   4.894  -1.199
  111    HA   THR  16           HA       THR  16   5.155   7.138  -0.299
  112    HB   THR  16           HB       THR  16   2.636   7.241  -1.976
  113    HG1  THR  16           1HG      THR  16   3.695   6.189  -3.464
  114   1HG2  THR  16          1HG2      THR  16   3.685   9.191  -2.969
  115   2HG2  THR  16          2HG2      THR  16   5.129   8.949  -1.986
  116   3HG2  THR  16          3HG2      THR  16   3.603   9.389  -1.219
  117    HA   PRO  17           HA       PRO  17   2.944   8.430   3.331
  118   1HB   PRO  17          2HB       PRO  17   3.419  11.114   2.095
  119   2HB   PRO  17          1HB       PRO  17   3.673  10.585   3.762
  120   1HG   PRO  17          2HG       PRO  17   5.729  10.814   2.091
  121   2HG   PRO  17          1HG       PRO  17   5.644   9.475   3.250
  122   1HD   PRO  17          2HD       PRO  17   5.221   9.463   0.309
  123   2HD   PRO  17          1HD       PRO  17   5.833   8.179   1.369
  124    H    ARG  18           H        ARG  18   0.900   8.854   3.847
  125    HA   ARG  18           HA       ARG  18  -1.276   9.456   3.774
  126   1HB   ARG  18          2HB       ARG  18  -0.555  11.592   2.798
  127   2HB   ARG  18          1HB       ARG  18  -0.566  10.869   1.203
  128   1HG   ARG  18          2HG       ARG  18  -2.523  12.314   1.673
  129   2HG   ARG  18          1HG       ARG  18  -2.954  10.661   1.242
  130   1HD   ARG  18          2HD       ARG  18  -2.679  11.465   4.117
  131   2HD   ARG  18          1HD       ARG  18  -4.162  11.813   3.228
  132    HE   ARG  18           HE       ARG  18  -3.556   9.128   2.805
  133   1HH1  ARG  18          1HH1      ARG  18  -4.456  11.200   5.486
  134   2HH1  ARG  18          2HH1      ARG  18  -5.218   9.928   6.381
  135   1HH2  ARG  18          1HH2      ARG  18  -4.553   7.448   3.974
  136   2HH2  ARG  18          2HH2      ARG  18  -5.269   7.779   5.519
  137    H    CYS  19           H        CYS  19   0.173   7.230   2.185
  138    HA   CYS  19           HA       CYS  19  -2.276   6.028   1.257
  139   1HB   CYS  19          2HB       CYS  19  -1.516   7.093  -0.804
  140   2HB   CYS  19          1HB       CYS  19   0.082   6.374  -0.611
  141    H    SER  20           H        SER  20  -2.242   3.831   1.498
  142    HA   SER  20           HA       SER  20   0.335   2.624   2.208
  143   1HB   SER  20          2HB       SER  20  -1.575   1.389   3.845
  144   2HB   SER  20          1HB       SER  20  -0.279   2.474   4.340
  145    HG   SER  20           HG       SER  20  -2.661   3.573   3.331
  146    H    CYS  21           H        CYS  21   0.688   0.702   1.407
  147    HA   CYS  21           HA       CYS  21  -1.321  -0.462  -0.318
  148   1HB   CYS  21          2HB       CYS  21   0.805  -0.493  -1.321
  149   2HB   CYS  21          1HB       CYS  21   1.611  -1.049   0.138
  150    H    SER  22           H        SER  22  -2.857  -1.128   1.170
  151    HA   SER  22           HA       SER  22  -2.106  -3.098   3.161
  152   1HB   SER  22          2HB       SER  22  -4.770  -1.797   2.507
  153   2HB   SER  22          1HB       SER  22  -4.437  -2.829   3.886
  154    HG   SER  22           HG       SER  22  -3.696  -0.189   3.423
  155    H    TYR  23           H        TYR  23  -1.525  -4.746   1.744
  156    HA   TYR  23           HA       TYR  23  -2.643  -5.598  -0.523
  157   1HB   TYR  23          2HB       TYR  23  -1.639  -7.686  -0.226
  158   2HB   TYR  23          1HB       TYR  23  -0.675  -6.609   0.770
  159    HD1  TYR  23           1HD      TYR  23  -0.597  -6.874   3.161
  160    HD2  TYR  23           2HD      TYR  23  -3.153  -9.323   0.795
  161    HE1  TYR  23           1HE      TYR  23  -0.909  -8.386   5.075
  162    HE2  TYR  23           2HE      TYR  23  -3.476 -10.838   2.709
  163    HH   TYR  23           HH       TYR  23  -3.303 -10.500   5.375
  164    HA   PRO  24           HA       PRO  24  -3.287  -6.340  -1.772
  165   1HB   PRO  24          2HB       PRO  24  -5.042  -7.249  -3.526
  166   2HB   PRO  24          1HB       PRO  24  -4.276  -8.353  -2.384
  167   1HG   PRO  24          2HG       PRO  24  -7.057  -7.329  -2.432
  168   2HG   PRO  24          1HG       PRO  24  -6.424  -8.833  -1.744
  169   1HD   PRO  24          2HD       PRO  24  -6.942  -6.311  -0.408
  170   2HD   PRO  24          1HD       PRO  24  -6.420  -7.853   0.305
  171    H    VAL  25           H        VAL  25  -4.664  -3.945  -0.585
  172    HA   VAL  25           HA       VAL  25  -5.313  -2.637  -3.140
  173    HB   VAL  25           HB       VAL  25  -7.095  -2.137  -0.771
  174   1HG1  VAL  25          1HG1      VAL  25  -8.600  -1.196  -2.454
  175   2HG1  VAL  25          2HG1      VAL  25  -7.422  -1.578  -3.710
  176   3HG1  VAL  25          3HG1      VAL  25  -7.024  -0.403  -2.458
  177   1HG2  VAL  25          1HG2      VAL  25  -7.130  -4.479  -2.433
  178   2HG2  VAL  25          2HG2      VAL  25  -8.598  -3.535  -2.682
  179   3HG2  VAL  25          3HG2      VAL  25  -8.158  -4.069  -1.059
  180    H    CYS  26           H        CYS  26  -4.845  -0.474  -3.218
  181    HA   CYS  26           HA       CYS  26  -3.220   0.576  -1.045
  182   1HB   CYS  26          2HB       CYS  26  -3.731   1.452  -3.886
  183   2HB   CYS  26          1HB       CYS  26  -2.769   2.373  -2.753
  184    H    LYS  27           H        LYS  27  -4.032   2.021   0.386
  185    HA   LYS  27           HA       LYS  27  -6.088   3.884  -0.454
  186   1HB   LYS  27          2HB       LYS  27  -6.552   1.639   1.435
  187   2HB   LYS  27          1HB       LYS  27  -7.222   3.199   1.874
  188   1HG   LYS  27          2HG       LYS  27  -7.762   1.688  -0.671
  189   2HG   LYS  27          1HG       LYS  27  -8.855   1.839   0.704
  190   1HD   LYS  27          2HD       LYS  27  -7.852   4.138  -0.979
  191   2HD   LYS  27          1HD       LYS  27  -9.427   3.367  -1.154
  192   1HE   LYS  27          2HE       LYS  27  -9.995   5.146   0.168
  193   2HE   LYS  27          1HE       LYS  27  -9.629   3.948   1.406
  194   1HZ   LYS  27          1HZ       LYS  27  -7.289   4.947   1.369
  195   2HZ   LYS  27          2HZ       LYS  27  -8.518   5.865   2.083
  196   3HZ   LYS  27          3HZ       LYS  27  -7.984   6.242   0.528
  Start of MODEL   10
    1   1H    SER   1          1HT       SER   1   8.671   9.886  -7.690
    2   2H    SER   1          2HT       SER   1   9.055  11.506  -7.987
    3   3H    SER   1          3HT       SER   1   8.643  10.486  -9.271
    4    HA   SER   1           HA       SER   1   6.954  12.137  -7.912
    5   1HB   SER   1          2HB       SER   1   6.813  11.144 -10.244
    6   2HB   SER   1          1HB       SER   1   6.202   9.666  -9.503
    7    HG   SER   1           HG       SER   1   4.419  10.828 -10.038
    8    H    ALA   2           H        ALA   2   4.978  11.646  -6.709
    9    HA   ALA   2           HA       ALA   2   5.481   9.958  -4.481
   10   1HB   ALA   2          1HB       ALA   2   4.194  11.901  -4.085
   11   2HB   ALA   2          2HB       ALA   2   3.087  10.542  -3.893
   12   3HB   ALA   2          3HB       ALA   2   3.055  11.502  -5.372
   13    H    ILE   3           H        ILE   3   4.900   7.894  -4.112
   14    HA   ILE   3           HA       ILE   3   3.788   6.379  -6.269
   15    HB   ILE   3           HB       ILE   3   4.495   5.368  -3.514
   16   1HG1  ILE   3          2HG1      ILE   3   6.215   5.513  -6.005
   17   2HG1  ILE   3          1HG1      ILE   3   6.410   6.524  -4.578
   18   1HG2  ILE   3          1HG2      ILE   3   3.285   3.672  -4.525
   19   2HG2  ILE   3          2HG2      ILE   3   4.933   3.272  -5.010
   20   3HG2  ILE   3          3HG2      ILE   3   3.854   4.088  -6.142
   21   1HD1  ILE   3          1HD1      ILE   3   7.581   4.034  -5.110
   22   2HD1  ILE   3          2HD1      ILE   3   6.424   3.778  -3.803
   23   3HD1  ILE   3          3HD1      ILE   3   7.689   4.994  -3.634
   24    H    SER   4           H        SER   4   1.820   7.723  -6.095
   25    HA   SER   4           HA       SER   4  -0.073   7.554  -4.080
   26   1HB   SER   4          2HB       SER   4  -0.566   7.846  -7.050
   27   2HB   SER   4          1HB       SER   4  -1.606   8.394  -5.743
   28    HG   SER   4           HG       SER   4   0.833   9.446  -6.636
   29    H    CYS   5           H        CYS   5  -2.048   6.333  -3.990
   30    HA   CYS   5           HA       CYS   5  -1.673   3.590  -4.782
   31   1HB   CYS   5          2HB       CYS   5  -3.868   4.837  -3.128
   32   2HB   CYS   5          1HB       CYS   5  -3.404   3.141  -3.181
   33    H    GLY   6           H        GLY   6  -4.871   4.099  -4.362
   34   1HA   GLY   6          2HA       GLY   6  -6.722   4.161  -5.719
   35   2HA   GLY   6          1HA       GLY   6  -5.744   5.032  -6.886
   36    H    GLU   7           H        GLU   7  -5.062   1.789  -5.670
   37    HA   GLU   7           HA       GLU   7  -6.201   0.434  -7.909
   38   1HB   GLU   7          2HB       GLU   7  -4.215  -0.268  -9.044
   39   2HB   GLU   7          1HB       GLU   7  -4.143   1.485  -8.925
   40   1HG   GLU   7          2HG       GLU   7  -2.463   1.435  -7.325
   41   2HG   GLU   7          1HG       GLU   7  -2.807  -0.235  -6.876
   42    H    THR   8           H        THR   8  -5.323  -1.915  -7.955
   43    HA   THR   8           HA       THR   8  -5.546  -2.974  -5.295
   44    HB   THR   8           HB       THR   8  -5.137  -5.186  -6.561
   45    HG1  THR   8           1HG      THR   8  -4.264  -3.853  -8.427
   46   1HG2  THR   8          1HG2      THR   8  -7.355  -5.231  -6.332
   47   2HG2  THR   8          2HG2      THR   8  -7.497  -4.396  -7.880
   48   3HG2  THR   8          3HG2      THR   8  -7.434  -3.470  -6.379
   49    H    CYS   9           H        CYS   9  -3.927  -4.178  -4.173
   50    HA   CYS   9           HA       CYS   9  -1.257  -4.234  -5.324
   51   1HB   CYS   9          2HB       CYS   9  -1.430  -2.000  -4.322
   52   2HB   CYS   9          1HB       CYS   9  -1.879  -2.719  -2.782
   53    H    PHE  10           H        PHE  10  -1.351  -6.462  -5.168
   54    HA   PHE  10           HA       PHE  10  -1.925  -7.755  -2.656
   55   1HB   PHE  10          2HB       PHE  10  -1.025  -8.805  -5.346
   56   2HB   PHE  10          1HB       PHE  10  -1.346  -9.827  -3.959
   57    HD1  PHE  10           1HD      PHE  10  -3.343 -10.934  -4.039
   58    HD2  PHE  10           2HD      PHE  10  -3.098  -7.031  -5.721
   59    HE1  PHE  10           1HE      PHE  10  -5.711 -11.069  -4.693
   60    HE2  PHE  10           2HE      PHE  10  -5.466  -7.159  -6.373
   61    HZ   PHE  10           HZ       PHE  10  -6.776  -9.180  -5.859
   62    H    LYS  11           H        LYS  11   0.360  -5.941  -2.725
   63    HA   LYS  11           HA       LYS  11   2.324  -7.699  -1.544
   64   1HB   LYS  11          2HB       LYS  11   2.922  -6.122  -4.045
   65   2HB   LYS  11          1HB       LYS  11   4.188  -6.554  -2.908
   66   1HG   LYS  11          2HG       LYS  11   2.413  -8.487  -4.387
   67   2HG   LYS  11          1HG       LYS  11   4.091  -8.108  -4.779
   68   1HD   LYS  11          2HD       LYS  11   3.186  -9.266  -2.143
   69   2HD   LYS  11          1HD       LYS  11   3.775 -10.233  -3.496
   70   1HE   LYS  11          2HE       LYS  11   5.347  -8.044  -2.141
   71   2HE   LYS  11          1HE       LYS  11   5.499  -9.761  -1.768
   72   1HZ   LYS  11          1HZ       LYS  11   6.959  -8.441  -3.613
   73   2HZ   LYS  11          2HZ       LYS  11   5.756  -9.148  -4.571
   74   3HZ   LYS  11          3HZ       LYS  11   6.727 -10.119  -3.582
   75    H    PHE  12           H        PHE  12   3.922  -4.969  -2.469
   76    HA   PHE  12           HA       PHE  12   2.872  -3.175  -0.445
   77   1HB   PHE  12          2HB       PHE  12   5.688  -4.289  -0.297
   78   2HB   PHE  12          1HB       PHE  12   5.127  -2.896   0.615
   79    HD1  PHE  12           1HD      PHE  12   3.583  -3.162   2.469
   80    HD2  PHE  12           2HD      PHE  12   5.065  -6.529   0.326
   81    HE1  PHE  12           1HE      PHE  12   2.859  -4.640   4.297
   82    HE2  PHE  12           2HE      PHE  12   4.337  -8.013   2.148
   83    HZ   PHE  12           HZ       PHE  12   3.233  -7.069   4.137
   84    H    LYS  13           H        LYS  13   2.530  -2.281  -2.760
   85    HA   LYS  13           HA       LYS  13   4.936  -1.160  -3.930
   86   1HB   LYS  13          2HB       LYS  13   2.052  -1.035  -4.776
   87   2HB   LYS  13          1HB       LYS  13   3.334  -0.181  -5.616
   88   1HG   LYS  13          2HG       LYS  13   4.429  -2.513  -5.825
   89   2HG   LYS  13          1HG       LYS  13   2.808  -3.115  -5.457
   90   1HD   LYS  13          2HD       LYS  13   3.593  -1.290  -7.732
   91   2HD   LYS  13          1HD       LYS  13   3.073  -2.972  -7.856
   92   1HE   LYS  13          2HE       LYS  13   0.864  -2.445  -7.249
   93   2HE   LYS  13          1HE       LYS  13   1.322  -0.860  -6.632
   94   1HZ   LYS  13          1HZ       LYS  13   1.468   0.014  -8.741
   95   2HZ   LYS  13          2HZ       LYS  13   0.165  -1.053  -8.916
   96   3HZ   LYS  13          3HZ       LYS  13   1.701  -1.488  -9.484
   97    H    CYS  14           H        CYS  14   1.910   0.120  -2.601
   98    HA   CYS  14           HA       CYS  14   2.928   2.816  -2.781
   99   1HB   CYS  14          2HB       CYS  14   0.354   1.948  -1.477
  100   2HB   CYS  14          1HB       CYS  14   0.745   3.518  -2.173
  101    H    TYR  15           H        TYR  15   3.902   3.907  -1.248
  102    HA   TYR  15           HA       TYR  15   3.336   3.472   1.530
  103   1HB   TYR  15          2HB       TYR  15   5.783   3.144   2.116
  104   2HB   TYR  15          1HB       TYR  15   4.966   1.761   1.405
  105    HD1  TYR  15           1HD      TYR  15   6.973   4.720   0.257
  106    HD2  TYR  15           2HD      TYR  15   6.128   0.572  -0.160
  107    HE1  TYR  15           1HE      TYR  15   8.751   4.532  -1.431
  108    HE2  TYR  15           2HE      TYR  15   7.901   0.373  -1.849
  109    HH   TYR  15           HH       TYR  15   9.253   1.567  -3.245
  110    H    THR  16           H        THR  16   3.312   5.543  -0.620
  111    HA   THR  16           HA       THR  16   5.172   7.545   0.355
  112    HB   THR  16           HB       THR  16   3.043   7.623  -1.818
  113    HG1  THR  16           1HG      THR  16   5.652   6.935  -1.713
  114   1HG2  THR  16          1HG2      THR  16   4.626   9.817  -0.565
  115   2HG2  THR  16          2HG2      THR  16   3.007   9.847  -1.262
  116   3HG2  THR  16          3HG2      THR  16   4.420   9.839  -2.318
  117    HA   PRO  17           HA       PRO  17   2.908   9.089   3.816
  118   1HB   PRO  17          2HB       PRO  17   3.032  11.755   2.612
  119   2HB   PRO  17          1HB       PRO  17   3.755  11.164   4.108
  120   1HG   PRO  17          2HG       PRO  17   4.972  11.466   1.493
  121   2HG   PRO  17          1HG       PRO  17   5.743  11.076   3.037
  122   1HD   PRO  17          2HD       PRO  17   5.547   9.315   0.959
  123   2HD   PRO  17          1HD       PRO  17   5.623   8.813   2.661
  124    H    ARG  18           H        ARG  18   0.843   8.995   4.176
  125    HA   ARG  18           HA       ARG  18  -1.391   9.364   4.148
  126   1HB   ARG  18          2HB       ARG  18  -0.779  11.671   3.391
  127   2HB   ARG  18          1HB       ARG  18  -0.912  11.109   1.738
  128   1HG   ARG  18          2HG       ARG  18  -3.324  10.503   2.312
  129   2HG   ARG  18          1HG       ARG  18  -3.085  11.455   3.777
  130   1HD   ARG  18          2HD       ARG  18  -4.082  12.889   2.161
  131   2HD   ARG  18          1HD       ARG  18  -2.394  13.368   2.312
  132    HE   ARG  18           HE       ARG  18  -3.674  12.139   0.009
  133   1HH1  ARG  18          1HH1      ARG  18  -0.689  13.227   1.485
  134   2HH1  ARG  18          2HH1      ARG  18   0.232  13.092   0.027
  135   1HH2  ARG  18          1HH2      ARG  18  -2.464  11.978  -1.923
  136   2HH2  ARG  18          2HH2      ARG  18  -0.781  12.389  -1.918
  137    H    CYS  19           H        CYS  19   0.234   7.428   2.410
  138    HA   CYS  19           HA       CYS  19  -2.060   6.226   1.121
  139   1HB   CYS  19          2HB       CYS  19  -0.401   7.815  -0.431
  140   2HB   CYS  19          1HB       CYS  19   0.235   6.195  -0.694
  141    H    SER  20           H        SER  20  -1.921   3.995   1.194
  142    HA   SER  20           HA       SER  20   0.683   2.768   1.606
  143   1HB   SER  20          2HB       SER  20  -0.573   1.504   3.607
  144   2HB   SER  20          1HB       SER  20   0.422   2.938   3.840
  145    HG   SER  20           HG       SER  20  -2.174   3.501   3.148
  146    H    CYS  21           H        CYS  21   0.873   0.725   1.066
  147    HA   CYS  21           HA       CYS  21  -1.320  -0.424  -0.441
  148   1HB   CYS  21          2HB       CYS  21   0.760  -0.634  -1.554
  149   2HB   CYS  21          1HB       CYS  21   1.582  -1.198  -0.104
  150    H    SER  22           H        SER  22  -2.802  -1.026   1.042
  151    HA   SER  22           HA       SER  22  -2.020  -2.851   3.185
  152   1HB   SER  22          2HB       SER  22  -3.568  -0.956   3.713
  153   2HB   SER  22          1HB       SER  22  -4.726  -1.616   2.561
  154    HG   SER  22           HG       SER  22  -4.927  -3.439   3.854
  155    H    TYR  23           H        TYR  23  -1.485  -4.587   1.866
  156    HA   TYR  23           HA       TYR  23  -2.683  -5.597  -0.297
  157   1HB   TYR  23          2HB       TYR  23  -1.692  -7.683   0.133
  158   2HB   TYR  23          1HB       TYR  23  -0.657  -6.513   0.936
  159    HD1  TYR  23           1HD      TYR  23  -0.380  -6.542   3.319
  160    HD2  TYR  23           2HD      TYR  23  -3.150  -9.172   1.439
  161    HE1  TYR  23           1HE      TYR  23  -0.550  -7.840   5.401
  162    HE2  TYR  23           2HE      TYR  23  -3.332 -10.473   3.522
  163    HH   TYR  23           HH       TYR  23  -2.904  -9.790   6.162
  164    HA   PRO  24           HA       PRO  24  -3.315  -6.634  -1.438
  165   1HB   PRO  24          2HB       PRO  24  -5.141  -7.645  -3.059
  166   2HB   PRO  24          1HB       PRO  24  -4.393  -8.657  -1.823
  167   1HG   PRO  24          2HG       PRO  24  -7.122  -7.486  -1.906
  168   2HG   PRO  24          1HG       PRO  24  -6.564  -8.986  -1.147
  169   1HD   PRO  24          2HD       PRO  24  -6.947  -6.418   0.085
  170   2HD   PRO  24          1HD       PRO  24  -6.361  -7.915   0.841
  171    H    VAL  25           H        VAL  25  -4.530  -4.075  -0.484
  172    HA   VAL  25           HA       VAL  25  -5.163  -3.002  -3.142
  173    HB   VAL  25           HB       VAL  25  -6.886  -2.158  -0.832
  174   1HG1  VAL  25          1HG1      VAL  25  -7.474  -2.015  -3.771
  175   2HG1  VAL  25          2HG1      VAL  25  -6.607  -0.750  -2.900
  176   3HG1  VAL  25          3HG1      VAL  25  -8.265  -1.152  -2.452
  177   1HG2  VAL  25          1HG2      VAL  25  -7.086  -4.662  -2.261
  178   2HG2  VAL  25          2HG2      VAL  25  -8.525  -3.669  -2.497
  179   3HG2  VAL  25          3HG2      VAL  25  -7.999  -4.086  -0.866
  180    H    CYS  26           H        CYS  26  -4.518  -0.910  -3.428
  181    HA   CYS  26           HA       CYS  26  -2.851   0.218  -1.334
  182   1HB   CYS  26          2HB       CYS  26  -3.136   0.551  -4.270
  183   2HB   CYS  26          1HB       CYS  26  -2.643   1.969  -3.366
  184    H    LYS  27           H        LYS  27  -3.621   1.721   0.017
  185    HA   LYS  27           HA       LYS  27  -5.824   3.433  -0.901
  186   1HB   LYS  27          2HB       LYS  27  -6.946   1.898   0.496
  187   2HB   LYS  27          1HB       LYS  27  -5.630   1.861   1.659
  188   1HG   LYS  27          2HG       LYS  27  -7.564   3.066   2.522
  189   2HG   LYS  27          1HG       LYS  27  -6.160   4.122   2.367
  190   1HD   LYS  27          2HD       LYS  27  -7.259   4.569  -0.018
  191   2HD   LYS  27          1HD       LYS  27  -8.720   4.124   0.867
  192   1HE   LYS  27          2HE       LYS  27  -8.390   6.526   0.951
  193   2HE   LYS  27          1HE       LYS  27  -8.195   5.828   2.559
  194   1HZ   LYS  27          1HZ       LYS  27  -6.449   7.515   1.421
  195   2HZ   LYS  27          2HZ       LYS  27  -5.746   6.029   1.016
  196   3HZ   LYS  27          3HZ       LYS  27  -6.044   6.414   2.638
  Start of MODEL   11
    1   1H    SER   1          1HT       SER   1   4.237  16.118  -5.055
    2   2H    SER   1          2HT       SER   1   2.752  16.549  -4.367
    3   3H    SER   1          3HT       SER   1   2.815  16.001  -5.967
    4    HA   SER   1           HA       SER   1   2.750  13.882  -5.382
    5   1HB   SER   1          2HB       SER   1   5.150  14.166  -4.663
    6   2HB   SER   1          1HB       SER   1   4.566  14.539  -3.042
    7    HG   SER   1           HG       SER   1   5.147  12.314  -3.333
    8    H    ALA   2           H        ALA   2   1.338  12.661  -4.116
    9    HA   ALA   2           HA       ALA   2   0.436  13.454  -1.541
   10   1HB   ALA   2          1HB       ALA   2  -1.991  13.821  -2.434
   11   2HB   ALA   2          2HB       ALA   2  -1.175  14.274  -3.929
   12   3HB   ALA   2          3HB       ALA   2  -0.847  15.163  -2.442
   13    H    ILE   3           H        ILE   3  -2.311  12.370  -2.238
   14    HA   ILE   3           HA       ILE   3  -1.665   9.608  -1.879
   15    HB   ILE   3           HB       ILE   3  -4.445  10.690  -2.315
   16   1HG1  ILE   3          2HG1      ILE   3  -4.379  10.581   0.340
   17   2HG1  ILE   3          1HG1      ILE   3  -2.671  10.917   0.079
   18   1HG2  ILE   3          1HG2      ILE   3  -3.680   8.146  -2.138
   19   2HG2  ILE   3          2HG2      ILE   3  -5.212   8.720  -1.477
   20   3HG2  ILE   3          3HG2      ILE   3  -3.821   8.502  -0.415
   21   1HD1  ILE   3          1HD1      ILE   3  -3.119  13.065  -0.165
   22   2HD1  ILE   3          2HD1      ILE   3  -4.822  12.731   0.147
   23   3HD1  ILE   3          3HD1      ILE   3  -4.208  12.713  -1.506
   24    H    SER   4           H        SER   4  -0.570  10.097  -4.189
   25    HA   SER   4           HA       SER   4  -2.281   9.763  -6.449
   26   1HB   SER   4          2HB       SER   4   0.721   9.482  -6.212
   27   2HB   SER   4          1HB       SER   4  -0.200   9.724  -7.688
   28    HG   SER   4           HG       SER   4  -0.883  11.748  -6.818
   29    H    CYS   5           H        CYS   5  -3.121   7.763  -5.038
   30    HA   CYS   5           HA       CYS   5  -1.811   5.381  -6.120
   31   1HB   CYS   5          2HB       CYS   5  -3.082   5.824  -3.419
   32   2HB   CYS   5          1HB       CYS   5  -2.623   4.246  -4.029
   33    H    GLY   6           H        GLY   6  -4.503   4.694  -4.260
   34   1HA   GLY   6          2HA       GLY   6  -6.688   4.149  -4.722
   35   2HA   GLY   6          1HA       GLY   6  -6.596   5.229  -6.105
   36    H    GLU   7           H        GLU   7  -4.660   2.353  -5.422
   37    HA   GLU   7           HA       GLU   7  -5.980   0.939  -7.614
   38   1HB   GLU   7          2HB       GLU   7  -3.813   0.263  -8.559
   39   2HB   GLU   7          1HB       GLU   7  -4.026   2.008  -8.622
   40   1HG   GLU   7          2HG       GLU   7  -2.517   2.355  -6.849
   41   2HG   GLU   7          1HG       GLU   7  -2.511   0.648  -6.417
   42    H    THR   8           H        THR   8  -4.884  -1.347  -7.743
   43    HA   THR   8           HA       THR   8  -5.059  -2.468  -5.053
   44    HB   THR   8           HB       THR   8  -5.136  -4.667  -6.348
   45    HG1  THR   8           1HG      THR   8  -4.296  -3.464  -8.319
   46   1HG2  THR   8          1HG2      THR   8  -7.163  -2.585  -6.101
   47   2HG2  THR   8          2HG2      THR   8  -7.269  -4.312  -5.757
   48   3HG2  THR   8          3HG2      THR   8  -7.503  -3.725  -7.404
   49    H    CYS   9           H        CYS   9  -3.444  -3.806  -4.181
   50    HA   CYS   9           HA       CYS   9  -1.033  -4.269  -5.698
   51   1HB   CYS   9          2HB       CYS   9   0.451  -3.197  -4.075
   52   2HB   CYS   9          1HB       CYS   9  -0.652  -2.021  -4.776
   53    H    PHE  10           H        PHE  10  -1.130  -6.396  -5.460
   54    HA   PHE  10           HA       PHE  10  -1.854  -7.699  -3.021
   55   1HB   PHE  10          2HB       PHE  10  -0.764  -8.728  -5.644
   56   2HB   PHE  10          1HB       PHE  10  -1.209  -9.769  -4.305
   57    HD1  PHE  10           1HD      PHE  10  -2.721  -6.958  -6.257
   58    HD2  PHE  10           2HD      PHE  10  -3.262 -10.762  -4.426
   59    HE1  PHE  10           1HE      PHE  10  -5.041  -7.015  -7.071
   60    HE2  PHE  10           2HE      PHE  10  -5.583 -10.825  -5.237
   61    HZ   PHE  10           HZ       PHE  10  -6.475  -8.950  -6.562
   62    H    LYS  11           H        LYS  11   0.185  -6.112  -2.297
   63    HA   LYS  11           HA       LYS  11   2.014  -7.807  -1.058
   64   1HB   LYS  11          2HB       LYS  11   4.120  -7.085  -2.263
   65   2HB   LYS  11          1HB       LYS  11   3.101  -8.210  -3.144
   66   1HG   LYS  11          2HG       LYS  11   2.166  -6.258  -4.398
   67   2HG   LYS  11          1HG       LYS  11   3.382  -5.250  -3.611
   68   1HD   LYS  11          2HD       LYS  11   3.943  -7.647  -5.358
   69   2HD   LYS  11          1HD       LYS  11   4.094  -5.961  -5.851
   70   1HE   LYS  11          2HE       LYS  11   5.824  -5.619  -4.159
   71   2HE   LYS  11          1HE       LYS  11   5.659  -7.296  -3.643
   72   1HZ   LYS  11          1HZ       LYS  11   7.042  -7.927  -5.236
   73   2HZ   LYS  11          2HZ       LYS  11   7.315  -6.304  -5.625
   74   3HZ   LYS  11          3HZ       LYS  11   6.111  -7.175  -6.432
   75    H    PHE  12           H        PHE  12   4.039  -5.417  -1.813
   76    HA   PHE  12           HA       PHE  12   2.864  -3.379  -0.066
   77   1HB   PHE  12          2HB       PHE  12   5.631  -4.581   0.226
   78   2HB   PHE  12          1HB       PHE  12   5.127  -3.088   1.007
   79    HD1  PHE  12           1HD      PHE  12   3.964  -3.122   3.034
   80    HD2  PHE  12           2HD      PHE  12   4.434  -6.725   0.819
   81    HE1  PHE  12           1HE      PHE  12   3.111  -4.408   4.950
   82    HE2  PHE  12           2HE      PHE  12   3.576  -8.015   2.728
   83    HZ   PHE  12           HZ       PHE  12   2.913  -6.857   4.798
   84    H    LYS  13           H        LYS  13   2.546  -2.708  -2.403
   85    HA   LYS  13           HA       LYS  13   4.919  -1.697  -3.715
   86   1HB   LYS  13          2HB       LYS  13   3.255  -2.749  -5.113
   87   2HB   LYS  13          1HB       LYS  13   2.011  -1.658  -4.520
   88   1HG   LYS  13          2HG       LYS  13   3.475   0.216  -5.490
   89   2HG   LYS  13          1HG       LYS  13   4.296  -1.075  -6.368
   90   1HD   LYS  13          2HD       LYS  13   2.229  -1.724  -7.434
   91   2HD   LYS  13          1HD       LYS  13   1.324  -0.560  -6.463
   92   1HE   LYS  13          2HE       LYS  13   2.684   1.255  -7.494
   93   2HE   LYS  13          1HE       LYS  13   3.410   0.048  -8.552
   94   1HZ   LYS  13          1HZ       LYS  13   1.719   0.441  -9.920
   95   2HZ   LYS  13          2HZ       LYS  13   0.886   1.365  -8.769
   96   3HZ   LYS  13          3HZ       LYS  13   0.696  -0.314  -8.803
   97    H    CYS  14           H        CYS  14   1.910  -0.325  -2.449
   98    HA   CYS  14           HA       CYS  14   2.908   2.351  -2.885
   99   1HB   CYS  14          2HB       CYS  14   0.310   1.390  -1.687
  100   2HB   CYS  14          1HB       CYS  14   0.697   3.063  -2.070
  101    H    TYR  15           H        TYR  15   3.656   3.713  -1.457
  102    HA   TYR  15           HA       TYR  15   3.241   3.480   1.366
  103   1HB   TYR  15          2HB       TYR  15   5.797   3.463   1.785
  104   2HB   TYR  15          1HB       TYR  15   5.006   1.934   1.428
  105    HD1  TYR  15           1HD      TYR  15   6.639   4.730  -0.470
  106    HD2  TYR  15           2HD      TYR  15   6.109   0.529  -0.017
  107    HE1  TYR  15           1HE      TYR  15   8.226   4.337  -2.305
  108    HE2  TYR  15           2HE      TYR  15   7.699   0.129  -1.850
  109    HH   TYR  15           HH       TYR  15   8.701   1.186  -3.682
  110    H    THR  16           H        THR  16   2.738   5.255  -0.772
  111    HA   THR  16           HA       THR  16   4.511   7.512  -0.616
  112    HB   THR  16           HB       THR  16   2.047   8.238  -1.795
  113    HG1  THR  16           1HG      THR  16   1.452   6.496  -2.968
  114   1HG2  THR  16          1HG2      THR  16   3.330   8.591  -3.688
  115   2HG2  THR  16          2HG2      THR  16   4.331   7.166  -3.403
  116   3HG2  THR  16          3HG2      THR  16   4.561   8.616  -2.424
  117    HA   PRO  17           HA       PRO  17   2.676   9.957   2.581
  118   1HB   PRO  17          2HB       PRO  17   1.636  12.174   1.237
  119   2HB   PRO  17          1HB       PRO  17   3.287  12.017   1.840
  120   1HG   PRO  17          2HG       PRO  17   2.223  11.581  -0.911
  121   2HG   PRO  17          1HG       PRO  17   3.772  12.279  -0.401
  122   1HD   PRO  17          2HD       PRO  17   3.620   9.782  -1.347
  123   2HD   PRO  17          1HD       PRO  17   4.726  10.196  -0.020
  124    H    ARG  18           H        ARG  18   0.931   9.245   3.538
  125    HA   ARG  18           HA       ARG  18  -1.183   8.689   4.052
  126   1HB   ARG  18          2HB       ARG  18  -1.581  11.092   3.652
  127   2HB   ARG  18          1HB       ARG  18  -1.923  10.747   1.969
  128   1HG   ARG  18          2HG       ARG  18  -3.900  11.121   3.549
  129   2HG   ARG  18          1HG       ARG  18  -3.969   9.737   2.461
  130   1HD   ARG  18          2HD       ARG  18  -2.881   9.403   5.230
  131   2HD   ARG  18          1HD       ARG  18  -4.625   9.467   4.976
  132    HE   ARG  18           HE       ARG  18  -3.650   7.633   3.149
  133   1HH1  ARG  18          1HH1      ARG  18  -3.736   7.936   6.641
  134   2HH1  ARG  18          2HH1      ARG  18  -3.710   6.227   6.913
  135   1HH2  ARG  18          1HH2      ARG  18  -3.621   5.392   3.490
  136   2HH2  ARG  18          2HH2      ARG  18  -3.627   4.772   5.116
  137    H    CYS  19           H        CYS  19   0.147   7.036   2.334
  138    HA   CYS  19           HA       CYS  19  -2.090   5.710   1.082
  139   1HB   CYS  19          2HB       CYS  19  -1.339   6.977  -0.810
  140   2HB   CYS  19          1HB       CYS  19   0.343   6.560  -0.492
  141    H    SER  20           H        SER  20  -1.986   3.791   2.029
  142    HA   SER  20           HA       SER  20   0.667   2.550   2.324
  143   1HB   SER  20          2HB       SER  20  -1.110   1.232   4.050
  144   2HB   SER  20          1HB       SER  20   0.188   2.336   4.491
  145    HG   SER  20           HG       SER  20  -2.500   3.059   3.868
  146    H    CYS  21           H        CYS  21   0.981   0.576   1.495
  147    HA   CYS  21           HA       CYS  21  -1.104  -0.466  -0.209
  148   1HB   CYS  21          2HB       CYS  21   1.148  -0.470  -1.090
  149   2HB   CYS  21          1HB       CYS  21   1.729  -1.428   0.264
  150    H    SER  22           H        SER  22  -2.651  -1.064   1.302
  151    HA   SER  22           HA       SER  22  -2.014  -3.170   3.190
  152   1HB   SER  22          2HB       SER  22  -4.594  -2.852   3.568
  153   2HB   SER  22          1HB       SER  22  -3.484  -1.626   4.171
  154    HG   SER  22           HG       SER  22  -4.584  -1.430   1.582
  155    H    TYR  23           H        TYR  23  -1.462  -4.724   1.644
  156    HA   TYR  23           HA       TYR  23  -2.616  -5.432  -0.647
  157   1HB   TYR  23          2HB       TYR  23  -1.655  -7.554  -0.477
  158   2HB   TYR  23          1HB       TYR  23  -0.660  -6.553   0.567
  159    HD1  TYR  23           1HD      TYR  23  -0.554  -6.961   2.935
  160    HD2  TYR  23           2HD      TYR  23  -3.200  -9.209   0.469
  161    HE1  TYR  23           1HE      TYR  23  -0.875  -8.575   4.762
  162    HE2  TYR  23           2HE      TYR  23  -3.533 -10.826   2.297
  163    HH   TYR  23           HH       TYR  23  -3.317 -10.657   4.969
  164    HA   PRO  24           HA       PRO  24  -3.266  -6.138  -1.930
  165   1HB   PRO  24          2HB       PRO  24  -5.066  -6.875  -3.729
  166   2HB   PRO  24          1HB       PRO  24  -4.317  -8.070  -2.670
  167   1HG   PRO  24          2HG       PRO  24  -7.071  -6.984  -2.625
  168   2HG   PRO  24          1HG       PRO  24  -6.464  -8.537  -2.028
  169   1HD   PRO  24          2HD       PRO  24  -6.921  -6.087  -0.548
  170   2HD   PRO  24          1HD       PRO  24  -6.423  -7.676   0.071
  171    H    VAL  25           H        VAL  25  -4.447  -3.740  -0.643
  172    HA   VAL  25           HA       VAL  25  -5.151  -2.306  -3.116
  173    HB   VAL  25           HB       VAL  25  -6.727  -1.733  -0.628
  174   1HG1  VAL  25          1HG1      VAL  25  -7.787  -1.264  -3.342
  175   2HG1  VAL  25          2HG1      VAL  25  -6.439  -0.254  -2.817
  176   3HG1  VAL  25          3HG1      VAL  25  -7.931  -0.292  -1.878
  177   1HG2  VAL  25          1HG2      VAL  25  -8.574  -3.055  -1.410
  178   2HG2  VAL  25          2HG2      VAL  25  -7.155  -4.094  -1.284
  179   3HG2  VAL  25          3HG2      VAL  25  -7.686  -3.514  -2.863
  180    H    CYS  26           H        CYS  26  -4.457  -0.225  -3.194
  181    HA   CYS  26           HA       CYS  26  -2.606   0.640  -1.147
  182   1HB   CYS  26          2HB       CYS  26  -3.366   1.719  -3.863
  183   2HB   CYS  26          1HB       CYS  26  -2.206   2.489  -2.804
  184    H    LYS  27           H        LYS  27  -3.493   1.645   0.570
  185    HA   LYS  27           HA       LYS  27  -5.236   3.925   0.096
  186   1HB   LYS  27          2HB       LYS  27  -5.920   1.496   1.727
  187   2HB   LYS  27          1HB       LYS  27  -6.573   3.063   2.155
  188   1HG   LYS  27          2HG       LYS  27  -6.933   1.694  -0.499
  189   2HG   LYS  27          1HG       LYS  27  -8.126   1.742   0.800
  190   1HD   LYS  27          2HD       LYS  27  -7.044   4.089  -0.759
  191   2HD   LYS  27          1HD       LYS  27  -8.673   3.418  -0.850
  192   1HE   LYS  27          2HE       LYS  27  -7.405   4.792   1.516
  193   2HE   LYS  27          1HE       LYS  27  -8.704   5.416   0.502
  194   1HZ   LYS  27          1HZ       LYS  27  -9.885   4.593   2.252
  195   2HZ   LYS  27          2HZ       LYS  27  -8.790   3.344   2.570
  196   3HZ   LYS  27          3HZ       LYS  27  -9.862   3.216   1.268
  Start of MODEL   12
    1   1H    SER   1          1HT       SER   1  -3.593  12.933 -10.483
    2   2H    SER   1          2HT       SER   1  -2.987  13.090  -8.911
    3   3H    SER   1          3HT       SER   1  -3.062  11.564  -9.640
    4    HA   SER   1           HA       SER   1  -1.200  11.855 -10.816
    5   1HB   SER   1          2HB       SER   1  -1.679  14.831 -10.950
    6   2HB   SER   1          1HB       SER   1  -0.776  13.813 -12.077
    7    HG   SER   1           HG       SER   1  -2.711  14.125 -13.047
    8    H    ALA   2           H        ALA   2  -0.897  11.483  -8.257
    9    HA   ALA   2           HA       ALA   2   1.472  12.900  -7.568
   10   1HB   ALA   2          1HB       ALA   2   0.677  13.871  -5.445
   11   2HB   ALA   2          2HB       ALA   2  -0.974  13.425  -5.875
   12   3HB   ALA   2          3HB       ALA   2  -0.098  14.610  -6.845
   13    H    ILE   3           H        ILE   3  -1.148  11.366  -5.700
   14    HA   ILE   3           HA       ILE   3   0.625   9.752  -4.204
   15    HB   ILE   3           HB       ILE   3  -2.354   9.421  -4.595
   16   1HG1  ILE   3          2HG1      ILE   3  -1.808  11.634  -3.710
   17   2HG1  ILE   3          1HG1      ILE   3  -2.565  10.646  -2.466
   18   1HG2  ILE   3          1HG2      ILE   3  -1.000   7.464  -3.672
   19   2HG2  ILE   3          2HG2      ILE   3  -2.382   8.014  -2.725
   20   3HG2  ILE   3          3HG2      ILE   3  -0.748   8.471  -2.246
   21   1HD1  ILE   3          1HD1      ILE   3  -0.337  10.188  -1.522
   22   2HD1  ILE   3          2HD1      ILE   3  -0.742  11.905  -1.528
   23   3HD1  ILE   3          3HD1      ILE   3   0.370  11.257  -2.733
   24    H    SER   4           H        SER   4   1.610   7.947  -4.840
   25    HA   SER   4           HA       SER   4   0.999   6.721  -7.347
   26   1HB   SER   4          2HB       SER   4   2.961   5.779  -5.264
   27   2HB   SER   4          1HB       SER   4   3.002   5.520  -7.001
   28    HG   SER   4           HG       SER   4   3.003   8.028  -6.918
   29    H    CYS   5           H        CYS   5  -1.265   6.316  -5.996
   30    HA   CYS   5           HA       CYS   5  -1.180   3.482  -5.354
   31   1HB   CYS   5          2HB       CYS   5  -2.749   5.628  -3.904
   32   2HB   CYS   5          1HB       CYS   5  -2.894   3.908  -3.630
   33    H    GLY   6           H        GLY   6  -4.185   4.596  -4.816
   34   1HA   GLY   6          2HA       GLY   6  -6.178   4.537  -5.943
   35   2HA   GLY   6          1HA       GLY   6  -5.287   5.177  -7.312
   36    H    GLU   7           H        GLU   7  -4.635   2.053  -5.823
   37    HA   GLU   7           HA       GLU   7  -6.184   0.530  -7.667
   38   1HB   GLU   7          2HB       GLU   7  -4.293  -0.521  -8.866
   39   2HB   GLU   7          1HB       GLU   7  -4.469   1.185  -9.248
   40   1HG   GLU   7          2HG       GLU   7  -2.554   1.776  -8.098
   41   2HG   GLU   7          1HG       GLU   7  -2.574   0.315  -7.112
   42    H    THR   8           H        THR   8  -5.022  -1.820  -7.696
   43    HA   THR   8           HA       THR   8  -5.066  -2.628  -4.918
   44    HB   THR   8           HB       THR   8  -4.861  -4.954  -5.934
   45    HG1  THR   8           1HG      THR   8  -5.718  -4.415  -8.359
   46   1HG2  THR   8          1HG2      THR   8  -7.146  -3.104  -6.566
   47   2HG2  THR   8          2HG2      THR   8  -7.021  -4.294  -5.271
   48   3HG2  THR   8          3HG2      THR   8  -7.211  -4.825  -6.942
   49    H    CYS   9           H        CYS   9  -3.404  -4.338  -4.224
   50    HA   CYS   9           HA       CYS   9  -0.835  -4.055  -5.493
   51   1HB   CYS   9          2HB       CYS   9   0.307  -3.273  -3.442
   52   2HB   CYS   9          1HB       CYS   9  -0.805  -2.085  -4.105
   53    H    PHE  10           H        PHE  10  -0.621  -6.187  -5.782
   54    HA   PHE  10           HA       PHE  10  -1.045  -8.070  -3.621
   55   1HB   PHE  10          2HB       PHE  10  -0.158  -8.340  -6.496
   56   2HB   PHE  10          1HB       PHE  10  -0.107  -9.694  -5.379
   57    HD1  PHE  10           1HD      PHE  10  -1.809 -11.175  -5.735
   58    HD2  PHE  10           2HD      PHE  10  -2.601  -7.014  -6.144
   59    HE1  PHE  10           1HE      PHE  10  -4.167 -11.675  -6.226
   60    HE2  PHE  10           2HE      PHE  10  -4.960  -7.506  -6.634
   61    HZ   PHE  10           HZ       PHE  10  -5.747  -9.840  -6.675
   62    H    LYS  11           H        LYS  11   0.728  -6.044  -3.165
   63    HA   LYS  11           HA       LYS  11   2.946  -7.231  -1.984
   64   1HB   LYS  11          2HB       LYS  11   3.667  -7.369  -4.438
   65   2HB   LYS  11          1HB       LYS  11   3.646  -5.612  -4.458
   66   1HG   LYS  11          2HG       LYS  11   5.353  -5.597  -2.682
   67   2HG   LYS  11          1HG       LYS  11   5.404  -7.361  -2.749
   68   1HD   LYS  11          2HD       LYS  11   6.032  -7.204  -5.143
   69   2HD   LYS  11          1HD       LYS  11   6.088  -5.448  -4.980
   70   1HE   LYS  11          2HE       LYS  11   8.322  -6.327  -4.802
   71   2HE   LYS  11          1HE       LYS  11   7.819  -5.707  -3.230
   72   1HZ   LYS  11          1HZ       LYS  11   8.781  -8.233  -3.803
   73   2HZ   LYS  11          2HZ       LYS  11   7.135  -8.444  -3.474
   74   3HZ   LYS  11          3HZ       LYS  11   8.135  -7.694  -2.334
   75    H    PHE  12           H        PHE  12   4.151  -5.427  -0.853
   76    HA   PHE  12           HA       PHE  12   2.345  -3.232  -0.378
   77   1HB   PHE  12          2HB       PHE  12   4.935  -4.084   0.897
   78   2HB   PHE  12          1HB       PHE  12   4.160  -2.559   1.307
   79    HD1  PHE  12           1HD      PHE  12   2.956  -6.069   0.795
   80    HD2  PHE  12           2HD      PHE  12   3.091  -2.645   3.320
   81    HE1  PHE  12           1HE      PHE  12   1.527  -7.222   2.431
   82    HE2  PHE  12           2HE      PHE  12   1.664  -3.795   4.960
   83    HZ   PHE  12           HZ       PHE  12   0.880  -6.087   4.517
   84    H    LYS  13           H        LYS  13   2.757  -2.749  -2.733
   85    HA   LYS  13           HA       LYS  13   5.086  -1.047  -3.133
   86   1HB   LYS  13          2HB       LYS  13   4.464  -1.073  -5.510
   87   2HB   LYS  13          1HB       LYS  13   4.595  -2.707  -4.874
   88   1HG   LYS  13          2HG       LYS  13   2.271  -3.014  -4.865
   89   2HG   LYS  13          1HG       LYS  13   1.955  -1.286  -5.020
   90   1HD   LYS  13          2HD       LYS  13   2.971  -1.367  -7.290
   91   2HD   LYS  13          1HD       LYS  13   3.107  -3.118  -7.121
   92   1HE   LYS  13          2HE       LYS  13   1.119  -2.546  -8.390
   93   2HE   LYS  13          1HE       LYS  13   0.673  -3.272  -6.848
   94   1HZ   LYS  13          1HZ       LYS  13   0.128  -0.630  -7.870
   95   2HZ   LYS  13          2HZ       LYS  13   0.718  -0.627  -6.280
   96   3HZ   LYS  13          3HZ       LYS  13  -0.673  -1.515  -6.663
   97    H    CYS  14           H        CYS  14   3.046  -0.055  -1.395
   98    HA   CYS  14           HA       CYS  14   2.460   2.395  -2.845
   99   1HB   CYS  14          2HB       CYS  14   0.331   0.700  -1.545
  100   2HB   CYS  14          1HB       CYS  14   0.109   2.416  -1.862
  101    H    TYR  15           H        TYR  15   4.383   2.474  -1.233
  102    HA   TYR  15           HA       TYR  15   3.446   3.206   1.439
  103   1HB   TYR  15          2HB       TYR  15   6.029   3.409   1.798
  104   2HB   TYR  15          1HB       TYR  15   5.285   1.817   1.715
  105    HD1  TYR  15           1HD      TYR  15   7.083   4.333  -0.368
  106    HD2  TYR  15           2HD      TYR  15   6.043   0.238   0.172
  107    HE1  TYR  15           1HE      TYR  15   8.607   3.710  -2.194
  108    HE2  TYR  15           2HE      TYR  15   7.570  -0.392  -1.649
  109    HH   TYR  15           HH       TYR  15   9.789   0.800  -2.691
  110    H    THR  16           H        THR  16   2.810   4.784  -0.814
  111    HA   THR  16           HA       THR  16   4.482   7.092  -0.987
  112    HB   THR  16           HB       THR  16   1.555   6.929  -1.719
  113    HG1  THR  16           1HG      THR  16   3.788   6.042  -3.262
  114   1HG2  THR  16          1HG2      THR  16   2.282   8.434  -3.567
  115   2HG2  THR  16          2HG2      THR  16   3.890   8.482  -2.842
  116   3HG2  THR  16          3HG2      THR  16   2.506   9.132  -1.962
  117    HA   PRO  17           HA       PRO  17   3.366   9.232   2.747
  118   1HB   PRO  17          2HB       PRO  17   3.104  11.582   0.915
  119   2HB   PRO  17          1HB       PRO  17   3.962  11.448   2.456
  120   1HG   PRO  17          2HG       PRO  17   5.298  11.393   0.156
  121   2HG   PRO  17          1HG       PRO  17   5.768  10.345   1.507
  122   1HD   PRO  17          2HD       PRO  17   4.370   9.656  -1.027
  123   2HD   PRO  17          1HD       PRO  17   5.481   8.680  -0.046
  124    H    ARG  18           H        ARG  18   1.478   9.174   3.691
  125    HA   ARG  18           HA       ARG  18  -0.689   9.439   4.231
  126   1HB   ARG  18          2HB       ARG  18  -0.327  11.726   3.260
  127   2HB   ARG  18          1HB       ARG  18  -0.953  11.114   1.743
  128   1HG   ARG  18          2HG       ARG  18  -3.112  10.697   2.759
  129   2HG   ARG  18          1HG       ARG  18  -2.486  11.176   4.338
  130   1HD   ARG  18          2HD       ARG  18  -3.790  12.964   3.286
  131   2HD   ARG  18          1HD       ARG  18  -2.109  13.430   3.534
  132    HE   ARG  18           HE       ARG  18  -1.951  13.754   1.295
  133   1HH1  ARG  18          1HH1      ARG  18  -4.537  11.454   1.835
  134   2HH1  ARG  18          2HH1      ARG  18  -4.967  11.351   0.162
  135   1HH2  ARG  18          1HH2      ARG  18  -2.522  13.627  -0.912
  136   2HH2  ARG  18          2HH2      ARG  18  -3.819  12.591  -1.404
  137    H    CYS  19           H        CYS  19   0.314   7.298   2.492
  138    HA   CYS  19           HA       CYS  19  -2.249   6.187   1.772
  139   1HB   CYS  19          2HB       CYS  19  -1.571   7.273  -0.355
  140   2HB   CYS  19          1HB       CYS  19  -0.064   6.360  -0.324
  141    H    SER  20           H        SER  20  -2.206   3.904   1.735
  142    HA   SER  20           HA       SER  20   0.369   2.637   2.250
  143   1HB   SER  20          2HB       SER  20  -1.090   1.360   4.125
  144   2HB   SER  20          1HB       SER  20  -0.034   2.728   4.460
  145    HG   SER  20           HG       SER  20  -2.554   3.445   3.619
  146    H    CYS  21           H        CYS  21   0.555   0.606   1.625
  147    HA   CYS  21           HA       CYS  21  -1.580  -0.402  -0.033
  148   1HB   CYS  21          2HB       CYS  21   0.506  -0.734  -1.057
  149   2HB   CYS  21          1HB       CYS  21   1.266  -1.315   0.419
  150    H    SER  22           H        SER  22  -3.185  -0.986   1.259
  151    HA   SER  22           HA       SER  22  -2.723  -2.791   3.490
  152   1HB   SER  22          2HB       SER  22  -4.365  -0.950   3.748
  153   2HB   SER  22          1HB       SER  22  -5.297  -1.597   2.399
  154    HG   SER  22           HG       SER  22  -5.703  -3.446   3.624
  155    H    TYR  23           H        TYR  23  -1.861  -4.410   2.154
  156    HA   TYR  23           HA       TYR  23  -2.518  -5.655  -0.038
  157   1HB   TYR  23          2HB       TYR  23  -0.859  -6.472   1.624
  158   2HB   TYR  23          1HB       TYR  23  -2.175  -7.199   2.537
  159    HD1  TYR  23           1HD      TYR  23  -1.053  -7.153  -1.035
  160    HD2  TYR  23           2HD      TYR  23  -2.363  -9.478   2.279
  161    HE1  TYR  23           1HE      TYR  23  -0.864  -9.190  -2.396
  162    HE2  TYR  23           2HE      TYR  23  -2.175 -11.522   0.925
  163    HH   TYR  23           HH       TYR  23  -0.479 -11.796  -1.771
  164    HA   PRO  24           HA       PRO  24  -3.070  -6.222  -1.409
  165   1HB   PRO  24          2HB       PRO  24  -4.569  -7.169  -3.393
  166   2HB   PRO  24          1HB       PRO  24  -3.858  -8.260  -2.198
  167   1HG   PRO  24          2HG       PRO  24  -6.675  -7.466  -2.561
  168   2HG   PRO  24          1HG       PRO  24  -6.007  -8.888  -1.743
  169   1HD   PRO  24          2HD       PRO  24  -6.859  -6.341  -0.593
  170   2HD   PRO  24          1HD       PRO  24  -6.415  -7.849   0.239
  171    H    VAL  25           H        VAL  25  -4.674  -3.909  -0.422
  172    HA   VAL  25           HA       VAL  25  -5.137  -2.658  -3.049
  173    HB   VAL  25           HB       VAL  25  -7.038  -2.060  -0.815
  174   1HG1  VAL  25          1HG1      VAL  25  -6.648  -1.181  -3.524
  175   2HG1  VAL  25          2HG1      VAL  25  -7.663  -0.500  -2.253
  176   3HG1  VAL  25          3HG1      VAL  25  -8.285  -1.791  -3.281
  177   1HG2  VAL  25          1HG2      VAL  25  -7.879  -4.135  -0.974
  178   2HG2  VAL  25          2HG2      VAL  25  -7.018  -4.468  -2.476
  179   3HG2  VAL  25          3HG2      VAL  25  -8.542  -3.583  -2.512
  180    H    CYS  26           H        CYS  26  -4.512  -0.572  -3.176
  181    HA   CYS  26           HA       CYS  26  -3.040   0.530  -0.952
  182   1HB   CYS  26          2HB       CYS  26  -3.461   1.590  -3.752
  183   2HB   CYS  26          1HB       CYS  26  -2.263   2.130  -2.594
  184    H    LYS  27           H        LYS  27  -3.795   2.110   0.357
  185    HA   LYS  27           HA       LYS  27  -5.876   3.900  -0.580
  186   1HB   LYS  27          2HB       LYS  27  -7.168   2.030   0.304
  187   2HB   LYS  27          1HB       LYS  27  -6.246   2.061   1.796
  188   1HG   LYS  27          2HG       LYS  27  -8.254   3.071   2.360
  189   2HG   LYS  27          1HG       LYS  27  -7.166   4.431   2.099
  190   1HD   LYS  27          2HD       LYS  27  -8.932   3.403  -0.100
  191   2HD   LYS  27          1HD       LYS  27  -9.539   4.542   1.100
  192   1HE   LYS  27          2HE       LYS  27  -7.257   4.954  -0.824
  193   2HE   LYS  27          1HE       LYS  27  -8.817   5.771  -0.826
  194   1HZ   LYS  27          1HZ       LYS  27  -7.521   7.313   0.216
  195   2HZ   LYS  27          2HZ       LYS  27  -6.504   6.166   0.939
  196   3HZ   LYS  27          3HZ       LYS  27  -8.054   6.446   1.567
  Start of MODEL   13
    1   1H    SER   1          1HT       SER   1   1.180  14.882   0.705
    2   2H    SER   1          2HT       SER   1   2.506  13.920   1.131
    3   3H    SER   1          3HT       SER   1   1.607  14.701   2.333
    4    HA   SER   1           HA       SER   1   1.266  12.157   1.645
    5   1HB   SER   1          2HB       SER   1  -1.059  13.847   2.521
    6   2HB   SER   1          1HB       SER   1  -0.506  12.295   3.158
    7    HG   SER   1           HG       SER   1  -0.010  14.124   4.524
    8    H    ALA   2           H        ALA   2   1.399  12.970  -0.909
    9    HA   ALA   2           HA       ALA   2  -1.110  13.476  -2.135
   10   1HB   ALA   2          1HB       ALA   2   0.024  13.165  -4.224
   11   2HB   ALA   2          2HB       ALA   2   1.358  12.327  -3.431
   12   3HB   ALA   2          3HB       ALA   2   1.101  14.047  -3.138
   13    H    ILE   3           H        ILE   3  -2.674  12.112  -2.637
   14    HA   ILE   3           HA       ILE   3  -2.443   9.337  -1.987
   15    HB   ILE   3           HB       ILE   3  -4.818  10.628  -3.314
   16   1HG1  ILE   3          2HG1      ILE   3  -4.250  10.550  -0.342
   17   2HG1  ILE   3          1HG1      ILE   3  -4.044  11.981  -1.346
   18   1HG2  ILE   3          1HG2      ILE   3  -6.076   8.922  -2.119
   19   2HG2  ILE   3          2HG2      ILE   3  -4.598   8.349  -1.344
   20   3HG2  ILE   3          3HG2      ILE   3  -4.805   8.173  -3.088
   21   1HD1  ILE   3          1HD1      ILE   3  -6.656  10.528  -1.023
   22   2HD1  ILE   3          2HD1      ILE   3  -6.380  12.095  -1.784
   23   3HD1  ILE   3          3HD1      ILE   3  -6.161  11.910  -0.045
   24    H    SER   4           H        SER   4  -0.641   9.464  -3.850
   25    HA   SER   4           HA       SER   4  -1.652   9.171  -6.517
   26   1HB   SER   4          2HB       SER   4   1.080   8.611  -5.348
   27   2HB   SER   4          1HB       SER   4   0.688   8.718  -7.056
   28    HG   SER   4           HG       SER   4   0.598  10.833  -6.928
   29    H    CYS   5           H        CYS   5  -2.928   7.379  -4.858
   30    HA   CYS   5           HA       CYS   5  -1.845   4.797  -5.715
   31   1HB   CYS   5          2HB       CYS   5  -3.084   5.670  -3.135
   32   2HB   CYS   5          1HB       CYS   5  -3.311   4.013  -3.670
   33    H    GLY   6           H        GLY   6  -4.845   4.621  -4.166
   34   1HA   GLY   6          2HA       GLY   6  -6.989   4.264  -4.902
   35   2HA   GLY   6          1HA       GLY   6  -6.595   5.269  -6.289
   36    H    GLU   7           H        GLU   7  -5.047   2.247  -5.321
   37    HA   GLU   7           HA       GLU   7  -6.367   0.776  -7.433
   38   1HB   GLU   7          2HB       GLU   7  -4.287   0.134  -8.553
   39   2HB   GLU   7          1HB       GLU   7  -4.529   1.876  -8.631
   40   1HG   GLU   7          2HG       GLU   7  -2.929   2.229  -6.888
   41   2HG   GLU   7          1HG       GLU   7  -2.770   0.497  -6.619
   42    H    THR   8           H        THR   8  -5.456  -1.485  -7.539
   43    HA   THR   8           HA       THR   8  -5.354  -2.544  -4.854
   44    HB   THR   8           HB       THR   8  -5.301  -4.772  -6.147
   45    HG1  THR   8           1HG      THR   8  -4.636  -3.556  -8.148
   46   1HG2  THR   8          1HG2      THR   8  -7.492  -4.748  -5.729
   47   2HG2  THR   8          2HG2      THR   8  -7.774  -3.656  -7.085
   48   3HG2  THR   8          3HG2      THR   8  -7.394  -3.003  -5.490
   49    H    CYS   9           H        CYS   9  -3.698  -3.886  -4.041
   50    HA   CYS   9           HA       CYS   9  -1.227  -4.118  -5.530
   51   1HB   CYS   9          2HB       CYS   9  -0.903  -1.946  -4.619
   52   2HB   CYS   9          1HB       CYS   9  -1.517  -2.431  -3.046
   53    H    PHE  10           H        PHE  10  -1.284  -6.288  -5.361
   54    HA   PHE  10           HA       PHE  10  -1.786  -7.616  -2.859
   55   1HB   PHE  10          2HB       PHE  10  -1.092  -8.610  -5.622
   56   2HB   PHE  10          1HB       PHE  10  -1.283  -9.679  -4.244
   57    HD1  PHE  10           1HD      PHE  10  -3.289 -10.765  -4.134
   58    HD2  PHE  10           2HD      PHE  10  -3.176  -6.840  -5.775
   59    HE1  PHE  10           1HE      PHE  10  -5.708 -10.876  -4.560
   60    HE2  PHE  10           2HE      PHE  10  -5.595  -6.943  -6.200
   61    HZ   PHE  10           HZ       PHE  10  -6.865  -8.964  -5.593
   62    H    LYS  11           H        LYS  11   0.268  -6.129  -2.218
   63    HA   LYS  11           HA       LYS  11   2.257  -7.869  -1.352
   64   1HB   LYS  11          2HB       LYS  11   2.743  -7.760  -3.897
   65   2HB   LYS  11          1HB       LYS  11   3.365  -6.151  -3.557
   66   1HG   LYS  11          2HG       LYS  11   5.120  -6.972  -2.266
   67   2HG   LYS  11          1HG       LYS  11   4.345  -8.540  -2.042
   68   1HD   LYS  11          2HD       LYS  11   5.135  -7.601  -4.775
   69   2HD   LYS  11          1HD       LYS  11   6.322  -8.340  -3.701
   70   1HE   LYS  11          2HE       LYS  11   5.385 -10.019  -5.172
   71   2HE   LYS  11          1HE       LYS  11   4.886 -10.332  -3.513
   72   1HZ   LYS  11          1HZ       LYS  11   3.077 -10.612  -5.127
   73   2HZ   LYS  11          2HZ       LYS  11   3.206  -8.980  -5.558
   74   3HZ   LYS  11          3HZ       LYS  11   2.723  -9.407  -3.990
   75    H    PHE  12           H        PHE  12   3.993  -5.235  -2.377
   76    HA   PHE  12           HA       PHE  12   3.059  -3.344  -0.402
   77   1HB   PHE  12          2HB       PHE  12   4.569  -5.006   0.808
   78   2HB   PHE  12          1HB       PHE  12   5.889  -4.373  -0.172
   79    HD1  PHE  12           1HD      PHE  12   7.255  -3.262   1.342
   80    HD2  PHE  12           2HD      PHE  12   3.058  -2.554   1.397
   81    HE1  PHE  12           1HE      PHE  12   7.587  -1.442   2.964
   82    HE2  PHE  12           2HE      PHE  12   3.383  -0.734   3.018
   83    HZ   PHE  12           HZ       PHE  12   5.649  -0.175   3.806
   84    H    LYS  13           H        LYS  13   2.809  -2.564  -2.758
   85    HA   LYS  13           HA       LYS  13   5.275  -1.585  -3.917
   86   1HB   LYS  13          2HB       LYS  13   3.605  -2.519  -5.422
   87   2HB   LYS  13          1HB       LYS  13   2.419  -1.339  -4.870
   88   1HG   LYS  13          2HG       LYS  13   3.608   0.453  -5.880
   89   2HG   LYS  13          1HG       LYS  13   5.000  -0.577  -6.219
   90   1HD   LYS  13          2HD       LYS  13   3.681  -0.184  -8.237
   91   2HD   LYS  13          1HD       LYS  13   3.655  -1.890  -7.786
   92   1HE   LYS  13          2HE       LYS  13   1.445  -1.220  -8.447
   93   2HE   LYS  13          1HE       LYS  13   1.452  -1.533  -6.716
   94   1HZ   LYS  13          1HZ       LYS  13   1.911   1.216  -7.621
   95   2HZ   LYS  13          2HZ       LYS  13   1.130   0.655  -6.229
   96   3HZ   LYS  13          3HZ       LYS  13   0.334   0.594  -7.734
   97    H    CYS  14           H        CYS  14   2.278  -0.192  -2.666
   98    HA   CYS  14           HA       CYS  14   3.396   2.478  -2.861
   99   1HB   CYS  14          2HB       CYS  14   0.755   1.799  -1.599
  100   2HB   CYS  14          1HB       CYS  14   1.232   3.268  -2.442
  101    H    TYR  15           H        TYR  15   4.045   3.724  -1.174
  102    HA   TYR  15           HA       TYR  15   3.534   2.947   1.555
  103   1HB   TYR  15          2HB       TYR  15   6.129   3.155   1.982
  104   2HB   TYR  15          1HB       TYR  15   5.418   1.617   1.517
  105    HD1  TYR  15           1HD      TYR  15   6.450   0.420  -0.150
  106    HD2  TYR  15           2HD      TYR  15   6.911   4.652  -0.099
  107    HE1  TYR  15           1HE      TYR  15   7.993   0.270  -2.058
  108    HE2  TYR  15           2HE      TYR  15   8.452   4.512  -2.011
  109    HH   TYR  15           HH       TYR  15   8.896   1.589  -3.799
  110    H    THR  16           H        THR  16   3.061   5.116  -0.329
  111    HA   THR  16           HA       THR  16   4.542   7.395   0.710
  112    HB   THR  16           HB       THR  16   2.141   7.679  -1.068
  113    HG1  THR  16           1HG      THR  16   3.340   6.987  -2.866
  114   1HG2  THR  16          1HG2      THR  16   3.829   9.210  -2.255
  115   2HG2  THR  16          2HG2      THR  16   4.842   8.981  -0.830
  116   3HG2  THR  16          3HG2      THR  16   3.245   9.714  -0.667
  117    HA   PRO  17           HA       PRO  17   1.584   8.243   3.950
  118   1HB   PRO  17          2HB       PRO  17   1.344  11.007   3.663
  119   2HB   PRO  17          1HB       PRO  17   2.568  10.180   4.629
  120   1HG   PRO  17          2HG       PRO  17   2.771  11.312   1.879
  121   2HG   PRO  17          1HG       PRO  17   3.980  11.282   3.174
  122   1HD   PRO  17          2HD       PRO  17   4.117   9.609   1.079
  123   2HD   PRO  17          1HD       PRO  17   4.606   9.100   2.709
  124    H    ARG  18           H        ARG  18  -0.446   7.640   3.651
  125    HA   ARG  18           HA       ARG  18  -2.628   7.579   3.079
  126   1HB   ARG  18          2HB       ARG  18  -2.639  10.034   3.374
  127   2HB   ARG  18          1HB       ARG  18  -2.134  10.224   1.705
  128   1HG   ARG  18          2HG       ARG  18  -4.603  10.559   2.234
  129   2HG   ARG  18          1HG       ARG  18  -4.204   9.509   0.873
  130   1HD   ARG  18          2HD       ARG  18  -5.917   8.425   2.107
  131   2HD   ARG  18          1HD       ARG  18  -4.420   7.557   2.435
  132    HE   ARG  18           HE       ARG  18  -5.214   9.605   4.346
  133   1HH1  ARG  18          1HH1      ARG  18  -4.935   6.199   3.534
  134   2HH1  ARG  18          2HH1      ARG  18  -5.303   5.666   5.149
  135   1HH2  ARG  18          1HH2      ARG  18  -5.745   8.886   6.469
  136   2HH2  ARG  18          2HH2      ARG  18  -5.775   7.187   6.811
  137    H    CYS  19           H        CYS  19  -0.390   6.599   1.563
  138    HA   CYS  19           HA       CYS  19  -1.802   5.692  -0.786
  139   1HB   CYS  19          2HB       CYS  19  -0.564   7.781  -1.496
  140   2HB   CYS  19          1HB       CYS  19   0.932   6.982  -1.040
  141    H    SER  20           H        SER  20  -1.442   4.264   1.349
  142    HA   SER  20           HA       SER  20   1.097   2.820   1.188
  143   1HB   SER  20          2HB       SER  20  -0.641   1.889   3.276
  144   2HB   SER  20          1HB       SER  20   0.917   2.709   3.415
  145    HG   SER  20           HG       SER  20  -1.637   3.940   3.107
  146    H    CYS  21           H        CYS  21   1.266   0.717   0.642
  147    HA   CYS  21           HA       CYS  21  -0.958  -0.503  -0.706
  148   1HB   CYS  21          2HB       CYS  21   1.231  -0.846  -1.653
  149   2HB   CYS  21          1HB       CYS  21   1.854  -1.485  -0.139
  150    H    SER  22           H        SER  22  -2.465  -0.695   0.962
  151    HA   SER  22           HA       SER  22  -1.868  -2.382   3.225
  152   1HB   SER  22          2HB       SER  22  -4.371  -0.901   2.366
  153   2HB   SER  22          1HB       SER  22  -4.173  -1.767   3.882
  154    HG   SER  22           HG       SER  22  -3.180   0.689   3.104
  155    H    TYR  23           H        TYR  23  -1.404  -4.178   1.890
  156    HA   TYR  23           HA       TYR  23  -2.518  -5.499  -0.043
  157   1HB   TYR  23          2HB       TYR  23  -0.756  -6.427   1.387
  158   2HB   TYR  23          1HB       TYR  23  -1.948  -6.793   2.627
  159    HD1  TYR  23           1HD      TYR  23  -1.545  -7.418  -1.043
  160    HD2  TYR  23           2HD      TYR  23  -2.538  -9.010   2.773
  161    HE1  TYR  23           1HE      TYR  23  -1.921  -9.620  -2.066
  162    HE2  TYR  23           2HE      TYR  23  -2.915 -11.217   1.760
  163    HH   TYR  23           HH       TYR  23  -2.808 -12.434  -0.099
  164    HA   PRO  24           HA       PRO  24  -3.343  -6.067  -1.281
  165   1HB   PRO  24          2HB       PRO  24  -5.227  -6.870  -2.966
  166   2HB   PRO  24          1HB       PRO  24  -4.548  -7.994  -1.781
  167   1HG   PRO  24          2HG       PRO  24  -7.211  -6.698  -1.834
  168   2HG   PRO  24          1HG       PRO  24  -6.717  -8.217  -1.070
  169   1HD   PRO  24          2HD       PRO  24  -6.957  -5.587   0.129
  170   2HD   PRO  24          1HD       PRO  24  -6.574  -7.133   0.919
  171    H    VAL  25           H        VAL  25  -4.562  -3.496  -0.215
  172    HA   VAL  25           HA       VAL  25  -5.083  -2.292  -2.855
  173    HB   VAL  25           HB       VAL  25  -6.747  -1.454  -0.507
  174   1HG1  VAL  25          1HG1      VAL  25  -6.518  -0.704  -3.309
  175   2HG1  VAL  25          2HG1      VAL  25  -7.163   0.196  -1.937
  176   3HG1  VAL  25          3HG1      VAL  25  -8.178  -0.976  -2.778
  177   1HG2  VAL  25          1HG2      VAL  25  -7.876  -3.237  -2.625
  178   2HG2  VAL  25          2HG2      VAL  25  -8.490  -2.896  -1.007
  179   3HG2  VAL  25          3HG2      VAL  25  -7.077  -3.931  -1.214
  180    H    CYS  26           H        CYS  26  -4.278  -0.272  -3.110
  181    HA   CYS  26           HA       CYS  26  -2.584   0.760  -0.991
  182   1HB   CYS  26          2HB       CYS  26  -2.950   1.403  -3.909
  183   2HB   CYS  26          1HB       CYS  26  -1.987   2.413  -2.854
  184    H    LYS  27           H        LYS  27  -3.467   2.099   0.469
  185    HA   LYS  27           HA       LYS  27  -5.090   4.335  -0.418
  186   1HB   LYS  27          2HB       LYS  27  -6.677   2.430  -0.030
  187   2HB   LYS  27          1HB       LYS  27  -6.154   2.391   1.646
  188   1HG   LYS  27          2HG       LYS  27  -8.268   3.552   1.412
  189   2HG   LYS  27          1HG       LYS  27  -7.008   4.652   1.974
  190   1HD   LYS  27          2HD       LYS  27  -6.729   5.454  -0.349
  191   2HD   LYS  27          1HD       LYS  27  -8.061   4.408  -0.845
  192   1HE   LYS  27          2HE       LYS  27  -8.207   6.679   1.133
  193   2HE   LYS  27          1HE       LYS  27  -8.841   6.687  -0.511
  194   1HZ   LYS  27          1HZ       LYS  27  -9.995   5.617   1.878
  195   2HZ   LYS  27          2HZ       LYS  27  -9.968   4.483   0.627
  196   3HZ   LYS  27          3HZ       LYS  27 -10.729   5.977   0.396
  Start of MODEL   14
    1   1H    SER   1          1HT       SER   1   4.954  13.439  -4.326
    2   2H    SER   1          2HT       SER   1   4.417  13.440  -2.720
    3   3H    SER   1          3HT       SER   1   4.206  14.814  -3.683
    4    HA   SER   1           HA       SER   1   2.387  14.030  -4.678
    5   1HB   SER   1          2HB       SER   1   3.465  11.215  -4.424
    6   2HB   SER   1          1HB       SER   1   2.259  11.813  -5.568
    7    HG   SER   1           HG       SER   1   4.066  11.825  -6.752
    8    H    ALA   2           H        ALA   2   0.391  13.492  -3.812
    9    HA   ALA   2           HA       ALA   2   0.389  12.857  -0.981
   10   1HB   ALA   2          1HB       ALA   2  -0.979  14.718  -1.888
   11   2HB   ALA   2          2HB       ALA   2  -1.931  13.518  -1.013
   12   3HB   ALA   2          3HB       ALA   2  -1.940  13.534  -2.777
   13    H    ILE   3           H        ILE   3  -2.502  11.807  -1.680
   14    HA   ILE   3           HA       ILE   3  -1.844   9.048  -1.451
   15    HB   ILE   3           HB       ILE   3  -4.598  10.072  -2.089
   16   1HG1  ILE   3          2HG1      ILE   3  -3.293  10.039   0.644
   17   2HG1  ILE   3          1HG1      ILE   3  -3.632  11.490  -0.291
   18   1HG2  ILE   3          1HG2      ILE   3  -3.520   7.736  -0.517
   19   2HG2  ILE   3          2HG2      ILE   3  -4.409   7.688  -2.039
   20   3HG2  ILE   3          3HG2      ILE   3  -5.223   8.189  -0.557
   21   1HD1  ILE   3          1HD1      ILE   3  -5.268  10.358   1.594
   22   2HD1  ILE   3          2HD1      ILE   3  -5.977   9.815   0.072
   23   3HD1  ILE   3          3HD1      ILE   3  -5.752  11.538   0.375
   24    H    SER   4           H        SER   4  -0.581   9.560  -3.650
   25    HA   SER   4           HA       SER   4  -2.112   9.366  -6.046
   26   1HB   SER   4          2HB       SER   4   0.846   8.973  -5.555
   27   2HB   SER   4          1HB       SER   4   0.075   9.239  -7.112
   28    HG   SER   4           HG       SER   4  -0.704  11.266  -6.173
   29    H    CYS   5           H        CYS   5  -3.112   7.351  -4.718
   30    HA   CYS   5           HA       CYS   5  -1.870   4.954  -5.849
   31   1HB   CYS   5          2HB       CYS   5  -3.343   5.262  -3.224
   32   2HB   CYS   5          1HB       CYS   5  -2.755   3.750  -3.885
   33    H    GLY   6           H        GLY   6  -4.697   4.342  -4.160
   34   1HA   GLY   6          2HA       GLY   6  -6.908   4.061  -4.740
   35   2HA   GLY   6          1HA       GLY   6  -6.621   5.094  -6.130
   36    H    GLU   7           H        GLU   7  -5.048   2.032  -5.295
   37    HA   GLU   7           HA       GLU   7  -6.536   0.570  -7.272
   38   1HB   GLU   7          2HB       GLU   7  -4.615  -0.043  -8.659
   39   2HB   GLU   7          1HB       GLU   7  -4.926   1.685  -8.726
   40   1HG   GLU   7          2HG       GLU   7  -3.068   2.152  -7.313
   41   2HG   GLU   7          1HG       GLU   7  -2.839   0.440  -6.956
   42    H    THR   8           H        THR   8  -5.239  -1.644  -7.593
   43    HA   THR   8           HA       THR   8  -5.123  -2.781  -4.946
   44    HB   THR   8           HB       THR   8  -4.713  -4.929  -6.266
   45    HG1  THR   8           1HG      THR   8  -4.112  -3.401  -8.184
   46   1HG2  THR   8          1HG2      THR   8  -7.204  -4.036  -7.416
   47   2HG2  THR   8          2HG2      THR   8  -7.046  -3.470  -5.753
   48   3HG2  THR   8          3HG2      THR   8  -6.925  -5.192  -6.113
   49    H    CYS   9           H        CYS   9  -3.355  -4.157  -4.205
   50    HA   CYS   9           HA       CYS   9  -0.804  -3.784  -5.510
   51   1HB   CYS   9          2HB       CYS   9   0.328  -3.040  -3.453
   52   2HB   CYS   9          1HB       CYS   9  -0.851  -1.868  -4.018
   53    H    PHE  10           H        PHE  10  -0.451  -5.835  -5.863
   54    HA   PHE  10           HA       PHE  10  -1.072  -7.942  -4.055
   55   1HB   PHE  10          2HB       PHE  10   0.532  -7.784  -6.600
   56   2HB   PHE  10          1HB       PHE  10   0.447  -9.265  -5.661
   57    HD1  PHE  10           1HD      PHE  10  -2.063  -6.697  -6.708
   58    HD2  PHE  10           2HD      PHE  10  -0.941 -10.802  -6.628
   59    HE1  PHE  10           1HE      PHE  10  -4.173  -7.291  -7.823
   60    HE2  PHE  10           2HE      PHE  10  -3.049 -11.402  -7.745
   61    HZ   PHE  10           HZ       PHE  10  -4.667  -9.646  -8.344
   62    H    LYS  11           H        LYS  11   1.333  -5.662  -4.198
   63    HA   LYS  11           HA       LYS  11   2.961  -7.079  -2.223
   64   1HB   LYS  11          2HB       LYS  11   4.061  -5.435  -4.526
   65   2HB   LYS  11          1HB       LYS  11   5.015  -6.084  -3.199
   66   1HG   LYS  11          2HG       LYS  11   3.555  -7.644  -5.320
   67   2HG   LYS  11          1HG       LYS  11   5.301  -7.493  -5.109
   68   1HD   LYS  11          2HD       LYS  11   5.306  -8.824  -3.190
   69   2HD   LYS  11          1HD       LYS  11   3.574  -8.611  -2.929
   70   1HE   LYS  11          2HE       LYS  11   3.329  -9.836  -5.196
   71   2HE   LYS  11          1HE       LYS  11   4.988 -10.359  -4.906
   72   1HZ   LYS  11          1HZ       LYS  11   2.670 -10.820  -3.103
   73   2HZ   LYS  11          2HZ       LYS  11   4.263 -11.294  -2.783
   74   3HZ   LYS  11          3HZ       LYS  11   3.422 -11.986  -4.077
   75    H    PHE  12           H        PHE  12   4.034  -5.566  -0.754
   76    HA   PHE  12           HA       PHE  12   2.364  -3.272  -0.254
   77   1HB   PHE  12          2HB       PHE  12   4.701  -4.445   1.258
   78   2HB   PHE  12          1HB       PHE  12   3.823  -3.017   1.787
   79    HD1  PHE  12           1HD      PHE  12   2.302  -3.364   3.443
   80    HD2  PHE  12           2HD      PHE  12   2.990  -6.481   0.629
   81    HE1  PHE  12           1HE      PHE  12   0.700  -4.793   4.642
   82    HE2  PHE  12           2HE      PHE  12   1.385  -7.915   1.820
   83    HZ   PHE  12           HZ       PHE  12   0.239  -7.072   3.829
   84    H    LYS  13           H        LYS  13   3.281  -2.548  -2.468
   85    HA   LYS  13           HA       LYS  13   5.690  -0.974  -1.996
   86   1HB   LYS  13          2HB       LYS  13   5.763  -2.476  -3.944
   87   2HB   LYS  13          1HB       LYS  13   4.369  -1.651  -4.627
   88   1HG   LYS  13          2HG       LYS  13   5.584   0.255  -5.137
   89   2HG   LYS  13          1HG       LYS  13   6.854  -0.122  -3.972
   90   1HD   LYS  13          2HD       LYS  13   6.322  -1.736  -6.462
   91   2HD   LYS  13          1HD       LYS  13   7.506  -0.430  -6.369
   92   1HE   LYS  13          2HE       LYS  13   7.493  -2.939  -4.691
   93   2HE   LYS  13          1HE       LYS  13   8.560  -2.614  -6.058
   94   1HZ   LYS  13          1HZ       LYS  13   9.893  -1.363  -4.800
   95   2HZ   LYS  13          2HZ       LYS  13   9.125  -2.066  -3.470
   96   3HZ   LYS  13          3HZ       LYS  13   8.615  -0.556  -4.038
   97    H    CYS  14           H        CYS  14   2.440  -0.577  -1.840
   98    HA   CYS  14           HA       CYS  14   2.401   2.113  -2.938
   99   1HB   CYS  14          2HB       CYS  14   0.307   0.358  -1.688
  100   2HB   CYS  14          1HB       CYS  14   0.026   2.083  -1.900
  101    H    TYR  15           H        TYR  15   4.281   2.292  -1.274
  102    HA   TYR  15           HA       TYR  15   3.278   3.115   1.348
  103   1HB   TYR  15          2HB       TYR  15   5.868   3.396   1.710
  104   2HB   TYR  15          1HB       TYR  15   5.136   1.797   1.741
  105    HD1  TYR  15           1HD      TYR  15   6.142   0.120   0.514
  106    HD2  TYR  15           2HD      TYR  15   6.700   4.162  -0.711
  107    HE1  TYR  15           1HE      TYR  15   7.699  -0.626  -1.239
  108    HE2  TYR  15           2HE      TYR  15   8.247   3.420  -2.472
  109    HH   TYR  15           HH       TYR  15   9.577   1.634  -3.119
  110    H    THR  16           H        THR  16   2.670   4.587  -0.983
  111    HA   THR  16           HA       THR  16   4.268   6.893  -1.323
  112    HB   THR  16           HB       THR  16   1.296   6.869  -1.777
  113    HG1  THR  16           1HG      THR  16   1.537   5.536  -3.536
  114   1HG2  THR  16          1HG2      THR  16   1.942   8.027  -3.860
  115   2HG2  THR  16          2HG2      THR  16   3.637   7.894  -3.391
  116   3HG2  THR  16          3HG2      THR  16   2.527   8.866  -2.423
  117    HA   PRO  17           HA       PRO  17   3.410   9.232   2.367
  118   1HB   PRO  17          2HB       PRO  17   2.959  11.502   0.478
  119   2HB   PRO  17          1HB       PRO  17   3.970  11.429   1.927
  120   1HG   PRO  17          2HG       PRO  17   5.065  11.306  -0.495
  121   2HG   PRO  17          1HG       PRO  17   5.684  10.313   0.837
  122   1HD   PRO  17          2HD       PRO  17   4.024   9.521  -1.507
  123   2HD   PRO  17          1HD       PRO  17   5.266   8.598  -0.637
  124    H    ARG  18           H        ARG  18   1.570   9.080   3.418
  125    HA   ARG  18           HA       ARG  18  -0.575   9.311   4.082
  126   1HB   ARG  18          2HB       ARG  18  -0.317  11.607   3.075
  127   2HB   ARG  18          1HB       ARG  18  -1.017  10.964   1.603
  128   1HG   ARG  18          2HG       ARG  18  -2.705  12.132   2.851
  129   2HG   ARG  18          1HG       ARG  18  -3.069  10.406   2.866
  130   1HD   ARG  18          2HD       ARG  18  -2.115  10.209   5.097
  131   2HD   ARG  18          1HD       ARG  18  -1.687  11.918   5.080
  132    HE   ARG  18           HE       ARG  18  -4.199  10.807   5.758
  133   1HH1  ARG  18          1HH1      ARG  18  -2.773  13.578   4.157
  134   2HH1  ARG  18          2HH1      ARG  18  -4.132  14.611   4.451
  135   1HH2  ARG  18          1HH2      ARG  18  -5.996  12.172   6.151
  136   2HH2  ARG  18          2HH2      ARG  18  -5.968  13.809   5.586
  137    H    CYS  19           H        CYS  19   0.374   7.184   2.363
  138    HA   CYS  19           HA       CYS  19  -2.188   6.063   1.616
  139   1HB   CYS  19          2HB       CYS  19  -1.575   6.992  -0.516
  140   2HB   CYS  19          1HB       CYS  19   0.079   6.414  -0.359
  141    H    SER  20           H        SER  20  -2.210   3.830   1.790
  142    HA   SER  20           HA       SER  20   0.337   2.528   2.421
  143   1HB   SER  20          2HB       SER  20  -1.369   1.303   4.171
  144   2HB   SER  20          1HB       SER  20  -0.226   2.576   4.589
  145    HG   SER  20           HG       SER  20  -2.690   3.394   3.571
  146    H    CYS  21           H        CYS  21   0.554   0.494   1.783
  147    HA   CYS  21           HA       CYS  21  -1.468  -0.508  -0.016
  148   1HB   CYS  21          2HB       CYS  21   0.757  -0.821  -0.819
  149   2HB   CYS  21          1HB       CYS  21   1.292  -1.545   0.693
  150    H    SER  22           H        SER  22  -3.175  -1.019   1.234
  151    HA   SER  22           HA       SER  22  -2.900  -2.833   3.465
  152   1HB   SER  22          2HB       SER  22  -5.363  -1.607   2.192
  153   2HB   SER  22          1HB       SER  22  -5.281  -2.417   3.746
  154    HG   SER  22           HG       SER  22  -4.100   0.043   3.013
  155    H    TYR  23           H        TYR  23  -1.984  -4.440   2.074
  156    HA   TYR  23           HA       TYR  23  -2.604  -5.676  -0.121
  157   1HB   TYR  23          2HB       TYR  23  -1.031  -6.500   1.654
  158   2HB   TYR  23          1HB       TYR  23  -2.405  -7.280   2.428
  159    HD1  TYR  23           1HD      TYR  23  -1.310  -7.048  -1.139
  160    HD2  TYR  23           2HD      TYR  23  -2.230  -9.569   2.161
  161    HE1  TYR  23           1HE      TYR  23  -0.964  -9.022  -2.558
  162    HE2  TYR  23           2HE      TYR  23  -1.886 -11.552   0.748
  163    HH   TYR  23           HH       TYR  23  -1.986 -12.076  -1.752
  164    HA   PRO  24           HA       PRO  24  -3.146  -6.148  -1.516
  165   1HB   PRO  24          2HB       PRO  24  -4.604  -7.019  -3.561
  166   2HB   PRO  24          1HB       PRO  24  -3.938  -8.155  -2.381
  167   1HG   PRO  24          2HG       PRO  24  -6.737  -7.305  -2.787
  168   2HG   PRO  24          1HG       PRO  24  -6.111  -8.766  -2.007
  169   1HD   PRO  24          2HD       PRO  24  -6.952  -6.253  -0.782
  170   2HD   PRO  24          1HD       PRO  24  -6.544  -7.795   0.002
  171    H    VAL  25           H        VAL  25  -4.732  -3.853  -0.488
  172    HA   VAL  25           HA       VAL  25  -5.180  -2.525  -3.081
  173    HB   VAL  25           HB       VAL  25  -7.052  -1.949  -0.821
  174   1HG1  VAL  25          1HG1      VAL  25  -7.715  -0.375  -2.222
  175   2HG1  VAL  25          2HG1      VAL  25  -8.300  -1.642  -3.298
  176   3HG1  VAL  25          3HG1      VAL  25  -6.670  -1.001  -3.496
  177   1HG2  VAL  25          1HG2      VAL  25  -8.464  -3.658  -1.239
  178   2HG2  VAL  25          2HG2      VAL  25  -7.008  -4.452  -1.840
  179   3HG2  VAL  25          3HG2      VAL  25  -8.110  -3.661  -2.968
  180    H    CYS  26           H        CYS  26  -4.504  -0.471  -3.178
  181    HA   CYS  26           HA       CYS  26  -3.009   0.597  -0.950
  182   1HB   CYS  26          2HB       CYS  26  -3.431   1.817  -3.677
  183   2HB   CYS  26          1HB       CYS  26  -2.118   2.103  -2.555
  184    H    LYS  27           H        LYS  27  -3.822   2.076   0.422
  185    HA   LYS  27           HA       LYS  27  -5.780   4.000  -0.508
  186   1HB   LYS  27          2HB       LYS  27  -7.247   2.210   0.177
  187   2HB   LYS  27          1HB       LYS  27  -6.371   1.999   1.685
  188   1HG   LYS  27          2HG       LYS  27  -7.572   4.658   1.180
  189   2HG   LYS  27          1HG       LYS  27  -8.670   3.322   1.527
  190   1HD   LYS  27          2HD       LYS  27  -7.894   3.062   3.670
  191   2HD   LYS  27          1HD       LYS  27  -6.289   3.682   3.278
  192   1HE   LYS  27          2HE       LYS  27  -8.802   5.340   3.470
  193   2HE   LYS  27          1HE       LYS  27  -7.568   5.212   4.724
  194   1HZ   LYS  27          1HZ       LYS  27  -6.182   5.873   2.448
  195   2HZ   LYS  27          2HZ       LYS  27  -6.580   6.915   3.724
  196   3HZ   LYS  27          3HZ       LYS  27  -7.585   6.821   2.370
  Start of MODEL   15
    1   1H    SER   1          1HT       SER   1  -5.067   8.131   0.214
    2   2H    SER   1          2HT       SER   1  -3.570   8.505   0.902
    3   3H    SER   1          3HT       SER   1  -3.658   7.965  -0.700
    4    HA   SER   1           HA       SER   1  -5.310  10.121  -0.672
    5   1HB   SER   1          2HB       SER   1  -2.800  10.693   0.925
    6   2HB   SER   1          1HB       SER   1  -3.964  11.898   0.376
    7    HG   SER   1           HG       SER   1  -4.924  11.497   2.198
    8    H    ALA   2           H        ALA   2  -1.891   9.163  -0.941
    9    HA   ALA   2           HA       ALA   2  -1.222  10.915  -3.037
   10   1HB   ALA   2          1HB       ALA   2   0.569   9.962  -1.862
   11   2HB   ALA   2          2HB       ALA   2   0.627   9.217  -3.460
   12   3HB   ALA   2          3HB       ALA   2  -0.040   8.323  -2.095
   13    H    ILE   3           H        ILE   3  -0.564  10.151  -5.253
   14    HA   ILE   3           HA       ILE   3  -2.758   9.325  -6.719
   15    HB   ILE   3           HB       ILE   3   0.144   9.106  -7.531
   16   1HG1  ILE   3          2HG1      ILE   3  -0.455  11.378  -6.831
   17   2HG1  ILE   3          1HG1      ILE   3  -0.193  11.309  -8.570
   18   1HG2  ILE   3          1HG2      ILE   3  -1.329   7.806  -8.982
   19   2HG2  ILE   3          2HG2      ILE   3  -0.678   9.212  -9.827
   20   3HG2  ILE   3          3HG2      ILE   3  -2.340   9.229  -9.238
   21   1HD1  ILE   3          1HD1      ILE   3  -2.080  12.588  -8.459
   22   2HD1  ILE   3          2HD1      ILE   3  -2.707  11.741  -7.045
   23   3HD1  ILE   3          3HD1      ILE   3  -2.790  10.983  -8.635
   24    H    SER   4           H        SER   4   0.025   7.397  -5.634
   25    HA   SER   4           HA       SER   4  -0.840   4.986  -6.866
   26   1HB   SER   4          2HB       SER   4   1.095   5.320  -4.575
   27   2HB   SER   4          1HB       SER   4   1.019   4.009  -5.741
   28    HG   SER   4           HG       SER   4   1.476   5.643  -7.367
   29    H    CYS   5           H        CYS   5  -3.011   5.881  -5.521
   30    HA   CYS   5           HA       CYS   5  -3.256   4.020  -3.250
   31   1HB   CYS   5          2HB       CYS   5  -3.918   6.849  -3.468
   32   2HB   CYS   5          1HB       CYS   5  -5.286   5.881  -2.945
   33    H    GLY   6           H        GLY   6  -4.794   5.476  -6.043
   34   1HA   GLY   6          2HA       GLY   6  -7.204   3.920  -5.816
   35   2HA   GLY   6          1HA       GLY   6  -6.754   4.960  -7.159
   36    H    GLU   7           H        GLU   7  -5.138   2.164  -5.718
   37    HA   GLU   7           HA       GLU   7  -5.632   0.556  -8.083
   38   1HB   GLU   7          2HB       GLU   7  -3.259   0.136  -8.509
   39   2HB   GLU   7          1HB       GLU   7  -3.619   1.849  -8.684
   40   1HG   GLU   7          2HG       GLU   7  -2.730   2.260  -6.451
   41   2HG   GLU   7          1HG       GLU   7  -2.362   0.549  -6.280
   42    H    THR   8           H        THR   8  -4.640  -1.626  -7.804
   43    HA   THR   8           HA       THR   8  -4.987  -2.494  -5.043
   44    HB   THR   8           HB       THR   8  -4.882  -4.818  -6.169
   45    HG1  THR   8           1HG      THR   8  -5.698  -4.449  -8.482
   46   1HG2  THR   8          1HG2      THR   8  -7.221  -4.764  -6.705
   47   2HG2  THR   8          2HG2      THR   8  -7.171  -3.020  -6.968
   48   3HG2  THR   8          3HG2      THR   8  -6.950  -3.674  -5.345
   49    H    CYS   9           H        CYS   9  -3.420  -4.279  -4.307
   50    HA   CYS   9           HA       CYS   9  -0.832  -4.122  -5.561
   51   1HB   CYS   9          2HB       CYS   9   0.305  -3.395  -3.491
   52   2HB   CYS   9          1HB       CYS   9  -0.762  -2.163  -4.152
   53    H    PHE  10           H        PHE  10  -0.543  -6.184  -5.827
   54    HA   PHE  10           HA       PHE  10  -1.331  -8.220  -4.005
   55   1HB   PHE  10          2HB       PHE  10   0.496  -8.215  -6.415
   56   2HB   PHE  10          1HB       PHE  10   0.154  -9.662  -5.484
   57    HD1  PHE  10           1HD      PHE  10  -1.367 -11.066  -6.446
   58    HD2  PHE  10           2HD      PHE  10  -1.845  -6.870  -6.969
   59    HE1  PHE  10           1HE      PHE  10  -3.378 -11.468  -7.805
   60    HE2  PHE  10           2HE      PHE  10  -3.858  -7.265  -8.326
   61    HZ   PHE  10           HZ       PHE  10  -4.627  -9.566  -8.746
   62    H    LYS  11           H        LYS  11   1.280  -6.106  -4.290
   63    HA   LYS  11           HA       LYS  11   2.730  -7.438  -2.116
   64   1HB   LYS  11          2HB       LYS  11   3.866  -6.164  -4.608
   65   2HB   LYS  11          1HB       LYS  11   4.815  -6.287  -3.137
   66   1HG   LYS  11          2HG       LYS  11   5.466  -8.125  -4.408
   67   2HG   LYS  11          1HG       LYS  11   4.334  -8.792  -3.232
   68   1HD   LYS  11          2HD       LYS  11   2.549  -8.657  -4.953
   69   2HD   LYS  11          1HD       LYS  11   3.759  -8.114  -6.118
   70   1HE   LYS  11          2HE       LYS  11   3.785 -10.748  -4.644
   71   2HE   LYS  11          1HE       LYS  11   3.305 -10.515  -6.324
   72   1HZ   LYS  11          1HZ       LYS  11   6.005 -10.074  -5.170
   73   2HZ   LYS  11          2HZ       LYS  11   5.574  -9.674  -6.755
   74   3HZ   LYS  11          3HZ       LYS  11   5.550 -11.290  -6.256
   75    H    PHE  12           H        PHE  12   4.070  -5.747  -0.893
   76    HA   PHE  12           HA       PHE  12   2.368  -3.472  -0.393
   77   1HB   PHE  12          2HB       PHE  12   4.840  -4.535   0.968
   78   2HB   PHE  12          1HB       PHE  12   4.103  -3.005   1.428
   79    HD1  PHE  12           1HD      PHE  12   2.833  -6.448   0.672
   80    HD2  PHE  12           2HD      PHE  12   2.885  -3.139   3.348
   81    HE1  PHE  12           1HE      PHE  12   1.275  -7.634   2.162
   82    HE2  PHE  12           2HE      PHE  12   1.328  -4.320   4.843
   83    HZ   PHE  12           HZ       PHE  12   0.521  -6.569   4.251
   84    H    LYS  13           H        LYS  13   2.859  -2.824  -2.620
   85    HA   LYS  13           HA       LYS  13   5.379  -1.486  -3.017
   86   1HB   LYS  13          2HB       LYS  13   4.366  -2.779  -4.845
   87   2HB   LYS  13          1HB       LYS  13   2.968  -1.718  -4.823
   88   1HG   LYS  13          2HG       LYS  13   5.643  -0.508  -5.285
   89   2HG   LYS  13          1HG       LYS  13   4.907  -1.441  -6.586
   90   1HD   LYS  13          2HD       LYS  13   3.615   0.893  -5.168
   91   2HD   LYS  13          1HD       LYS  13   4.406   0.971  -6.744
   92   1HE   LYS  13          2HE       LYS  13   2.781  -0.664  -7.615
   93   2HE   LYS  13          1HE       LYS  13   1.976  -0.676  -6.044
   94   1HZ   LYS  13          1HZ       LYS  13   2.297   1.748  -7.727
   95   2HZ   LYS  13          2HZ       LYS  13   1.391   1.611  -6.309
   96   3HZ   LYS  13          3HZ       LYS  13   0.900   0.788  -7.705
   97    H    CYS  14           H        CYS  14   2.136  -0.614  -2.147
   98    HA   CYS  14           HA       CYS  14   2.638   2.184  -2.717
   99   1HB   CYS  14          2HB       CYS  14   0.250   0.833  -1.453
  100   2HB   CYS  14          1HB       CYS  14   0.350   2.546  -1.844
  101    H    TYR  15           H        TYR  15   3.523   3.523  -1.379
  102    HA   TYR  15           HA       TYR  15   3.039   3.519   1.431
  103   1HB   TYR  15          2HB       TYR  15   5.592   3.428   1.916
  104   2HB   TYR  15          1HB       TYR  15   4.717   1.919   1.704
  105    HD1  TYR  15           1HD      TYR  15   5.706   0.308   0.395
  106    HD2  TYR  15           2HD      TYR  15   6.598   4.398  -0.391
  107    HE1  TYR  15           1HE      TYR  15   7.311  -0.377  -1.338
  108    HE2  TYR  15           2HE      TYR  15   8.198   3.720  -2.130
  109    HH   TYR  15           HH       TYR  15   8.790   0.291  -2.847
  110    H    THR  16           H        THR  16   2.608   5.201  -0.750
  111    HA   THR  16           HA       THR  16   4.520   7.358  -0.710
  112    HB   THR  16           HB       THR  16   2.156   8.208  -1.969
  113    HG1  THR  16           1HG      THR  16   2.341   6.005  -3.383
  114   1HG2  THR  16          1HG2      THR  16   3.439   7.985  -4.005
  115   2HG2  THR  16          2HG2      THR  16   4.543   6.850  -3.227
  116   3HG2  THR  16          3HG2      THR  16   4.502   8.536  -2.710
  117    HA   PRO  17           HA       PRO  17   2.831  10.174   2.269
  118   1HB   PRO  17          2HB       PRO  17   1.466  11.802   0.169
  119   2HB   PRO  17          1HB       PRO  17   2.510  12.329   1.495
  120   1HG   PRO  17          2HG       PRO  17   3.441  12.206  -0.995
  121   2HG   PRO  17          1HG       PRO  17   4.452  11.731   0.382
  122   1HD   PRO  17          2HD       PRO  17   3.084  10.030  -1.642
  123   2HD   PRO  17          1HD       PRO  17   4.616   9.760  -0.789
  124    H    ARG  18           H        ARG  18   1.322   9.426   3.518
  125    HA   ARG  18           HA       ARG  18  -0.581   8.576   4.343
  126   1HB   ARG  18          2HB       ARG  18  -1.081  11.121   3.563
  127   2HB   ARG  18          1HB       ARG  18  -2.284  10.255   2.639
  128   1HG   ARG  18          2HG       ARG  18  -2.084  10.698   5.558
  129   2HG   ARG  18          1HG       ARG  18  -3.501  10.692   4.515
  130   1HD   ARG  18          2HD       ARG  18  -1.999   8.203   5.330
  131   2HD   ARG  18          1HD       ARG  18  -3.393   8.831   6.198
  132    HE   ARG  18           HE       ARG  18  -3.392   7.337   3.750
  133   1HH1  ARG  18          1HH1      ARG  18  -5.205   9.670   5.639
  134   2HH1  ARG  18          2HH1      ARG  18  -6.715   9.292   4.883
  135   1HH2  ARG  18          1HH2      ARG  18  -5.365   6.820   2.755
  136   2HH2  ARG  18          2HH2      ARG  18  -6.809   7.662   3.245
  137    H    CYS  19           H        CYS  19   0.441   7.030   2.390
  138    HA   CYS  19           HA       CYS  19  -1.967   5.783   1.357
  139   1HB   CYS  19          2HB       CYS  19  -1.078   7.388  -0.427
  140   2HB   CYS  19          1HB       CYS  19   0.324   6.326  -0.537
  141    H    SER  20           H        SER  20  -1.819   3.743   1.934
  142    HA   SER  20           HA       SER  20   0.815   2.455   1.832
  143   1HB   SER  20          2HB       SER  20  -0.274   1.219   3.982
  144   2HB   SER  20          1HB       SER  20   0.841   2.579   4.080
  145    HG   SER  20           HG       SER  20  -1.750   3.364   3.706
  146    H    CYS  21           H        CYS  21   0.889   0.393   1.282
  147    HA   CYS  21           HA       CYS  21  -1.367  -0.579  -0.160
  148   1HB   CYS  21          2HB       CYS  21   0.712  -1.106  -1.142
  149   2HB   CYS  21          1HB       CYS  21   1.377  -1.747   0.356
  150    H    SER  22           H        SER  22  -3.022  -0.965   1.173
  151    HA   SER  22           HA       SER  22  -2.723  -2.690   3.476
  152   1HB   SER  22          2HB       SER  22  -5.287  -1.578   2.324
  153   2HB   SER  22          1HB       SER  22  -4.949  -2.054   3.978
  154    HG   SER  22           HG       SER  22  -3.236  -0.136   3.182
  155    H    TYR  23           H        TYR  23  -1.935  -4.371   2.057
  156    HA   TYR  23           HA       TYR  23  -2.701  -5.642  -0.053
  157   1HB   TYR  23          2HB       TYR  23  -1.090  -6.544   1.588
  158   2HB   TYR  23          1HB       TYR  23  -2.433  -7.124   2.565
  159    HD1  TYR  23           1HD      TYR  23  -2.662  -9.409   2.452
  160    HD2  TYR  23           2HD      TYR  23  -1.561  -7.299  -1.073
  161    HE1  TYR  23           1HE      TYR  23  -2.676 -11.518   1.192
  162    HE2  TYR  23           2HE      TYR  23  -1.574  -9.402  -2.344
  163    HH   TYR  23           HH       TYR  23  -1.239 -12.019  -1.583
  164    HA   PRO  24           HA       PRO  24  -3.302  -6.134  -1.420
  165   1HB   PRO  24          2HB       PRO  24  -4.870  -6.959  -3.403
  166   2HB   PRO  24          1HB       PRO  24  -4.231  -8.108  -2.221
  167   1HG   PRO  24          2HG       PRO  24  -6.989  -7.112  -2.560
  168   2HG   PRO  24          1HG       PRO  24  -6.420  -8.591  -1.769
  169   1HD   PRO  24          2HD       PRO  24  -7.089  -6.015  -0.569
  170   2HD   PRO  24          1HD       PRO  24  -6.732  -7.560   0.234
  171    H    VAL  25           H        VAL  25  -4.838  -3.765  -0.378
  172    HA   VAL  25           HA       VAL  25  -5.123  -2.403  -2.969
  173    HB   VAL  25           HB       VAL  25  -7.135  -1.785  -0.852
  174   1HG1  VAL  25          1HG1      VAL  25  -7.062  -0.148  -2.502
  175   2HG1  VAL  25          2HG1      VAL  25  -8.447  -1.149  -2.938
  176   3HG1  VAL  25          3HG1      VAL  25  -6.920  -1.333  -3.800
  177   1HG2  VAL  25          1HG2      VAL  25  -7.116  -4.305  -1.713
  178   2HG2  VAL  25          2HG2      VAL  25  -7.998  -3.573  -3.053
  179   3HG2  VAL  25          3HG2      VAL  25  -8.615  -3.425  -1.407
  180    H    CYS  26           H        CYS  26  -4.322  -0.409  -2.977
  181    HA   CYS  26           HA       CYS  26  -2.900   0.567  -0.701
  182   1HB   CYS  26          2HB       CYS  26  -3.412   1.901  -3.366
  183   2HB   CYS  26          1HB       CYS  26  -2.112   2.241  -2.237
  184    H    LYS  27           H        LYS  27  -3.366   2.398   0.573
  185    HA   LYS  27           HA       LYS  27  -5.732   3.976  -0.023
  186   1HB   LYS  27          2HB       LYS  27  -6.302   1.794   1.312
  187   2HB   LYS  27          1HB       LYS  27  -5.645   2.687   2.676
  188   1HG   LYS  27          2HG       LYS  27  -7.431   4.028   2.821
  189   2HG   LYS  27          1HG       LYS  27  -7.595   4.170   1.070
  190   1HD   LYS  27          2HD       LYS  27  -8.342   1.680   2.583
  191   2HD   LYS  27          1HD       LYS  27  -9.483   2.990   2.281
  192   1HE   LYS  27          2HE       LYS  27  -9.806   1.335   0.586
  193   2HE   LYS  27          1HE       LYS  27  -9.027   2.726  -0.161
  194   1HZ   LYS  27          1HZ       LYS  27  -8.199   0.221  -0.491
  195   2HZ   LYS  27          2HZ       LYS  27  -7.238   0.662   0.828
  196   3HZ   LYS  27          3HZ       LYS  27  -7.166   1.560  -0.606
  Start of MODEL   16
    1   1H    SER   1          1HT       SER   1  -0.137  16.286  -0.776
    2   2H    SER   1          2HT       SER   1   1.484  16.727  -0.573
    3   3H    SER   1          3HT       SER   1   0.570  16.225   0.761
    4    HA   SER   1           HA       SER   1   2.219  14.632  -0.581
    5   1HB   SER   1          2HB       SER   1  -0.374  13.691   0.653
    6   2HB   SER   1          1HB       SER   1   1.212  12.918   0.727
    7    HG   SER   1           HG       SER   1   0.917  13.959   2.661
    8    H    ALA   2           H        ALA   2   2.200  13.237  -2.310
    9    HA   ALA   2           HA       ALA   2   0.075  13.589  -4.235
   10   1HB   ALA   2          1HB       ALA   2   2.267  11.659  -4.737
   11   2HB   ALA   2          2HB       ALA   2   2.702  13.361  -4.582
   12   3HB   ALA   2          3HB       ALA   2   1.540  12.855  -5.809
   13    H    ILE   3           H        ILE   3  -1.667  12.352  -4.251
   14    HA   ILE   3           HA       ILE   3  -1.648   9.803  -2.902
   15    HB   ILE   3           HB       ILE   3  -3.493  11.328  -2.437
   16   1HG1  ILE   3          2HG1      ILE   3  -5.374   9.789  -2.775
   17   2HG1  ILE   3          1HG1      ILE   3  -4.441   8.897  -3.970
   18   1HG2  ILE   3          1HG2      ILE   3  -5.040  11.089  -4.821
   19   2HG2  ILE   3          2HG2      ILE   3  -3.463  11.777  -5.211
   20   3HG2  ILE   3          3HG2      ILE   3  -4.481  12.543  -3.992
   21   1HD1  ILE   3          1HD1      ILE   3  -2.789   8.850  -1.797
   22   2HD1  ILE   3          2HD1      ILE   3  -3.904   7.566  -2.270
   23   3HD1  ILE   3          3HD1      ILE   3  -4.391   8.756  -1.063
   24    H    SER   4           H        SER   4  -0.018   9.574  -4.955
   25    HA   SER   4           HA       SER   4  -1.292   8.707  -7.366
   26   1HB   SER   4          2HB       SER   4   1.563   8.351  -6.439
   27   2HB   SER   4          1HB       SER   4   0.960   8.220  -8.083
   28    HG   SER   4           HG       SER   4   1.190  10.288  -8.256
   29    H    CYS   5           H        CYS   5  -2.489   7.261  -5.459
   30    HA   CYS   5           HA       CYS   5  -1.456   4.578  -5.880
   31   1HB   CYS   5          2HB       CYS   5  -2.448   5.762  -3.278
   32   2HB   CYS   5          1HB       CYS   5  -2.039   4.078  -3.533
   33    H    GLY   6           H        GLY   6  -3.926   4.477  -3.726
   34   1HA   GLY   6          2HA       GLY   6  -6.210   4.172  -3.830
   35   2HA   GLY   6          1HA       GLY   6  -6.190   4.974  -5.389
   36    H    GLU   7           H        GLU   7  -4.158   2.892  -6.281
   37    HA   GLU   7           HA       GLU   7  -5.980   1.106  -7.535
   38   1HB   GLU   7          2HB       GLU   7  -3.942   0.119  -8.489
   39   2HB   GLU   7          1HB       GLU   7  -3.924   1.874  -8.607
   40   1HG   GLU   7          2HG       GLU   7  -2.472   1.993  -6.642
   41   2HG   GLU   7          1HG       GLU   7  -2.480   0.235  -6.533
   42    H    THR   8           H        THR   8  -4.711  -1.250  -7.622
   43    HA   THR   8           HA       THR   8  -5.190  -2.392  -4.965
   44    HB   THR   8           HB       THR   8  -5.038  -4.592  -6.368
   45    HG1  THR   8           1HG      THR   8  -5.444  -4.328  -8.546
   46   1HG2  THR   8          1HG2      THR   8  -7.462  -4.206  -7.156
   47   2HG2  THR   8          2HG2      THR   8  -7.303  -2.620  -6.401
   48   3HG2  THR   8          3HG2      THR   8  -7.121  -4.081  -5.431
   49    H    CYS   9           H        CYS   9  -3.575  -4.130  -4.272
   50    HA   CYS   9           HA       CYS   9  -1.024  -3.933  -5.608
   51   1HB   CYS   9          2HB       CYS   9   0.166  -3.260  -3.525
   52   2HB   CYS   9          1HB       CYS   9  -0.875  -2.008  -4.189
   53    H    PHE  10           H        PHE  10  -0.820  -6.025  -5.947
   54    HA   PHE  10           HA       PHE  10  -1.328  -7.998  -3.899
   55   1HB   PHE  10          2HB       PHE  10  -0.357  -8.133  -6.751
   56   2HB   PHE  10          1HB       PHE  10  -0.347  -9.544  -5.707
   57    HD1  PHE  10           1HD      PHE  10  -2.812  -6.803  -6.330
   58    HD2  PHE  10           2HD      PHE  10  -2.036 -10.987  -6.247
   59    HE1  PHE  10           1HE      PHE  10  -5.164  -7.246  -6.895
   60    HE2  PHE  10           2HE      PHE  10  -4.389 -11.436  -6.814
   61    HZ   PHE  10           HZ       PHE  10  -5.956  -9.566  -7.138
   62    H    LYS  11           H        LYS  11   0.589  -5.965  -3.430
   63    HA   LYS  11           HA       LYS  11   2.682  -7.366  -2.198
   64   1HB   LYS  11          2HB       LYS  11   3.298  -7.142  -4.817
   65   2HB   LYS  11          1HB       LYS  11   3.805  -5.544  -4.286
   66   1HG   LYS  11          2HG       LYS  11   5.684  -7.057  -4.265
   67   2HG   LYS  11          1HG       LYS  11   5.277  -6.586  -2.612
   68   1HD   LYS  11          2HD       LYS  11   5.722  -8.960  -2.676
   69   2HD   LYS  11          1HD       LYS  11   4.004  -8.699  -2.368
   70   1HE   LYS  11          2HE       LYS  11   3.890  -8.861  -5.013
   71   2HE   LYS  11          1HE       LYS  11   5.365  -9.796  -4.774
   72   1HZ   LYS  11          1HZ       LYS  11   3.883 -10.977  -2.986
   73   2HZ   LYS  11          2HZ       LYS  11   3.795 -11.425  -4.614
   74   3HZ   LYS  11          3HZ       LYS  11   2.617 -10.403  -3.953
   75    H    PHE  12           H        PHE  12   4.143  -5.604  -1.136
   76    HA   PHE  12           HA       PHE  12   2.395  -3.438  -0.356
   77   1HB   PHE  12          2HB       PHE  12   5.106  -4.329   0.614
   78   2HB   PHE  12          1HB       PHE  12   4.318  -2.873   1.211
   79    HD1  PHE  12           1HD      PHE  12   3.325  -6.430   0.584
   80    HD2  PHE  12           2HD      PHE  12   3.308  -3.105   3.240
   81    HE1  PHE  12           1HE      PHE  12   2.089  -7.765   2.240
   82    HE2  PHE  12           2HE      PHE  12   2.074  -4.434   4.901
   83    HZ   PHE  12           HZ       PHE  12   1.463  -6.768   4.402
   84    H    LYS  13           H        LYS  13   2.616  -2.842  -2.736
   85    HA   LYS  13           HA       LYS  13   4.920  -1.161  -3.249
   86   1HB   LYS  13          2HB       LYS  13   3.804  -2.805  -4.929
   87   2HB   LYS  13          1HB       LYS  13   2.610  -1.537  -5.135
   88   1HG   LYS  13          2HG       LYS  13   5.440  -0.736  -5.436
   89   2HG   LYS  13          1HG       LYS  13   4.781  -1.797  -6.681
   90   1HD   LYS  13          2HD       LYS  13   3.673   0.884  -5.832
   91   2HD   LYS  13          1HD       LYS  13   4.526   0.530  -7.335
   92   1HE   LYS  13          2HE       LYS  13   2.748  -0.875  -8.095
   93   2HE   LYS  13          1HE       LYS  13   1.949  -0.806  -6.526
   94   1HZ   LYS  13          1HZ       LYS  13   2.235   1.392  -8.495
   95   2HZ   LYS  13          2HZ       LYS  13   1.691   1.631  -6.914
   96   3HZ   LYS  13          3HZ       LYS  13   0.801   0.651  -7.975
   97    H    CYS  14           H        CYS  14   3.344  -0.247  -1.170
   98    HA   CYS  14           HA       CYS  14   2.678   2.370  -2.203
   99   1HB   CYS  14          2HB       CYS  14   0.628   0.740  -0.700
  100   2HB   CYS  14          1HB       CYS  14   0.501   2.464  -1.005
  101    H    TYR  15           H        TYR  15   3.846   3.606  -1.011
  102    HA   TYR  15           HA       TYR  15   3.628   3.606   1.856
  103   1HB   TYR  15          2HB       TYR  15   6.274   3.585   1.925
  104   2HB   TYR  15          1HB       TYR  15   5.367   2.078   1.963
  105    HD1  TYR  15           1HD      TYR  15   7.175   4.377  -0.341
  106    HD2  TYR  15           2HD      TYR  15   5.727   0.422   0.329
  107    HE1  TYR  15           1HE      TYR  15   8.381   3.601  -2.338
  108    HE2  TYR  15           2HE      TYR  15   6.940  -0.358  -1.661
  109    HH   TYR  15           HH       TYR  15   9.009   0.429  -2.992
  110    H    THR  16           H        THR  16   3.096   5.188  -0.512
  111    HA   THR  16           HA       THR  16   4.885   7.449  -0.513
  112    HB   THR  16           HB       THR  16   2.248   7.900  -1.684
  113    HG1  THR  16           1HG      THR  16   2.013   6.096  -2.815
  114   1HG2  THR  16          1HG2      THR  16   5.021   8.330  -2.293
  115   2HG2  THR  16          2HG2      THR  16   3.597   9.091  -3.004
  116   3HG2  THR  16          3HG2      THR  16   4.219   7.584  -3.677
  117    HA   PRO  17           HA       PRO  17   3.079   9.831   2.780
  118   1HB   PRO  17          2HB       PRO  17   2.638  12.045   0.835
  119   2HB   PRO  17          1HB       PRO  17   3.471  12.068   2.394
  120   1HG   PRO  17          2HG       PRO  17   4.851  12.112   0.116
  121   2HG   PRO  17          1HG       PRO  17   5.426  11.185   1.514
  122   1HD   PRO  17          2HD       PRO  17   4.125  10.223  -0.995
  123   2HD   PRO  17          1HD       PRO  17   5.405   9.468  -0.024
  124    H    ARG  18           H        ARG  18   1.136   9.288   3.457
  125    HA   ARG  18           HA       ARG  18  -1.093   9.092   3.711
  126   1HB   ARG  18          2HB       ARG  18  -1.141  11.508   3.038
  127   2HB   ARG  18          1HB       ARG  18  -1.359  10.994   1.378
  128   1HG   ARG  18          2HG       ARG  18  -3.338   9.787   3.122
  129   2HG   ARG  18          1HG       ARG  18  -3.348  11.544   3.242
  130   1HD   ARG  18          2HD       ARG  18  -3.824  11.815   0.965
  131   2HD   ARG  18          1HD       ARG  18  -3.345  10.164   0.576
  132    HE   ARG  18           HE       ARG  18  -5.911  11.056   1.549
  133   1HH1  ARG  18          1HH1      ARG  18  -3.772   8.314   1.126
  134   2HH1  ARG  18          2HH1      ARG  18  -5.046   7.126   1.246
  135   1HH2  ARG  18          1HH2      ARG  18  -7.590   9.485   1.730
  136   2HH2  ARG  18          2HH2      ARG  18  -7.196   7.801   1.605
  137    H    CYS  19           H        CYS  19   0.297   7.171   2.386
  138    HA   CYS  19           HA       CYS  19  -1.779   5.998   0.747
  139   1HB   CYS  19          2HB       CYS  19  -0.543   7.018  -1.006
  140   2HB   CYS  19          1HB       CYS  19   0.998   6.595  -0.270
  141    H    SER  20           H        SER  20  -1.975   3.891   1.247
  142    HA   SER  20           HA       SER  20   0.365   2.458   2.247
  143   1HB   SER  20          2HB       SER  20  -1.636   1.602   3.955
  144   2HB   SER  20          1HB       SER  20  -0.290   2.662   4.360
  145    HG   SER  20           HG       SER  20  -2.476   3.873   3.155
  146    H    CYS  21           H        CYS  21   0.489   0.438   1.693
  147    HA   CYS  21           HA       CYS  21  -1.685  -0.600   0.074
  148   1HB   CYS  21          2HB       CYS  21   0.415  -0.849  -1.012
  149   2HB   CYS  21          1HB       CYS  21   1.172  -1.557   0.410
  150    H    SER  22           H        SER  22  -3.205  -1.249   1.404
  151    HA   SER  22           HA       SER  22  -2.633  -2.977   3.652
  152   1HB   SER  22          2HB       SER  22  -5.258  -1.944   2.536
  153   2HB   SER  22          1HB       SER  22  -5.031  -2.754   4.075
  154    HG   SER  22           HG       SER  22  -4.051  -0.220   3.299
  155    H    TYR  23           H        TYR  23  -1.669  -4.455   2.126
  156    HA   TYR  23           HA       TYR  23  -2.302  -5.787   0.019
  157   1HB   TYR  23          2HB       TYR  23  -0.563  -6.421   1.716
  158   2HB   TYR  23          1HB       TYR  23  -1.805  -7.337   2.559
  159    HD1  TYR  23           1HD      TYR  23  -1.434  -9.596   2.286
  160    HD2  TYR  23           2HD      TYR  23  -0.878  -7.016  -1.050
  161    HE1  TYR  23           1HE      TYR  23  -0.934 -11.544   0.869
  162    HE2  TYR  23           2HE      TYR  23  -0.383  -8.956  -2.473
  163    HH   TYR  23           HH       TYR  23  -1.004 -12.136  -1.541
  164    HA   PRO  24           HA       PRO  24  -2.918  -6.284  -1.361
  165   1HB   PRO  24          2HB       PRO  24  -4.445  -7.265  -3.309
  166   2HB   PRO  24          1HB       PRO  24  -3.575  -8.346  -2.213
  167   1HG   PRO  24          2HG       PRO  24  -6.467  -7.785  -2.379
  168   2HG   PRO  24          1HG       PRO  24  -5.633  -9.180  -1.677
  169   1HD   PRO  24          2HD       PRO  24  -6.629  -6.778  -0.347
  170   2HD   PRO  24          1HD       PRO  24  -6.009  -8.279   0.378
  171    H    VAL  25           H        VAL  25  -4.717  -4.236  -0.134
  172    HA   VAL  25           HA       VAL  25  -5.617  -2.963  -2.649
  173    HB   VAL  25           HB       VAL  25  -6.941  -2.328  -0.052
  174   1HG1  VAL  25          1HG1      VAL  25  -7.125  -1.044  -2.319
  175   2HG1  VAL  25          2HG1      VAL  25  -8.545  -1.285  -1.300
  176   3HG1  VAL  25          3HG1      VAL  25  -8.280  -2.320  -2.704
  177   1HG2  VAL  25          1HG2      VAL  25  -7.022  -4.860  -0.658
  178   2HG2  VAL  25          2HG2      VAL  25  -8.173  -4.336  -1.888
  179   3HG2  VAL  25          3HG2      VAL  25  -8.503  -4.028  -0.184
  180    H    CYS  26           H        CYS  26  -4.942  -0.964  -2.989
  181    HA   CYS  26           HA       CYS  26  -3.250   0.291  -0.954
  182   1HB   CYS  26          2HB       CYS  26  -2.354  -0.164  -3.262
  183   2HB   CYS  26          1HB       CYS  26  -3.530   0.981  -3.885
  184    H    LYS  27           H        LYS  27  -3.891   2.137   0.057
  185    HA   LYS  27           HA       LYS  27  -5.860   3.874  -1.171
  186   1HB   LYS  27          2HB       LYS  27  -6.334   2.295   1.340
  187   2HB   LYS  27          1HB       LYS  27  -7.098   3.853   1.103
  188   1HG   LYS  27          2HG       LYS  27  -7.378   1.477  -0.719
  189   2HG   LYS  27          1HG       LYS  27  -8.569   2.008   0.470
  190   1HD   LYS  27          2HD       LYS  27  -9.032   3.986  -0.723
  191   2HD   LYS  27          1HD       LYS  27  -7.584   3.819  -1.719
  192   1HE   LYS  27          2HE       LYS  27  -9.962   1.962  -1.782
  193   2HE   LYS  27          1HE       LYS  27  -9.658   3.259  -2.939
  194   1HZ   LYS  27          1HZ       LYS  27  -7.395   1.539  -2.651
  195   2HZ   LYS  27          2HZ       LYS  27  -8.231   1.987  -4.053
  196   3HZ   LYS  27          3HZ       LYS  27  -8.772   0.677  -3.127
  Start of MODEL   17
    1   1H    SER   1          1HT       SER   1  -0.120   3.058 -10.998
    2   2H    SER   1          2HT       SER   1  -0.236   3.497  -9.366
    3   3H    SER   1          3HT       SER   1   1.253   3.593 -10.167
    4    HA   SER   1           HA       SER   1   0.189   5.249 -11.708
    5   1HB   SER   1          2HB       SER   1  -1.827   5.261  -9.441
    6   2HB   SER   1          1HB       SER   1  -1.847   6.307 -10.863
    7    HG   SER   1           HG       SER   1  -3.073   4.066 -10.672
    8    H    ALA   2           H        ALA   2   0.022   7.669 -10.827
    9    HA   ALA   2           HA       ALA   2   2.378   8.171  -9.364
   10   1HB   ALA   2          1HB       ALA   2   0.185   9.785 -10.487
   11   2HB   ALA   2          2HB       ALA   2   1.929  10.038 -10.555
   12   3HB   ALA   2          3HB       ALA   2   1.025  10.507  -9.115
   13    H    ILE   3           H        ILE   3  -1.021   8.665  -8.434
   14    HA   ILE   3           HA       ILE   3  -0.285   8.821  -5.652
   15    HB   ILE   3           HB       ILE   3  -3.039   8.840  -6.908
   16   1HG1  ILE   3          2HG1      ILE   3  -1.343  11.149  -5.926
   17   2HG1  ILE   3          1HG1      ILE   3  -1.641  10.756  -7.615
   18   1HG2  ILE   3          1HG2      ILE   3  -2.917   8.135  -4.515
   19   2HG2  ILE   3          2HG2      ILE   3  -3.856   9.602  -4.791
   20   3HG2  ILE   3          3HG2      ILE   3  -2.221   9.712  -4.141
   21   1HD1  ILE   3          1HD1      ILE   3  -4.114  11.052  -7.056
   22   2HD1  ILE   3          2HD1      ILE   3  -3.109  12.499  -7.144
   23   3HD1  ILE   3          3HD1      ILE   3  -3.551  11.826  -5.574
   24    H    SER   4           H        SER   4   0.344   6.882  -4.904
   25    HA   SER   4           HA       SER   4  -0.636   4.406  -5.818
   26   1HB   SER   4          2HB       SER   4   0.784   4.830  -3.208
   27   2HB   SER   4          1HB       SER   4   0.899   3.478  -4.328
   28    HG   SER   4           HG       SER   4   1.759   5.170  -5.841
   29    H    CYS   5           H        CYS   5  -2.939   5.424  -5.320
   30    HA   CYS   5           HA       CYS   5  -3.896   4.057  -2.923
   31   1HB   CYS   5          2HB       CYS   5  -4.200   6.920  -3.604
   32   2HB   CYS   5          1HB       CYS   5  -5.626   6.108  -2.996
   33    H    GLY   6           H        GLY   6  -4.665   5.575  -6.000
   34   1HA   GLY   6          2HA       GLY   6  -7.204   4.232  -6.241
   35   2HA   GLY   6          1HA       GLY   6  -6.434   5.235  -7.462
   36    H    GLU   7           H        GLU   7  -5.355   2.302  -5.787
   37    HA   GLU   7           HA       GLU   7  -5.673   0.614  -8.063
   38   1HB   GLU   7          2HB       GLU   7  -3.276   0.194  -8.483
   39   2HB   GLU   7          1HB       GLU   7  -3.737   1.846  -8.876
   40   1HG   GLU   7          2HG       GLU   7  -2.892   2.498  -6.610
   41   2HG   GLU   7          1HG       GLU   7  -2.224   0.878  -6.472
   42    H    THR   8           H        THR   8  -4.888  -1.531  -7.677
   43    HA   THR   8           HA       THR   8  -5.061  -2.262  -4.875
   44    HB   THR   8           HB       THR   8  -4.998  -4.627  -5.877
   45    HG1  THR   8           1HG      THR   8  -5.725  -4.480  -8.189
   46   1HG2  THR   8          1HG2      THR   8  -7.092  -3.875  -5.138
   47   2HG2  THR   8          2HG2      THR   8  -7.375  -4.331  -6.818
   48   3HG2  THR   8          3HG2      THR   8  -7.186  -2.632  -6.386
   49    H    CYS   9           H        CYS   9  -3.526  -4.192  -4.221
   50    HA   CYS   9           HA       CYS   9  -0.944  -4.038  -5.471
   51   1HB   CYS   9          2HB       CYS   9   0.265  -3.375  -3.445
   52   2HB   CYS   9          1HB       CYS   9  -0.821  -2.112  -4.006
   53    H    PHE  10           H        PHE  10  -0.736  -6.121  -5.801
   54    HA   PHE  10           HA       PHE  10  -1.499  -8.156  -3.958
   55   1HB   PHE  10          2HB       PHE  10   0.159  -8.147  -6.481
   56   2HB   PHE  10          1HB       PHE  10  -0.038  -9.597  -5.513
   57    HD1  PHE  10           1HD      PHE  10  -2.378  -6.913  -6.656
   58    HD2  PHE  10           2HD      PHE  10  -1.474 -11.069  -6.511
   59    HE1  PHE  10           1HE      PHE  10  -4.488  -7.410  -7.820
   60    HE2  PHE  10           2HE      PHE  10  -3.580 -11.572  -7.675
   61    HZ   PHE  10           HZ       PHE  10  -5.091  -9.741  -8.331
   62    H    LYS  11           H        LYS  11   1.181  -6.152  -4.481
   63    HA   LYS  11           HA       LYS  11   2.713  -7.465  -2.348
   64   1HB   LYS  11          2HB       LYS  11   3.825  -5.930  -4.721
   65   2HB   LYS  11          1HB       LYS  11   4.774  -6.622  -3.411
   66   1HG   LYS  11          2HG       LYS  11   3.102  -8.191  -5.366
   67   2HG   LYS  11          1HG       LYS  11   4.852  -7.983  -5.449
   68   1HD   LYS  11          2HD       LYS  11   3.417  -9.220  -3.102
   69   2HD   LYS  11          1HD       LYS  11   4.092 -10.150  -4.439
   70   1HE   LYS  11          2HE       LYS  11   5.666  -8.288  -2.665
   71   2HE   LYS  11          1HE       LYS  11   5.586 -10.039  -2.466
   72   1HZ   LYS  11          1HZ       LYS  11   7.245  -8.530  -4.179
   73   2HZ   LYS  11          2HZ       LYS  11   6.278  -9.560  -5.111
   74   3HZ   LYS  11          3HZ       LYS  11   7.258 -10.198  -3.889
   75    H    PHE  12           H        PHE  12   4.026  -5.797  -1.107
   76    HA   PHE  12           HA       PHE  12   2.335  -3.520  -0.588
   77   1HB   PHE  12          2HB       PHE  12   4.800  -4.611   0.757
   78   2HB   PHE  12          1HB       PHE  12   4.084  -3.075   1.229
   79    HD1  PHE  12           1HD      PHE  12   2.927  -3.235   3.183
   80    HD2  PHE  12           2HD      PHE  12   2.711  -6.464   0.419
   81    HE1  PHE  12           1HE      PHE  12   1.366  -4.408   4.680
   82    HE2  PHE  12           2HE      PHE  12   1.149  -7.641   1.910
   83    HZ   PHE  12           HZ       PHE  12   0.474  -6.613   4.044
   84    H    LYS  13           H        LYS  13   2.973  -2.951  -2.931
   85    HA   LYS  13           HA       LYS  13   5.419  -1.393  -3.000
   86   1HB   LYS  13          2HB       LYS  13   4.822  -1.053  -5.437
   87   2HB   LYS  13          1HB       LYS  13   5.172  -2.702  -4.950
   88   1HG   LYS  13          2HG       LYS  13   3.325  -2.854  -6.383
   89   2HG   LYS  13          1HG       LYS  13   2.659  -3.027  -4.760
   90   1HD   LYS  13          2HD       LYS  13   1.890  -0.745  -4.779
   91   2HD   LYS  13          1HD       LYS  13   2.701  -0.440  -6.316
   92   1HE   LYS  13          2HE       LYS  13   1.213  -1.902  -7.473
   93   2HE   LYS  13          1HE       LYS  13   0.525  -2.492  -5.961
   94   1HZ   LYS  13          1HZ       LYS  13  -1.051  -0.981  -6.526
   95   2HZ   LYS  13          2HZ       LYS  13   0.018   0.019  -7.386
   96   3HZ   LYS  13          3HZ       LYS  13  -0.012   0.066  -5.691
   97    H    CYS  14           H        CYS  14   3.147  -0.537  -1.379
   98    HA   CYS  14           HA       CYS  14   2.968   2.166  -2.475
   99   1HB   CYS  14          2HB       CYS  14   0.606   0.607  -1.404
  100   2HB   CYS  14          1HB       CYS  14   0.598   2.344  -1.660
  101    H    TYR  15           H        TYR  15   3.767   3.490  -1.064
  102    HA   TYR  15           HA       TYR  15   3.095   3.433   1.712
  103   1HB   TYR  15          2HB       TYR  15   5.647   3.376   2.313
  104   2HB   TYR  15          1HB       TYR  15   4.774   1.865   2.088
  105    HD1  TYR  15           1HD      TYR  15   6.930   4.294   0.250
  106    HD2  TYR  15           2HD      TYR  15   5.578   0.268   0.589
  107    HE1  TYR  15           1HE      TYR  15   8.556   3.609  -1.463
  108    HE2  TYR  15           2HE      TYR  15   7.208  -0.424  -1.118
  109    HH   TYR  15           HH       TYR  15   8.939   0.207  -2.377
  110    H    THR  16           H        THR  16   2.820   5.085  -0.519
  111    HA   THR  16           HA       THR  16   4.658   7.302  -0.307
  112    HB   THR  16           HB       THR  16   2.361   8.023  -1.786
  113    HG1  THR  16           1HG      THR  16   2.583   6.023  -3.264
  114   1HG2  THR  16          1HG2      THR  16   4.952   6.876  -2.833
  115   2HG2  THR  16          2HG2      THR  16   4.757   8.537  -2.270
  116   3HG2  THR  16          3HG2      THR  16   3.853   7.969  -3.676
  117    HA   PRO  17           HA       PRO  17   2.566   9.907   2.577
  118   1HB   PRO  17          2HB       PRO  17   1.844  11.825   0.414
  119   2HB   PRO  17          1HB       PRO  17   2.664  12.121   1.951
  120   1HG   PRO  17          2HG       PRO  17   4.033  12.080  -0.331
  121   2HG   PRO  17          1HG       PRO  17   4.712  11.384   1.152
  122   1HD   PRO  17          2HD       PRO  17   3.540  10.012  -1.225
  123   2HD   PRO  17          1HD       PRO  17   4.895   9.520  -0.190
  124    H    ARG  18           H        ARG  18   0.682   9.318   3.393
  125    HA   ARG  18           HA       ARG  18  -1.462   8.894   3.760
  126   1HB   ARG  18          2HB       ARG  18  -1.949  10.702   1.408
  127   2HB   ARG  18          1HB       ARG  18  -3.075  10.266   2.669
  128   1HG   ARG  18          2HG       ARG  18  -1.846  11.474   4.314
  129   2HG   ARG  18          1HG       ARG  18  -0.538  11.778   3.168
  130   1HD   ARG  18          2HD       ARG  18  -1.909  13.758   3.392
  131   2HD   ARG  18          1HD       ARG  18  -2.089  13.083   1.775
  132    HE   ARG  18           HE       ARG  18  -4.300  12.736   2.201
  133   1HH1  ARG  18          1HH1      ARG  18  -2.668  13.272   5.254
  134   2HH1  ARG  18          2HH1      ARG  18  -4.127  13.254   6.187
  135   1HH2  ARG  18          1HH2      ARG  18  -6.231  12.716   3.426
  136   2HH2  ARG  18          2HH2      ARG  18  -6.162  12.938   5.143
  137    H    CYS  19           H        CYS  19   0.029   7.162   1.856
  138    HA   CYS  19           HA       CYS  19  -2.256   5.735   0.809
  139   1HB   CYS  19          2HB       CYS  19  -0.010   6.855  -0.848
  140   2HB   CYS  19          1HB       CYS  19  -0.884   5.426  -1.347
  141    H    SER  20           H        SER  20  -1.950   3.848   1.891
  142    HA   SER  20           HA       SER  20   0.763   2.675   1.823
  143   1HB   SER  20          2HB       SER  20  -0.939   1.680   3.957
  144   2HB   SER  20          1HB       SER  20   0.696   2.330   4.041
  145    HG   SER  20           HG       SER  20  -1.677   3.887   3.862
  146    H    CYS  21           H        CYS  21   0.960   0.534   1.270
  147    HA   CYS  21           HA       CYS  21  -1.271  -0.572  -0.125
  148   1HB   CYS  21          2HB       CYS  21   0.830  -1.054  -1.094
  149   2HB   CYS  21          1HB       CYS  21   1.493  -1.676   0.414
  150    H    SER  22           H        SER  22  -2.875  -0.875   1.289
  151    HA   SER  22           HA       SER  22  -2.535  -2.606   3.579
  152   1HB   SER  22          2HB       SER  22  -4.918  -1.085   2.471
  153   2HB   SER  22          1HB       SER  22  -4.915  -2.003   3.967
  154    HG   SER  22           HG       SER  22  -4.093   0.521   3.549
  155    H    TYR  23           H        TYR  23  -1.872  -4.303   2.147
  156    HA   TYR  23           HA       TYR  23  -2.752  -5.536   0.055
  157   1HB   TYR  23          2HB       TYR  23  -1.118  -6.494   1.643
  158   2HB   TYR  23          1HB       TYR  23  -2.448  -7.042   2.657
  159    HD1  TYR  23           1HD      TYR  23  -2.834  -9.305   2.513
  160    HD2  TYR  23           2HD      TYR  23  -1.601  -7.225  -0.986
  161    HE1  TYR  23           1HE      TYR  23  -2.937 -11.404   1.235
  162    HE2  TYR  23           2HE      TYR  23  -1.703  -9.316  -2.274
  163    HH   TYR  23           HH       TYR  23  -1.521 -11.844  -1.695
  164    HA   PRO  24           HA       PRO  24  -3.396  -6.105  -1.288
  165   1HB   PRO  24          2HB       PRO  24  -5.057  -6.912  -3.205
  166   2HB   PRO  24          1HB       PRO  24  -4.425  -8.056  -2.015
  167   1HG   PRO  24          2HG       PRO  24  -7.152  -6.963  -2.295
  168   2HG   PRO  24          1HG       PRO  24  -6.615  -8.442  -1.485
  169   1HD   PRO  24          2HD       PRO  24  -7.154  -5.818  -0.332
  170   2HD   PRO  24          1HD       PRO  24  -6.824  -7.353   0.500
  171    H    VAL  25           H        VAL  25  -4.791  -3.652  -0.268
  172    HA   VAL  25           HA       VAL  25  -5.187  -2.375  -2.896
  173    HB   VAL  25           HB       VAL  25  -6.893  -1.561  -0.572
  174   1HG1  VAL  25          1HG1      VAL  25  -6.476  -0.607  -3.203
  175   2HG1  VAL  25          2HG1      VAL  25  -7.555   0.024  -1.959
  176   3HG1  VAL  25          3HG1      VAL  25  -8.133  -1.199  -3.090
  177   1HG2  VAL  25          1HG2      VAL  25  -8.429  -3.171  -0.859
  178   2HG2  VAL  25          2HG2      VAL  25  -7.130  -4.067  -1.646
  179   3HG2  VAL  25          3HG2      VAL  25  -8.272  -3.133  -2.615
  180    H    CYS  26           H        CYS  26  -4.342  -0.361  -3.066
  181    HA   CYS  26           HA       CYS  26  -2.571   0.486  -0.976
  182   1HB   CYS  26          2HB       CYS  26  -3.160   1.539  -3.742
  183   2HB   CYS  26          1HB       CYS  26  -1.946   2.210  -2.674
  184    H    LYS  27           H        LYS  27  -3.610   1.405   0.699
  185    HA   LYS  27           HA       LYS  27  -4.830   3.973   0.281
  186   1HB   LYS  27          2HB       LYS  27  -6.684   2.163   0.105
  187   2HB   LYS  27          1HB       LYS  27  -6.437   1.936   1.830
  188   1HG   LYS  27          2HG       LYS  27  -7.131   4.583   0.577
  189   2HG   LYS  27          1HG       LYS  27  -8.324   3.453   1.216
  190   1HD   LYS  27          2HD       LYS  27  -7.403   3.647   3.428
  191   2HD   LYS  27          1HD       LYS  27  -6.054   4.615   2.828
  192   1HE   LYS  27          2HE       LYS  27  -7.758   6.002   3.906
  193   2HE   LYS  27          1HE       LYS  27  -7.587   6.389   2.194
  194   1HZ   LYS  27          1HZ       LYS  27  -9.717   5.949   1.893
  195   2HZ   LYS  27          2HZ       LYS  27  -9.899   5.666   3.550
  196   3HZ   LYS  27          3HZ       LYS  27  -9.533   4.384   2.509
  Start of MODEL   18
    1   1H    SER   1          1HT       SER   1   0.825  14.600  -1.543
    2   2H    SER   1          2HT       SER   1  -0.366  13.708  -0.736
    3   3H    SER   1          3HT       SER   1  -0.782  15.135  -1.544
    4    HA   SER   1           HA       SER   1  -0.993  14.127  -3.490
    5   1HB   SER   1          2HB       SER   1   1.511  14.016  -3.575
    6   2HB   SER   1          1HB       SER   1   1.432  12.445  -2.777
    7    HG   SER   1           HG       SER   1   1.561  12.496  -5.176
    8    H    ALA   2           H        ALA   2  -2.009  12.189  -4.292
    9    HA   ALA   2           HA       ALA   2  -2.323   9.967  -2.445
   10   1HB   ALA   2          1HB       ALA   2  -4.944  10.358  -3.068
   11   2HB   ALA   2          2HB       ALA   2  -4.377  12.018  -2.878
   12   3HB   ALA   2          3HB       ALA   2  -4.184  10.864  -1.559
   13    H    ILE   3           H        ILE   3  -1.100  10.212  -4.994
   14    HA   ILE   3           HA       ILE   3  -2.881   9.205  -6.978
   15    HB   ILE   3           HB       ILE   3  -1.045  10.553  -7.726
   16   1HG1  ILE   3          2HG1      ILE   3   0.020   9.022  -9.391
   17   2HG1  ILE   3          1HG1      ILE   3  -0.700   7.661  -8.538
   18   1HG2  ILE   3          1HG2      ILE   3   0.624  10.302  -6.110
   19   2HG2  ILE   3          2HG2      ILE   3   1.316   9.612  -7.578
   20   3HG2  ILE   3          3HG2      ILE   3   0.686   8.553  -6.317
   21   1HD1  ILE   3          1HD1      ILE   3  -2.827   9.370  -9.020
   22   2HD1  ILE   3          2HD1      ILE   3  -2.439   7.885  -9.889
   23   3HD1  ILE   3          3HD1      ILE   3  -1.858   9.437 -10.492
   24    H    SER   4           H        SER   4  -0.261   7.796  -5.023
   25    HA   SER   4           HA       SER   4  -0.640   5.165  -6.048
   26   1HB   SER   4          2HB       SER   4   0.857   6.084  -3.589
   27   2HB   SER   4          1HB       SER   4   1.064   4.568  -4.452
   28    HG   SER   4           HG       SER   4   1.816   5.731  -6.240
   29    H    CYS   5           H        CYS   5  -3.086   5.830  -5.315
   30    HA   CYS   5           HA       CYS   5  -3.574   4.227  -2.912
   31   1HB   CYS   5          2HB       CYS   5  -4.571   6.950  -3.575
   32   2HB   CYS   5          1HB       CYS   5  -5.658   5.853  -2.756
   33    H    GLY   6           H        GLY   6  -4.912   5.586  -5.880
   34   1HA   GLY   6          2HA       GLY   6  -7.168   3.827  -5.944
   35   2HA   GLY   6          1HA       GLY   6  -6.629   4.873  -7.246
   36    H    GLU   7           H        GLU   7  -4.910   2.253  -5.599
   37    HA   GLU   7           HA       GLU   7  -5.028   0.633  -8.023
   38   1HB   GLU   7          2HB       GLU   7  -2.520   1.633  -6.728
   39   2HB   GLU   7          1HB       GLU   7  -2.533   0.113  -7.605
   40   1HG   GLU   7          2HG       GLU   7  -3.465   1.394  -9.551
   41   2HG   GLU   7          1HG       GLU   7  -3.079   2.851  -8.655
   42    H    THR   8           H        THR   8  -4.450  -1.497  -7.755
   43    HA   THR   8           HA       THR   8  -4.899  -2.515  -5.043
   44    HB   THR   8           HB       THR   8  -5.151  -4.743  -6.323
   45    HG1  THR   8           1HG      THR   8  -5.922  -4.218  -8.565
   46   1HG2  THR   8          1HG2      THR   8  -7.301  -2.875  -7.180
   47   2HG2  THR   8          2HG2      THR   8  -6.972  -3.015  -5.453
   48   3HG2  THR   8          3HG2      THR   8  -7.417  -4.445  -6.385
   49    H    CYS   9           H        CYS   9  -3.430  -4.012  -4.121
   50    HA   CYS   9           HA       CYS   9  -1.040  -4.668  -5.599
   51   1HB   CYS   9          2HB       CYS   9   0.461  -3.673  -3.896
   52   2HB   CYS   9          1HB       CYS   9  -0.464  -2.469  -4.787
   53    H    PHE  10           H        PHE  10  -1.233  -6.785  -5.293
   54    HA   PHE  10           HA       PHE  10  -1.946  -7.935  -2.761
   55   1HB   PHE  10          2HB       PHE  10  -1.069  -9.122  -5.397
   56   2HB   PHE  10          1HB       PHE  10  -1.430 -10.096  -3.982
   57    HD1  PHE  10           1HD      PHE  10  -3.491 -11.079  -3.973
   58    HD2  PHE  10           2HD      PHE  10  -3.045  -7.286  -5.852
   59    HE1  PHE  10           1HE      PHE  10  -5.870 -11.112  -4.598
   60    HE2  PHE  10           2HE      PHE  10  -5.424  -7.312  -6.478
   61    HZ   PHE  10           HZ       PHE  10  -6.840  -9.226  -5.850
   62    H    LYS  11           H        LYS  11   0.193  -6.354  -2.322
   63    HA   LYS  11           HA       LYS  11   2.042  -8.015  -1.047
   64   1HB   LYS  11          2HB       LYS  11   2.751  -8.356  -3.480
   65   2HB   LYS  11          1HB       LYS  11   3.259  -6.672  -3.469
   66   1HG   LYS  11          2HG       LYS  11   4.832  -7.148  -1.666
   67   2HG   LYS  11          1HG       LYS  11   4.312  -8.833  -1.650
   68   1HD   LYS  11          2HD       LYS  11   6.368  -8.665  -2.889
   69   2HD   LYS  11          1HD       LYS  11   5.057  -9.032  -4.010
   70   1HE   LYS  11          2HE       LYS  11   4.939  -6.677  -4.650
   71   2HE   LYS  11          1HE       LYS  11   6.231  -6.297  -3.512
   72   1HZ   LYS  11          1HZ       LYS  11   6.426  -7.958  -5.962
   73   2HZ   LYS  11          2HZ       LYS  11   7.653  -7.865  -4.802
   74   3HZ   LYS  11          3HZ       LYS  11   7.192  -6.480  -5.655
   75    H    PHE  12           H        PHE  12   3.701  -5.435  -2.499
   76    HA   PHE  12           HA       PHE  12   2.767  -3.388  -0.683
   77   1HB   PHE  12          2HB       PHE  12   4.441  -4.798   0.599
   78   2HB   PHE  12          1HB       PHE  12   5.657  -4.258  -0.553
   79    HD1  PHE  12           1HD      PHE  12   7.083  -2.815   0.530
   80    HD2  PHE  12           2HD      PHE  12   2.892  -2.449   1.176
   81    HE1  PHE  12           1HE      PHE  12   7.472  -0.806   1.896
   82    HE2  PHE  12           2HE      PHE  12   3.273  -0.439   2.541
   83    HZ   PHE  12           HZ       PHE  12   5.566   0.386   2.902
   84    H    LYS  13           H        LYS  13   2.276  -2.247  -2.582
   85    HA   LYS  13           HA       LYS  13   4.548  -1.537  -4.295
   86   1HB   LYS  13          2HB       LYS  13   1.590  -1.129  -4.723
   87   2HB   LYS  13          1HB       LYS  13   2.832  -0.548  -5.815
   88   1HG   LYS  13          2HG       LYS  13   3.544  -2.990  -6.024
   89   2HG   LYS  13          1HG       LYS  13   1.994  -3.368  -5.263
   90   1HD   LYS  13          2HD       LYS  13   2.486  -1.942  -7.873
   91   2HD   LYS  13          1HD       LYS  13   1.622  -3.457  -7.609
   92   1HE   LYS  13          2HE       LYS  13  -0.152  -2.281  -6.449
   93   2HE   LYS  13          1HE       LYS  13   0.731  -0.762  -6.581
   94   1HZ   LYS  13          1HZ       LYS  13   0.471  -1.797  -9.150
   95   2HZ   LYS  13          2HZ       LYS  13  -0.266  -0.412  -8.507
   96   3HZ   LYS  13          3HZ       LYS  13  -1.050  -1.914  -8.416
   97    H    CYS  14           H        CYS  14   1.785  -0.012  -2.714
   98    HA   CYS  14           HA       CYS  14   2.974   2.601  -3.007
   99   1HB   CYS  14          2HB       CYS  14   0.413   1.871  -1.587
  100   2HB   CYS  14          1HB       CYS  14   0.877   3.447  -2.219
  101    H    TYR  15           H        TYR  15   3.802   3.839  -1.446
  102    HA   TYR  15           HA       TYR  15   3.553   3.206   1.344
  103   1HB   TYR  15          2HB       TYR  15   6.176   3.261   1.520
  104   2HB   TYR  15          1HB       TYR  15   5.346   1.752   1.170
  105    HD1  TYR  15           1HD      TYR  15   6.152   0.449  -0.548
  106    HD2  TYR  15           2HD      TYR  15   6.867   4.648  -0.658
  107    HE1  TYR  15           1HE      TYR  15   7.529   0.162  -2.566
  108    HE2  TYR  15           2HE      TYR  15   8.237   4.368  -2.681
  109    HH   TYR  15           HH       TYR  15   8.330   1.426  -4.443
  110    H    THR  16           H        THR  16   2.830   5.245  -0.410
  111    HA   THR  16           HA       THR  16   4.555   7.527   0.146
  112    HB   THR  16           HB       THR  16   1.914   7.603  -1.314
  113    HG1  THR  16           1HG      THR  16   4.294   7.091  -2.726
  114   1HG2  THR  16          1HG2      THR  16   3.133   9.306  -2.677
  115   2HG2  THR  16          2HG2      THR  16   4.501   9.141  -1.575
  116   3HG2  THR  16          3HG2      THR  16   2.956   9.747  -0.979
  117    HA   PRO  17           HA       PRO  17   2.283   8.810   3.760
  118   1HB   PRO  17          2HB       PRO  17   2.214  11.513   2.497
  119   2HB   PRO  17          1HB       PRO  17   2.733  11.043   4.120
  120   1HG   PRO  17          2HG       PRO  17   4.524  11.639   2.243
  121   2HG   PRO  17          1HG       PRO  17   4.811  10.316   3.390
  122   1HD   PRO  17          2HD       PRO  17   4.024  10.199   0.516
  123   2HD   PRO  17          1HD       PRO  17   5.060   9.101   1.451
  124    H    ARG  18           H        ARG  18   0.239   8.301   4.005
  125    HA   ARG  18           HA       ARG  18  -2.011   8.269   3.931
  126   1HB   ARG  18          2HB       ARG  18  -1.802  10.746   3.819
  127   2HB   ARG  18          1HB       ARG  18  -1.800  10.633   2.071
  128   1HG   ARG  18          2HG       ARG  18  -3.984  11.266   2.714
  129   2HG   ARG  18          1HG       ARG  18  -4.079   9.574   2.239
  130   1HD   ARG  18          2HD       ARG  18  -3.895  10.591   5.077
  131   2HD   ARG  18          1HD       ARG  18  -5.373  10.067   4.280
  132    HE   ARG  18           HE       ARG  18  -3.499   8.420   5.574
  133   1HH1  ARG  18          1HH1      ARG  18  -5.506   8.442   2.693
  134   2HH1  ARG  18          2HH1      ARG  18  -5.533   6.708   2.559
  135   1HH2  ARG  18          1HH2      ARG  18  -3.589   6.124   5.376
  136   2HH2  ARG  18          2HH2      ARG  18  -4.467   5.419   4.048
  137    H    CYS  19           H        CYS  19  -0.162   7.037   1.867
  138    HA   CYS  19           HA       CYS  19  -2.236   5.882   0.235
  139   1HB   CYS  19          2HB       CYS  19  -0.126   7.683  -0.814
  140   2HB   CYS  19          1HB       CYS  19  -0.425   6.209  -1.713
  141    H    SER  20           H        SER  20  -1.537   4.250   1.865
  142    HA   SER  20           HA       SER  20   1.030   2.998   1.168
  143   1HB   SER  20          2HB       SER  20  -0.598   2.267   3.564
  144   2HB   SER  20          1HB       SER  20   1.136   2.115   3.317
  145    HG   SER  20           HG       SER  20   0.377   4.685   3.080
  146    H    CYS  21           H        CYS  21   1.215   0.843   0.820
  147    HA   CYS  21           HA       CYS  21  -1.033  -0.338  -0.506
  148   1HB   CYS  21          2HB       CYS  21   1.131  -0.648  -1.504
  149   2HB   CYS  21          1HB       CYS  21   1.776  -1.353  -0.027
  150    H    SER  22           H        SER  22  -2.542  -0.726   1.013
  151    HA   SER  22           HA       SER  22  -1.890  -2.509   3.231
  152   1HB   SER  22          2HB       SER  22  -3.250  -0.632   3.888
  153   2HB   SER  22          1HB       SER  22  -4.344  -0.873   2.529
  154    HG   SER  22           HG       SER  22  -3.988  -2.725   4.654
  155    H    TYR  23           H        TYR  23  -1.400  -4.207   1.818
  156    HA   TYR  23           HA       TYR  23  -2.604  -5.235  -0.285
  157   1HB   TYR  23          2HB       TYR  23  -1.671  -7.328   0.175
  158   2HB   TYR  23          1HB       TYR  23  -0.649  -6.198   1.049
  159    HD1  TYR  23           1HD      TYR  23  -3.204  -8.818   1.371
  160    HD2  TYR  23           2HD      TYR  23  -0.537  -6.237   3.456
  161    HE1  TYR  23           1HE      TYR  23  -3.548 -10.128   3.428
  162    HE2  TYR  23           2HE      TYR  23  -0.876  -7.537   5.515
  163    HH   TYR  23           HH       TYR  23  -3.361  -9.661   5.960
  164    HA   PRO  24           HA       PRO  24  -3.227  -6.176  -1.439
  165   1HB   PRO  24          2HB       PRO  24  -5.033  -7.110  -3.137
  166   2HB   PRO  24          1HB       PRO  24  -4.333  -8.165  -1.910
  167   1HG   PRO  24          2HG       PRO  24  -7.044  -6.970  -2.042
  168   2HG   PRO  24          1HG       PRO  24  -6.513  -8.471  -1.269
  169   1HD   PRO  24          2HD       PRO  24  -6.899  -5.882  -0.059
  170   2HD   PRO  24          1HD       PRO  24  -6.396  -7.394   0.724
  171    H    VAL  25           H        VAL  25  -4.521  -3.652  -0.420
  172    HA   VAL  25           HA       VAL  25  -4.901  -2.402  -3.039
  173    HB   VAL  25           HB       VAL  25  -6.925  -1.733  -0.933
  174   1HG1  VAL  25          1HG1      VAL  25  -8.027  -1.395  -3.441
  175   2HG1  VAL  25          2HG1      VAL  25  -6.343  -0.909  -3.637
  176   3HG1  VAL  25          3HG1      VAL  25  -7.347  -0.139  -2.407
  177   1HG2  VAL  25          1HG2      VAL  25  -8.456  -3.316  -1.548
  178   2HG2  VAL  25          2HG2      VAL  25  -6.969  -4.243  -1.750
  179   3HG2  VAL  25          3HG2      VAL  25  -7.759  -3.525  -3.155
  180    H    CYS  26           H        CYS  26  -4.185  -0.345  -3.090
  181    HA   CYS  26           HA       CYS  26  -2.738   0.677  -0.847
  182   1HB   CYS  26          2HB       CYS  26  -3.376   1.808  -3.581
  183   2HB   CYS  26          1HB       CYS  26  -2.290   2.557  -2.432
  184    H    LYS  27           H        LYS  27  -3.470   2.134   0.661
  185    HA   LYS  27           HA       LYS  27  -5.699   3.854   0.058
  186   1HB   LYS  27          2HB       LYS  27  -6.986   3.078   2.006
  187   2HB   LYS  27          1HB       LYS  27  -6.861   1.848   0.766
  188   1HG   LYS  27          2HG       LYS  27  -5.062   0.778   2.072
  189   2HG   LYS  27          1HG       LYS  27  -5.291   1.991   3.333
  190   1HD   LYS  27          2HD       LYS  27  -6.494   0.036   3.989
  191   2HD   LYS  27          1HD       LYS  27  -7.678   1.246   3.495
  192   1HE   LYS  27          2HE       LYS  27  -8.339  -0.862   2.576
  193   2HE   LYS  27          1HE       LYS  27  -7.760   0.154   1.257
  194   1HZ   LYS  27          1HZ       LYS  27  -6.975  -2.243   1.310
  195   2HZ   LYS  27          2HZ       LYS  27  -5.991  -1.796   2.611
  196   3HZ   LYS  27          3HZ       LYS  27  -5.783  -1.061   1.098
  Start of MODEL   19
    1   1H    SER   1          1HT       SER   1  -4.843   6.558   2.028
    2   2H    SER   1          2HT       SER   1  -5.334   8.158   2.301
    3   3H    SER   1          3HT       SER   1  -3.711   7.823   1.958
    4    HA   SER   1           HA       SER   1  -4.725   6.786  -0.193
    5   1HB   SER   1          2HB       SER   1  -6.686   8.991   0.465
    6   2HB   SER   1          1HB       SER   1  -6.754   7.851  -0.880
    7    HG   SER   1           HG       SER   1  -6.769   6.229   1.010
    8    H    ALA   2           H        ALA   2  -3.537   7.639  -1.776
    9    HA   ALA   2           HA       ALA   2  -3.007  10.511  -1.845
   10   1HB   ALA   2          1HB       ALA   2  -1.056   8.503  -1.118
   11   2HB   ALA   2          2HB       ALA   2  -0.931  10.262  -1.070
   12   3HB   ALA   2          3HB       ALA   2  -0.565   9.391  -2.560
   13    H    ILE   3           H        ILE   3  -1.856  11.067  -3.941
   14    HA   ILE   3           HA       ILE   3  -3.387  10.213  -6.107
   15    HB   ILE   3           HB       ILE   3  -0.671  11.533  -6.205
   16   1HG1  ILE   3          2HG1      ILE   3  -3.433  12.773  -6.111
   17   2HG1  ILE   3          1HG1      ILE   3  -2.271  12.766  -4.789
   18   1HG2  ILE   3          1HG2      ILE   3  -2.800  11.052  -8.237
   19   2HG2  ILE   3          2HG2      ILE   3  -1.048  10.931  -8.392
   20   3HG2  ILE   3          3HG2      ILE   3  -1.821  12.516  -8.341
   21   1HD1  ILE   3          1HD1      ILE   3  -2.561  14.652  -6.867
   22   2HD1  ILE   3          2HD1      ILE   3  -1.005  13.854  -7.085
   23   3HD1  ILE   3          3HD1      ILE   3  -1.385  14.639  -5.552
   24    H    SER   4           H        SER   4  -0.093   9.298  -5.144
   25    HA   SER   4           HA       SER   4   0.295   7.561  -7.367
   26   1HB   SER   4          2HB       SER   4   1.859   7.765  -4.797
   27   2HB   SER   4          1HB       SER   4   2.398   7.078  -6.320
   28    HG   SER   4           HG       SER   4   2.197   9.163  -7.249
   29    H    CYS   5           H        CYS   5  -2.059   6.779  -6.026
   30    HA   CYS   5           HA       CYS   5  -1.316   4.096  -5.241
   31   1HB   CYS   5          2HB       CYS   5  -3.294   5.843  -3.738
   32   2HB   CYS   5          1HB       CYS   5  -2.943   4.163  -3.414
   33    H    GLY   6           H        GLY   6  -4.484   4.565  -4.591
   34   1HA   GLY   6          2HA       GLY   6  -6.433   3.910  -5.610
   35   2HA   GLY   6          1HA       GLY   6  -5.863   4.899  -6.938
   36    H    GLU   7           H        GLU   7  -4.639   1.803  -5.676
   37    HA   GLU   7           HA       GLU   7  -5.585   0.394  -8.021
   38   1HB   GLU   7          2HB       GLU   7  -3.466  -0.228  -8.889
   39   2HB   GLU   7          1HB       GLU   7  -3.364   1.510  -8.634
   40   1HG   GLU   7          2HG       GLU   7  -2.094   1.227  -6.648
   41   2HG   GLU   7          1HG       GLU   7  -2.390  -0.508  -6.635
   42    H    THR   8           H        THR   8  -4.716  -1.939  -7.930
   43    HA   THR   8           HA       THR   8  -4.990  -2.876  -5.178
   44    HB   THR   8           HB       THR   8  -5.132  -5.149  -6.298
   45    HG1  THR   8           1HG      THR   8  -4.177  -4.175  -8.324
   46   1HG2  THR   8          1HG2      THR   8  -7.137  -4.052  -5.528
   47   2HG2  THR   8          2HG2      THR   8  -7.462  -4.769  -7.106
   48   3HG2  THR   8          3HG2      THR   8  -7.183  -3.033  -6.966
   49    H    CYS   9           H        CYS   9  -3.396  -4.087  -4.162
   50    HA   CYS   9           HA       CYS   9  -1.007  -4.806  -5.605
   51   1HB   CYS   9          2HB       CYS   9   0.475  -3.553  -4.041
   52   2HB   CYS   9          1HB       CYS   9  -0.500  -2.502  -5.061
   53    H    PHE  10           H        PHE  10  -0.995  -6.853  -5.044
   54    HA   PHE  10           HA       PHE  10  -1.913  -7.908  -2.605
   55   1HB   PHE  10          2HB       PHE  10  -0.244  -9.057  -4.833
   56   2HB   PHE  10          1HB       PHE  10  -0.676  -9.994  -3.412
   57    HD1  PHE  10           1HD      PHE  10  -2.405 -11.452  -3.752
   58    HD2  PHE  10           2HD      PHE  10  -2.468  -7.701  -5.761
   59    HE1  PHE  10           1HE      PHE  10  -4.551 -12.050  -4.797
   60    HE2  PHE  10           2HE      PHE  10  -4.614  -8.291  -6.806
   61    HZ   PHE  10           HZ       PHE  10  -5.659 -10.468  -6.325
   62    H    LYS  11           H        LYS  11   1.226  -6.821  -3.674
   63    HA   LYS  11           HA       LYS  11   2.498  -7.825  -1.246
   64   1HB   LYS  11          2HB       LYS  11   3.671  -6.448  -3.674
   65   2HB   LYS  11          1HB       LYS  11   4.607  -7.015  -2.299
   66   1HG   LYS  11          2HG       LYS  11   3.801  -9.315  -2.769
   67   2HG   LYS  11          1HG       LYS  11   3.019  -8.698  -4.224
   68   1HD   LYS  11          2HD       LYS  11   5.974  -8.514  -3.635
   69   2HD   LYS  11          1HD       LYS  11   5.227  -9.729  -4.671
   70   1HE   LYS  11          2HE       LYS  11   4.402  -7.934  -6.142
   71   2HE   LYS  11          1HE       LYS  11   5.201  -6.743  -5.116
   72   1HZ   LYS  11          1HZ       LYS  11   6.623  -8.942  -6.518
   73   2HZ   LYS  11          2HZ       LYS  11   7.322  -7.644  -5.688
   74   3HZ   LYS  11          3HZ       LYS  11   6.478  -7.370  -7.129
   75    H    PHE  12           H        PHE  12   4.272  -5.241  -2.067
   76    HA   PHE  12           HA       PHE  12   2.741  -3.292  -0.495
   77   1HB   PHE  12          2HB       PHE  12   5.649  -4.040  -0.095
   78   2HB   PHE  12          1HB       PHE  12   4.915  -2.592   0.579
   79    HD1  PHE  12           1HD      PHE  12   4.667  -6.300   0.589
   80    HD2  PHE  12           2HD      PHE  12   3.839  -2.660   2.632
   81    HE1  PHE  12           1HE      PHE  12   3.966  -7.577   2.571
   82    HE2  PHE  12           2HE      PHE  12   3.137  -3.931   4.619
   83    HZ   PHE  12           HZ       PHE  12   3.200  -6.393   4.590
   84    H    LYS  13           H        LYS  13   2.274  -2.473  -2.643
   85    HA   LYS  13           HA       LYS  13   4.515  -1.431  -4.140
   86   1HB   LYS  13          2HB       LYS  13   2.544  -2.575  -5.215
   87   2HB   LYS  13          1HB       LYS  13   1.586  -1.166  -4.797
   88   1HG   LYS  13          2HG       LYS  13   4.059  -0.975  -6.496
   89   2HG   LYS  13          1HG       LYS  13   2.467  -1.312  -7.173
   90   1HD   LYS  13          2HD       LYS  13   1.663   0.807  -6.084
   91   2HD   LYS  13          1HD       LYS  13   3.342   1.153  -5.671
   92   1HE   LYS  13          2HE       LYS  13   2.799   2.336  -7.681
   93   2HE   LYS  13          1HE       LYS  13   3.902   1.024  -8.089
   94   1HZ   LYS  13          1HZ       LYS  13   2.384   0.105  -9.412
   95   2HZ   LYS  13          2HZ       LYS  13   1.500   1.536  -9.277
   96   3HZ   LYS  13          3HZ       LYS  13   1.153   0.232  -8.256
   97    H    CYS  14           H        CYS  14   1.585  -0.066  -2.671
   98    HA   CYS  14           HA       CYS  14   2.622   2.601  -3.086
   99   1HB   CYS  14          2HB       CYS  14   0.071   1.669  -1.762
  100   2HB   CYS  14          1HB       CYS  14   0.482   3.345  -2.112
  101    H    TYR  15           H        TYR  15   3.569   3.841  -1.677
  102    HA   TYR  15           HA       TYR  15   3.307   3.473   1.167
  103   1HB   TYR  15          2HB       TYR  15   5.899   3.460   1.373
  104   2HB   TYR  15          1HB       TYR  15   5.071   1.947   1.027
  105    HD1  TYR  15           1HD      TYR  15   6.577   4.813  -0.870
  106    HD2  TYR  15           2HD      TYR  15   5.995   0.603  -0.588
  107    HE1  TYR  15           1HE      TYR  15   7.988   4.490  -2.857
  108    HE2  TYR  15           2HE      TYR  15   7.411   0.273  -2.573
  109    HH   TYR  15           HH       TYR  15   8.556   1.252  -4.199
  110    H    THR  16           H        THR  16   2.748   5.371  -0.937
  111    HA   THR  16           HA       THR  16   4.499   7.616  -0.726
  112    HB   THR  16           HB       THR  16   1.609   7.718  -1.589
  113    HG1  THR  16           1HG      THR  16   3.691   6.969  -3.356
  114   1HG2  THR  16          1HG2      THR  16   2.953   9.810  -1.549
  115   2HG2  THR  16          2HG2      THR  16   2.398   9.375  -3.166
  116   3HG2  THR  16          3HG2      THR  16   4.071   9.074  -2.697
  117    HA   PRO  17           HA       PRO  17   3.334   9.364   3.185
  118   1HB   PRO  17          2HB       PRO  17   2.734  11.955   2.137
  119   2HB   PRO  17          1HB       PRO  17   4.204  11.433   2.960
  120   1HG   PRO  17          2HG       PRO  17   3.648  11.685   0.063
  121   2HG   PRO  17          1HG       PRO  17   5.189  11.804   0.931
  122   1HD   PRO  17          2HD       PRO  17   4.596   9.668  -0.575
  123   2HD   PRO  17          1HD       PRO  17   5.496   9.500   0.949
  124    H    ARG  18           H        ARG  18   1.505   9.193   4.228
  125    HA   ARG  18           HA       ARG  18  -0.667   9.224   4.841
  126   1HB   ARG  18          2HB       ARG  18  -0.455  11.599   3.948
  127   2HB   ARG  18          1HB       ARG  18  -1.191  11.002   2.476
  128   1HG   ARG  18          2HG       ARG  18  -3.134  10.239   3.928
  129   2HG   ARG  18          1HG       ARG  18  -2.406  11.202   5.214
  130   1HD   ARG  18          2HD       ARG  18  -4.045  12.560   4.147
  131   2HD   ARG  18          1HD       ARG  18  -2.462  13.161   3.655
  132    HE   ARG  18           HE       ARG  18  -3.386  11.272   1.775
  133   1HH1  ARG  18          1HH1      ARG  18  -3.972  14.550   2.846
  134   2HH1  ARG  18          2HH1      ARG  18  -4.629  15.067   1.329
  135   1HH2  ARG  18          1HH2      ARG  18  -4.246  11.935  -0.221
  136   2HH2  ARG  18          2HH2      ARG  18  -4.782  13.573  -0.430
  137    H    CYS  19           H        CYS  19   0.434   7.327   2.799
  138    HA   CYS  19           HA       CYS  19  -2.100   6.130   2.065
  139   1HB   CYS  19          2HB       CYS  19  -1.399   7.622   0.117
  140   2HB   CYS  19          1HB       CYS  19  -0.026   6.541  -0.095
  141    H    SER  20           H        SER  20  -1.908   3.864   1.678
  142    HA   SER  20           HA       SER  20   0.742   2.697   1.854
  143   1HB   SER  20          2HB       SER  20  -0.309   1.188   3.762
  144   2HB   SER  20          1HB       SER  20   0.552   2.680   4.121
  145    HG   SER  20           HG       SER  20  -2.009   3.245   3.591
  146    H    CYS  21           H        CYS  21   0.898   0.617   1.229
  147    HA   CYS  21           HA       CYS  21  -1.279  -0.308  -0.418
  148   1HB   CYS  21          2HB       CYS  21   0.929  -0.586  -1.335
  149   2HB   CYS  21          1HB       CYS  21   1.495  -1.440   0.092
  150    H    SER  22           H        SER  22  -2.901  -0.821   0.911
  151    HA   SER  22           HA       SER  22  -2.499  -2.614   3.160
  152   1HB   SER  22          2HB       SER  22  -4.045  -0.620   3.295
  153   2HB   SER  22          1HB       SER  22  -5.069  -1.393   2.088
  154    HG   SER  22           HG       SER  22  -4.975  -3.237   3.736
  155    H    TYR  23           H        TYR  23  -1.725  -4.279   1.775
  156    HA   TYR  23           HA       TYR  23  -2.669  -5.423  -0.397
  157   1HB   TYR  23          2HB       TYR  23  -1.592  -7.393   0.167
  158   2HB   TYR  23          1HB       TYR  23  -0.806  -6.220   1.211
  159    HD1  TYR  23           1HD      TYR  23  -0.965  -6.394   3.595
  160    HD2  TYR  23           2HD      TYR  23  -3.207  -9.012   1.098
  161    HE1  TYR  23           1HE      TYR  23  -1.453  -7.819   5.537
  162    HE2  TYR  23           2HE      TYR  23  -3.707 -10.441   3.037
  163    HH   TYR  23           HH       TYR  23  -3.838 -10.061   5.617
  164    HA   PRO  24           HA       PRO  24  -3.180  -6.290  -1.607
  165   1HB   PRO  24          2HB       PRO  24  -4.798  -7.294  -3.451
  166   2HB   PRO  24          1HB       PRO  24  -4.114  -8.333  -2.199
  167   1HG   PRO  24          2HG       PRO  24  -6.886  -7.331  -2.505
  168   2HG   PRO  24          1HG       PRO  24  -6.302  -8.796  -1.698
  169   1HD   PRO  24          2HD       PRO  24  -6.944  -6.231  -0.521
  170   2HD   PRO  24          1HD       PRO  24  -6.436  -7.724   0.298
  171    H    VAL  25           H        VAL  25  -4.543  -3.827  -0.684
  172    HA   VAL  25           HA       VAL  25  -4.979  -2.632  -3.325
  173    HB   VAL  25           HB       VAL  25  -6.974  -1.994  -1.182
  174   1HG1  VAL  25          1HG1      VAL  25  -6.628  -0.440  -3.066
  175   2HG1  VAL  25          2HG1      VAL  25  -8.270  -1.074  -2.970
  176   3HG1  VAL  25          3HG1      VAL  25  -7.146  -1.715  -4.169
  177   1HG2  VAL  25          1HG2      VAL  25  -7.677  -4.153  -1.392
  178   2HG2  VAL  25          2HG2      VAL  25  -7.031  -4.320  -3.025
  179   3HG2  VAL  25          3HG2      VAL  25  -8.535  -3.438  -2.758
  180    H    CYS  26           H        CYS  26  -4.379  -0.523  -3.435
  181    HA   CYS  26           HA       CYS  26  -2.885   0.597  -1.267
  182   1HB   CYS  26          2HB       CYS  26  -3.681   1.628  -3.993
  183   2HB   CYS  26          1HB       CYS  26  -2.663   2.513  -2.876
  184    H    LYS  27           H        LYS  27  -3.593   2.059   0.214
  185    HA   LYS  27           HA       LYS  27  -6.022   3.580  -0.297
  186   1HB   LYS  27          2HB       LYS  27  -6.940   1.563   0.618
  187   2HB   LYS  27          1HB       LYS  27  -5.720   1.501   1.877
  188   1HG   LYS  27          2HG       LYS  27  -6.750   3.665   2.749
  189   2HG   LYS  27          1HG       LYS  27  -8.103   3.308   1.670
  190   1HD   LYS  27          2HD       LYS  27  -8.538   2.442   3.910
  191   2HD   LYS  27          1HD       LYS  27  -8.375   1.121   2.750
  192   1HE   LYS  27          2HE       LYS  27  -5.943   0.987   3.457
  193   2HE   LYS  27          1HE       LYS  27  -6.367   2.067   4.783
  194   1HZ   LYS  27          1HZ       LYS  27  -6.684  -0.716   4.627
  195   2HZ   LYS  27          2HZ       LYS  27  -8.221  -0.015   4.753
  196   3HZ   LYS  27          3HZ       LYS  27  -7.044   0.316   5.921
  Start of MODEL   20
    1   1H    SER   1          1HT       SER   1  -3.672   7.777   1.030
    2   2H    SER   1          2HT       SER   1  -4.771   6.481   0.954
    3   3H    SER   1          3HT       SER   1  -5.235   8.028   0.433
    4    HA   SER   1           HA       SER   1  -3.229   6.264  -0.827
    5   1HB   SER   1          2HB       SER   1  -5.827   5.974  -1.078
    6   2HB   SER   1          1HB       SER   1  -5.708   7.404  -2.102
    7    HG   SER   1           HG       SER   1  -5.016   4.825  -2.626
    8    H    ALA   2           H        ALA   2  -1.755   7.247  -2.081
    9    HA   ALA   2           HA       ALA   2  -1.923  10.162  -2.340
   10   1HB   ALA   2          1HB       ALA   2   0.110   8.954  -1.330
   11   2HB   ALA   2          2HB       ALA   2   0.406  10.207  -2.536
   12   3HB   ALA   2          3HB       ALA   2   0.492   8.505  -2.993
   13    H    ILE   3           H        ILE   3  -0.433  10.706  -4.482
   14    HA   ILE   3           HA       ILE   3  -2.146  10.239  -6.648
   15    HB   ILE   3           HB       ILE   3   0.739  11.140  -6.723
   16   1HG1  ILE   3          2HG1      ILE   3  -0.612  12.598  -5.302
   17   2HG1  ILE   3          1HG1      ILE   3  -0.197  13.424  -6.799
   18   1HG2  ILE   3          1HG2      ILE   3   0.282  10.619  -8.921
   19   2HG2  ILE   3          2HG2      ILE   3  -0.189  12.318  -8.848
   20   3HG2  ILE   3          3HG2      ILE   3  -1.421  11.056  -8.783
   21   1HD1  ILE   3          1HD1      ILE   3  -2.352  13.940  -6.932
   22   2HD1  ILE   3          2HD1      ILE   3  -2.793  12.765  -5.693
   23   3HD1  ILE   3          3HD1      ILE   3  -2.622  12.253  -7.373
   24    H    SER   4           H        SER   4   0.947   8.788  -5.727
   25    HA   SER   4           HA       SER   4   1.018   7.034  -7.990
   26   1HB   SER   4          2HB       SER   4   2.683   6.997  -5.472
   27   2HB   SER   4          1HB       SER   4   3.067   6.265  -7.020
   28    HG   SER   4           HG       SER   4   3.686   8.139  -7.774
   29    H    CYS   5           H        CYS   5  -1.360   6.705  -6.395
   30    HA   CYS   5           HA       CYS   5  -1.045   3.914  -5.669
   31   1HB   CYS   5          2HB       CYS   5  -2.598   5.945  -4.038
   32   2HB   CYS   5          1HB       CYS   5  -2.389   4.246  -3.687
   33    H    GLY   6           H        GLY   6  -3.989   4.976  -4.728
   34   1HA   GLY   6          2HA       GLY   6  -6.117   4.732  -5.528
   35   2HA   GLY   6          1HA       GLY   6  -5.495   5.532  -6.952
   36    H    GLU   7           H        GLU   7  -4.719   2.266  -5.738
   37    HA   GLU   7           HA       GLU   7  -6.394   0.965  -7.630
   38   1HB   GLU   7          2HB       GLU   7  -4.716   0.020  -9.095
   39   2HB   GLU   7          1HB       GLU   7  -4.716   1.771  -9.195
   40   1HG   GLU   7          2HG       GLU   7  -2.574   1.817  -8.731
   41   2HG   GLU   7          1HG       GLU   7  -2.849   0.983  -7.206
   42    H    THR   8           H        THR   8  -4.918  -1.338  -7.997
   43    HA   THR   8           HA       THR   8  -5.322  -2.609  -5.451
   44    HB   THR   8           HB       THR   8  -4.591  -4.677  -6.721
   45    HG1  THR   8           1HG      THR   8  -3.835  -2.799  -8.509
   46   1HG2  THR   8          1HG2      THR   8  -6.992  -3.573  -6.531
   47   2HG2  THR   8          2HG2      THR   8  -6.707  -4.994  -7.537
   48   3HG2  THR   8          3HG2      THR   8  -6.782  -3.393  -8.273
   49    H    CYS   9           H        CYS   9  -3.708  -3.983  -4.399
   50    HA   CYS   9           HA       CYS   9  -0.945  -3.513  -5.117
   51   1HB   CYS   9          2HB       CYS   9  -1.580  -1.567  -3.678
   52   2HB   CYS   9          1HB       CYS   9  -1.908  -2.703  -2.372
   53    H    PHE  10           H        PHE  10  -0.942  -5.756  -5.449
   54    HA   PHE  10           HA       PHE  10  -1.549  -7.531  -3.262
   55   1HB   PHE  10          2HB       PHE  10  -0.523  -7.967  -6.065
   56   2HB   PHE  10          1HB       PHE  10  -0.719  -9.274  -4.912
   57    HD1  PHE  10           1HD      PHE  10  -2.593 -10.537  -5.225
   58    HD2  PHE  10           2HD      PHE  10  -2.773  -6.372  -6.084
   59    HE1  PHE  10           1HE      PHE  10  -4.947 -10.780  -5.899
   60    HE2  PHE  10           2HE      PHE  10  -5.127  -6.608  -6.754
   61    HZ   PHE  10           HZ       PHE  10  -6.217  -8.814  -6.663
   62    H    LYS  11           H        LYS  11   0.386  -5.838  -2.393
   63    HA   LYS  11           HA       LYS  11   2.375  -7.532  -1.431
   64   1HB   LYS  11          2HB       LYS  11   3.140  -7.270  -3.878
   65   2HB   LYS  11          1HB       LYS  11   3.550  -5.616  -3.448
   66   1HG   LYS  11          2HG       LYS  11   5.183  -6.331  -1.888
   67   2HG   LYS  11          1HG       LYS  11   4.631  -8.003  -1.974
   68   1HD   LYS  11          2HD       LYS  11   6.673  -7.778  -3.232
   69   2HD   LYS  11          1HD       LYS  11   5.339  -8.071  -4.347
   70   1HE   LYS  11          2HE       LYS  11   5.241  -5.693  -4.872
   71   2HE   LYS  11          1HE       LYS  11   6.539  -5.374  -3.721
   72   1HZ   LYS  11          1HZ       LYS  11   7.734  -5.513  -5.632
   73   2HZ   LYS  11          2HZ       LYS  11   6.668  -6.594  -6.377
   74   3HZ   LYS  11          3HZ       LYS  11   7.756  -7.152  -5.207
   75    H    PHE  12           H        PHE  12   3.884  -4.616  -2.200
   76    HA   PHE  12           HA       PHE  12   2.652  -3.039  -0.122
   77   1HB   PHE  12          2HB       PHE  12   4.928  -2.713   1.017
   78   2HB   PHE  12          1HB       PHE  12   4.069  -4.210   1.343
   79    HD1  PHE  12           1HD      PHE  12   6.492  -2.971  -1.236
   80    HD2  PHE  12           2HD      PHE  12   5.392  -6.056   1.481
   81    HE1  PHE  12           1HE      PHE  12   8.475  -4.263  -1.906
   82    HE2  PHE  12           2HE      PHE  12   7.373  -7.353   0.815
   83    HZ   PHE  12           HZ       PHE  12   8.918  -6.457  -0.880
   84    H    LYS  13           H        LYS  13   2.786  -2.565  -2.857
   85    HA   LYS  13           HA       LYS  13   4.975  -0.702  -3.214
   86   1HB   LYS  13          2HB       LYS  13   4.031  -0.462  -5.571
   87   2HB   LYS  13          1HB       LYS  13   4.709  -2.017  -5.134
   88   1HG   LYS  13          2HG       LYS  13   2.760  -2.496  -6.344
   89   2HG   LYS  13          1HG       LYS  13   2.338  -2.773  -4.657
   90   1HD   LYS  13          2HD       LYS  13   0.516  -1.618  -5.668
   91   2HD   LYS  13          1HD       LYS  13   1.344  -0.469  -4.620
   92   1HE   LYS  13          2HE       LYS  13   0.907   0.730  -6.582
   93   2HE   LYS  13          1HE       LYS  13   2.602   0.269  -6.718
   94   1HZ   LYS  13          1HZ       LYS  13   1.361  -1.790  -7.911
   95   2HZ   LYS  13          2HZ       LYS  13   1.974  -0.448  -8.729
   96   3HZ   LYS  13          3HZ       LYS  13   0.328  -0.513  -8.329
   97    H    CYS  14           H        CYS  14   3.087   0.112  -1.292
   98    HA   CYS  14           HA       CYS  14   2.327   2.633  -2.550
   99   1HB   CYS  14          2HB       CYS  14   0.450   0.923  -0.920
  100   2HB   CYS  14          1HB       CYS  14   0.158   2.622  -1.282
  101    H    TYR  15           H        TYR  15   4.507   2.566  -1.238
  102    HA   TYR  15           HA       TYR  15   4.045   3.251   1.560
  103   1HB   TYR  15          2HB       TYR  15   6.663   3.496   1.410
  104   2HB   TYR  15          1HB       TYR  15   5.922   1.902   1.484
  105    HD1  TYR  15           1HD      TYR  15   6.485   0.313  -0.101
  106    HD2  TYR  15           2HD      TYR  15   7.132   4.425  -0.998
  107    HE1  TYR  15           1HE      TYR  15   7.622  -0.323  -2.188
  108    HE2  TYR  15           2HE      TYR  15   8.263   3.797  -3.089
  109    HH   TYR  15           HH       TYR  15   8.938   2.134  -4.392
  110    H    THR  16           H        THR  16   3.252   4.833  -0.836
  111    HA   THR  16           HA       THR  16   4.845   7.206  -0.885
  112    HB   THR  16           HB       THR  16   2.012   7.285  -1.805
  113    HG1  THR  16           1HG      THR  16   2.200   5.662  -3.186
  114   1HG2  THR  16          1HG2      THR  16   3.868   7.825  -3.861
  115   2HG2  THR  16          2HG2      THR  16   4.508   8.564  -2.394
  116   3HG2  THR  16          3HG2      THR  16   2.890   8.980  -2.955
  117    HA   PRO  17           HA       PRO  17   3.365   9.296   2.749
  118   1HB   PRO  17          2HB       PRO  17   3.050  11.636   0.916
  119   2HB   PRO  17          1HB       PRO  17   3.851  11.541   2.490
  120   1HG   PRO  17          2HG       PRO  17   5.285  11.590   0.253
  121   2HG   PRO  17          1HG       PRO  17   5.755  10.546   1.608
  122   1HD   PRO  17          2HD       PRO  17   4.475   9.826  -0.985
  123   2HD   PRO  17          1HD       PRO  17   5.632   8.907  -0.002
  124    H    ARG  18           H        ARG  18   1.413   9.292   3.636
  125    HA   ARG  18           HA       ARG  18  -0.824   9.352   3.973
  126   1HB   ARG  18          2HB       ARG  18  -0.510  11.679   3.070
  127   2HB   ARG  18          1HB       ARG  18  -0.933  11.062   1.486
  128   1HG   ARG  18          2HG       ARG  18  -2.828  12.165   2.514
  129   2HG   ARG  18          1HG       ARG  18  -3.152  10.442   2.324
  130   1HD   ARG  18          2HD       ARG  18  -3.915  11.194   4.495
  131   2HD   ARG  18          1HD       ARG  18  -2.558  10.087   4.683
  132    HE   ARG  18           HE       ARG  18  -1.423  11.759   5.721
  133   1HH1  ARG  18          1HH1      ARG  18  -3.924  13.248   3.767
  134   2HH1  ARG  18          2HH1      ARG  18  -3.571  14.853   4.308
  135   1HH2  ARG  18          1HH2      ARG  18  -0.958  13.883   6.439
  136   2HH2  ARG  18          2HH2      ARG  18  -1.882  15.215   5.830
  137    H    CYS  19           H        CYS  19   0.326   7.219   2.572
  138    HA   CYS  19           HA       CYS  19  -2.018   6.141   1.245
  139   1HB   CYS  19          2HB       CYS  19  -0.692   7.136  -0.598
  140   2HB   CYS  19          1HB       CYS  19   0.698   6.180  -0.101
  141    H    SER  20           H        SER  20  -2.075   3.860   1.316
  142    HA   SER  20           HA       SER  20   0.178   2.508   2.575
  143   1HB   SER  20          2HB       SER  20  -1.804   1.427   4.056
  144   2HB   SER  20          1HB       SER  20  -0.771   2.745   4.593
  145    HG   SER  20           HG       SER  20  -2.808   3.715   3.134
  146    H    CYS  21           H        CYS  21   0.467   0.549   1.970
  147    HA   CYS  21           HA       CYS  21  -1.459  -0.580   0.099
  148   1HB   CYS  21          2HB       CYS  21   0.740  -0.513  -0.811
  149   2HB   CYS  21          1HB       CYS  21   1.450  -1.256   0.614
  150    H    SER  22           H        SER  22  -2.992  -1.387   1.355
  151    HA   SER  22           HA       SER  22  -2.308  -3.317   3.443
  152   1HB   SER  22          2HB       SER  22  -3.982  -1.532   3.958
  153   2HB   SER  22          1HB       SER  22  -4.996  -2.137   2.651
  154    HG   SER  22           HG       SER  22  -4.783  -4.229   3.920
  155    H    TYR  23           H        TYR  23  -1.457  -4.644   1.699
  156    HA   TYR  23           HA       TYR  23  -2.581  -5.566  -0.524
  157   1HB   TYR  23          2HB       TYR  23  -1.206  -7.450  -0.436
  158   2HB   TYR  23          1HB       TYR  23  -0.378  -6.276   0.574
  159    HD1  TYR  23           1HD      TYR  23  -0.063  -6.671   2.921
  160    HD2  TYR  23           2HD      TYR  23  -2.349  -9.384   0.569
  161    HE1  TYR  23           1HE      TYR  23   0.035  -8.321   4.742
  162    HE2  TYR  23           2HE      TYR  23  -2.263 -11.039   2.388
  163    HH   TYR  23           HH       TYR  23  -1.949 -10.996   4.904
  164    HA   PRO  24           HA       PRO  24  -3.082  -6.535  -1.798
  165   1HB   PRO  24          2HB       PRO  24  -4.846  -7.526  -3.512
  166   2HB   PRO  24          1HB       PRO  24  -3.866  -8.599  -2.511
  167   1HG   PRO  24          2HG       PRO  24  -6.742  -7.903  -2.278
  168   2HG   PRO  24          1HG       PRO  24  -5.902  -9.391  -1.808
  169   1HD   PRO  24          2HD       PRO  24  -6.618  -7.166  -0.141
  170   2HD   PRO  24          1HD       PRO  24  -5.743  -8.639   0.324
  171    H    VAL  25           H        VAL  25  -4.506  -4.394  -0.401
  172    HA   VAL  25           HA       VAL  25  -5.741  -3.096  -2.750
  173    HB   VAL  25           HB       VAL  25  -6.702  -2.575   0.051
  174   1HG1  VAL  25          1HG1      VAL  25  -7.104  -1.242  -2.329
  175   2HG1  VAL  25          2HG1      VAL  25  -8.064  -1.077  -0.860
  176   3HG1  VAL  25          3HG1      VAL  25  -8.575  -2.195  -2.125
  177   1HG2  VAL  25          1HG2      VAL  25  -8.643  -4.001  -0.402
  178   2HG2  VAL  25          2HG2      VAL  25  -7.142  -4.927  -0.396
  179   3HG2  VAL  25          3HG2      VAL  25  -7.911  -4.504  -1.925
  180    H    CYS  26           H        CYS  26  -5.320  -0.928  -2.978
  181    HA   CYS  26           HA       CYS  26  -3.304   0.178  -1.138
  182   1HB   CYS  26          2HB       CYS  26  -2.446  -0.261  -3.405
  183   2HB   CYS  26          1HB       CYS  26  -3.718   0.749  -4.082
  184    H    LYS  27           H        LYS  27  -3.989   1.866   0.028
  185    HA   LYS  27           HA       LYS  27  -5.872   3.759  -1.100
  186   1HB   LYS  27          2HB       LYS  27  -7.283   3.565   0.965
  187   2HB   LYS  27          1HB       LYS  27  -7.381   2.179  -0.107
  188   1HG   LYS  27          2HG       LYS  27  -5.824   0.967   1.332
  189   2HG   LYS  27          1HG       LYS  27  -5.724   2.364   2.403
  190   1HD   LYS  27          2HD       LYS  27  -8.122   2.168   2.868
  191   2HD   LYS  27          1HD       LYS  27  -8.209   0.761   1.804
  192   1HE   LYS  27          2HE       LYS  27  -6.622  -0.421   3.245
  193   2HE   LYS  27          1HE       LYS  27  -6.537   0.985   4.306
  194   1HZ   LYS  27          1HZ       LYS  27  -8.046  -0.486   5.301
  195   2HZ   LYS  27          2HZ       LYS  27  -8.840  -0.813   3.844
  196   3HZ   LYS  27          3HZ       LYS  27  -9.013   0.700   4.578

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1          1HT       SER   1  -6.496   9.519   1.147
    2   2H    SER   1          2HT       SER   1  -7.255   8.284   0.279
    3   3H    SER   1          3HT       SER   1  -6.967   9.781  -0.455
    4    HA   SER   1           HA       SER   1  -4.629   8.474   0.594
    5   1HB   SER   1          2HB       SER   1  -6.169   7.368  -1.768
    6   2HB   SER   1          1HB       SER   1  -4.544   6.872  -1.289
    7    HG   SER   1           HG       SER   1  -5.316   5.832   0.407
    8    H    ALA   2           H        ALA   2  -2.839   8.855  -0.875
    9    HA   ALA   2           HA       ALA   2  -3.046  11.434  -2.118
   10   1HB   ALA   2          1HB       ALA   2  -1.015  10.012  -0.930
   11   2HB   ALA   2          2HB       ALA   2  -0.834  11.516  -1.833
   12   3HB   ALA   2          3HB       ALA   2  -0.587   9.967  -2.640
   13    H    ILE   3           H        ILE   3  -1.344  11.268  -4.255
   14    HA   ILE   3           HA       ILE   3  -3.077  10.429  -6.322
   15    HB   ILE   3           HB       ILE   3  -0.177  11.257  -6.507
   16   1HG1  ILE   3          2HG1      ILE   3  -1.541  12.986  -5.441
   17   2HG1  ILE   3          1HG1      ILE   3  -1.059  13.490  -7.057
   18   1HG2  ILE   3          1HG2      ILE   3  -1.037  11.990  -8.848
   19   2HG2  ILE   3          2HG2      ILE   3  -2.301  10.795  -8.559
   20   3HG2  ILE   3          3HG2      ILE   3  -0.607  10.303  -8.565
   21   1HD1  ILE   3          1HD1      ILE   3  -3.751  12.367  -6.312
   22   2HD1  ILE   3          2HD1      ILE   3  -3.264  12.946  -7.905
   23   3HD1  ILE   3          3HD1      ILE   3  -3.377  14.073  -6.553
   24    H    SER   4           H        SER   4  -0.176   9.055  -4.879
   25    HA   SER   4           HA       SER   4   0.208   7.033  -6.824
   26   1HB   SER   4          2HB       SER   4   1.231   7.188  -3.991
   27   2HB   SER   4          1HB       SER   4   1.883   6.218  -5.302
   28    HG   SER   4           HG       SER   4   2.217   8.267  -6.421
   29    H    CYS   5           H        CYS   5  -2.474   6.886  -5.985
   30    HA   CYS   5           HA       CYS   5  -2.506   4.212  -4.834
   31   1HB   CYS   5          2HB       CYS   5  -4.163   6.597  -4.034
   32   2HB   CYS   5          1HB       CYS   5  -4.790   4.976  -3.853
   33    H    GLY   6           H        GLY   6  -5.577   5.318  -5.290
   34   1HA   GLY   6          2HA       GLY   6  -7.223   4.836  -6.800
   35   2HA   GLY   6          1HA       GLY   6  -6.093   5.501  -7.960
   36    H    GLU   7           H        GLU   7  -5.467   2.502  -6.201
   37    HA   GLU   7           HA       GLU   7  -6.464   0.789  -8.257
   38   1HB   GLU   7          2HB       GLU   7  -4.319  -0.048  -9.087
   39   2HB   GLU   7          1HB       GLU   7  -4.491   1.666  -9.438
   40   1HG   GLU   7          2HG       GLU   7  -2.883   2.282  -7.912
   41   2HG   GLU   7          1HG       GLU   7  -3.078   0.816  -6.956
   42    H    THR   8           H        THR   8  -5.236  -1.443  -8.006
   43    HA   THR   8           HA       THR   8  -5.635  -2.271  -5.272
   44    HB   THR   8           HB       THR   8  -4.918  -4.532  -6.237
   45    HG1  THR   8           1HG      THR   8  -4.015  -3.149  -8.177
   46   1HG2  THR   8          1HG2      THR   8  -7.170  -4.579  -6.118
   47   2HG2  THR   8          2HG2      THR   8  -7.090  -4.375  -7.869
   48   3HG2  THR   8          3HG2      THR   8  -7.340  -2.974  -6.829
   49    H    CYS   9           H        CYS   9  -3.844  -3.676  -4.212
   50    HA   CYS   9           HA       CYS   9  -1.202  -3.022  -5.149
   51   1HB   CYS   9          2HB       CYS   9  -1.967  -1.069  -3.746
   52   2HB   CYS   9          1HB       CYS   9  -1.956  -2.168  -2.366
   53    H    PHE  10           H        PHE  10  -0.452  -4.969  -5.222
   54    HA   PHE  10           HA       PHE  10  -0.991  -6.896  -3.144
   55   1HB   PHE  10          2HB       PHE  10   0.386  -7.026  -5.814
   56   2HB   PHE  10          1HB       PHE  10   0.475  -8.354  -4.669
   57    HD1  PHE  10           1HD      PHE  10  -0.868 -10.089  -5.317
   58    HD2  PHE  10           2HD      PHE  10  -2.290  -6.108  -5.807
   59    HE1  PHE  10           1HE      PHE  10  -3.009 -10.960  -6.155
   60    HE2  PHE  10           2HE      PHE  10  -4.435  -6.973  -6.644
   61    HZ   PHE  10           HZ       PHE  10  -4.797  -9.402  -6.819
   62    H    LYS  11           H        LYS  11   0.338  -7.487  -1.621
   63    HA   LYS  11           HA       LYS  11   2.090  -7.748  -0.253
   64   1HB   LYS  11          2HB       LYS  11   3.322  -8.524  -2.236
   65   2HB   LYS  11          1HB       LYS  11   3.793  -6.868  -2.588
   66   1HG   LYS  11          2HG       LYS  11   5.595  -8.104  -1.510
   67   2HG   LYS  11          1HG       LYS  11   5.048  -6.762  -0.507
   68   1HD   LYS  11          2HD       LYS  11   3.601  -8.413   0.726
   69   2HD   LYS  11          1HD       LYS  11   4.434  -9.691  -0.161
   70   1HE   LYS  11          2HE       LYS  11   5.457  -9.406   2.010
   71   2HE   LYS  11          1HE       LYS  11   6.579  -8.892   0.752
   72   1HZ   LYS  11          1HZ       LYS  11   6.298  -7.415   2.803
   73   2HZ   LYS  11          2HZ       LYS  11   4.830  -6.939   2.112
   74   3HZ   LYS  11          3HZ       LYS  11   6.280  -6.666   1.285
   75    H    PHE  12           H        PHE  12   3.955  -5.256  -1.788
   76    HA   PHE  12           HA       PHE  12   2.969  -3.196  -0.006
   77   1HB   PHE  12          2HB       PHE  12   4.649  -4.557   1.315
   78   2HB   PHE  12          1HB       PHE  12   5.870  -4.027   0.165
   79    HD1  PHE  12           1HD      PHE  12   3.068  -2.204   1.818
   80    HD2  PHE  12           2HD      PHE  12   7.271  -2.554   1.247
   81    HE1  PHE  12           1HE      PHE  12   3.413  -0.157   3.136
   82    HE2  PHE  12           2HE      PHE  12   7.623  -0.506   2.566
   83    HZ   PHE  12           HZ       PHE  12   5.693   0.694   3.513
   84    H    LYS  13           H        LYS  13   2.527  -2.800  -2.423
   85    HA   LYS  13           HA       LYS  13   4.827  -1.752  -3.825
   86   1HB   LYS  13          2HB       LYS  13   3.064  -2.998  -5.045
   87   2HB   LYS  13          1HB       LYS  13   1.913  -1.739  -4.638
   88   1HG   LYS  13          2HG       LYS  13   4.388  -1.056  -6.169
   89   2HG   LYS  13          1HG       LYS  13   3.012  -1.791  -6.989
   90   1HD   LYS  13          2HD       LYS  13   2.852   0.726  -5.329
   91   2HD   LYS  13          1HD       LYS  13   3.062   0.708  -7.079
   92   1HE   LYS  13          2HE       LYS  13   0.756  -0.647  -5.700
   93   2HE   LYS  13          1HE       LYS  13   0.696   1.037  -6.217
   94   1HZ   LYS  13          1HZ       LYS  13   0.053  -1.133  -7.739
   95   2HZ   LYS  13          2HZ       LYS  13   1.587  -0.701  -8.304
   96   3HZ   LYS  13          3HZ       LYS  13   0.329   0.436  -8.311
   97    H    CYS  14           H        CYS  14   1.968  -0.494  -2.230
   98    HA   CYS  14           HA       CYS  14   2.731   2.241  -2.850
   99   1HB   CYS  14          2HB       CYS  14   0.413   1.106  -1.281
  100   2HB   CYS  14          1HB       CYS  14   0.678   2.825  -1.547
  101    H    TYR  15           H        TYR  15   3.891   3.486  -1.575
  102    HA   TYR  15           HA       TYR  15   3.887   3.138   1.297
  103   1HB   TYR  15          2HB       TYR  15   6.487   3.253   1.241
  104   2HB   TYR  15          1HB       TYR  15   5.697   1.701   0.993
  105    HD1  TYR  15           1HD      TYR  15   6.871   4.605  -1.074
  106    HD2  TYR  15           2HD      TYR  15   6.512   0.379  -0.693
  107    HE1  TYR  15           1HE      TYR  15   8.087   4.317  -3.191
  108    HE2  TYR  15           2HE      TYR  15   7.731   0.082  -2.807
  109    HH   TYR  15           HH       TYR  15   8.345   1.229  -4.756
  110    H    THR  16           H        THR  16   3.008   5.004  -0.680
  111    HA   THR  16           HA       THR  16   4.674   7.372  -0.366
  112    HB   THR  16           HB       THR  16   1.995   7.121  -1.758
  113    HG1  THR  16           1HG      THR  16   3.631   6.964  -3.649
  114   1HG2  THR  16          1HG2      THR  16   3.110   8.918  -3.223
  115   2HG2  THR  16          2HG2      THR  16   4.259   9.091  -1.896
  116   3HG2  THR  16          3HG2      THR  16   2.543   9.394  -1.622
  117    HA   PRO  17           HA       PRO  17   2.565   8.925   3.244
  118   1HB   PRO  17          2HB       PRO  17   2.271  11.444   1.656
  119   2HB   PRO  17          1HB       PRO  17   2.848  11.221   3.313
  120   1HG   PRO  17          2HG       PRO  17   4.567  11.658   1.329
  121   2HG   PRO  17          1HG       PRO  17   4.947  10.510   2.626
  122   1HD   PRO  17          2HD       PRO  17   4.150   9.989  -0.193
  123   2HD   PRO  17          1HD       PRO  17   5.212   9.050   0.875
  124    H    ARG  18           H        ARG  18   0.581   8.318   3.680
  125    HA   ARG  18           HA       ARG  18  -1.646   8.036   3.701
  126   1HB   ARG  18          2HB       ARG  18  -1.654  10.517   3.606
  127   2HB   ARG  18          1HB       ARG  18  -1.748  10.419   1.858
  128   1HG   ARG  18          2HG       ARG  18  -3.921  10.878   2.951
  129   2HG   ARG  18          1HG       ARG  18  -3.926   9.415   1.968
  130   1HD   ARG  18          2HD       ARG  18  -3.384   9.295   4.916
  131   2HD   ARG  18          1HD       ARG  18  -5.033   9.360   4.303
  132    HE   ARG  18           HE       ARG  18  -3.739   7.309   2.929
  133   1HH1  ARG  18          1HH1      ARG  18  -4.643   8.050   6.233
  134   2HH1  ARG  18          2HH1      ARG  18  -4.816   6.391   6.694
  135   1HH2  ARG  18          1HH2      ARG  18  -3.965   5.108   3.533
  136   2HH2  ARG  18          2HH2      ARG  18  -4.423   4.719   5.162
  137    H    CYS  19           H        CYS  19  -0.077   6.595   1.904
  138    HA   CYS  19           HA       CYS  19  -2.111   5.595   0.131
  139   1HB   CYS  19          2HB       CYS  19   0.215   7.114  -0.820
  140   2HB   CYS  19          1HB       CYS  19   0.085   5.514  -1.535
  141    H    SER  20           H        SER  20  -1.823   4.124   2.003
  142    HA   SER  20           HA       SER  20   0.651   2.618   2.068
  143   1HB   SER  20          2HB       SER  20  -1.320   1.499   3.798
  144   2HB   SER  20          1HB       SER  20   0.133   2.403   4.223
  145    HG   SER  20           HG       SER  20  -2.436   3.464   3.607
  146    H    CYS  21           H        CYS  21   0.988   0.592   1.440
  147    HA   CYS  21           HA       CYS  21  -0.974  -0.611  -0.291
  148   1HB   CYS  21          2HB       CYS  21   1.487  -0.551  -0.804
  149   2HB   CYS  21          1HB       CYS  21   1.742  -1.728   0.471
  150    H    SER  22           H        SER  22  -2.618  -1.134   1.140
  151    HA   SER  22           HA       SER  22  -2.054  -3.066   3.250
  152   1HB   SER  22          2HB       SER  22  -3.570  -1.131   3.713
  153   2HB   SER  22          1HB       SER  22  -4.672  -1.735   2.476
  154    HG   SER  22           HG       SER  22  -4.935  -3.618   3.727
  155    H    TYR  23           H        TYR  23  -1.393  -4.624   1.686
  156    HA   TYR  23           HA       TYR  23  -2.432  -5.690  -0.481
  157   1HB   TYR  23          2HB       TYR  23  -0.538  -6.679   0.670
  158   2HB   TYR  23          1HB       TYR  23  -1.586  -7.272   1.952
  159    HD1  TYR  23           1HD      TYR  23  -1.816  -9.556   1.903
  160    HD2  TYR  23           2HD      TYR  23  -1.635  -7.455  -1.790
  161    HE1  TYR  23           1HE      TYR  23  -2.100 -11.675   0.690
  162    HE2  TYR  23           2HE      TYR  23  -1.921  -9.567  -3.013
  163    HH   TYR  23           HH       TYR  23  -2.515 -12.607  -1.320
  164    HA   PRO  24           HA       PRO  24  -3.246  -6.189  -1.789
  165   1HB   PRO  24          2HB       PRO  24  -5.111  -6.985  -3.517
  166   2HB   PRO  24          1HB       PRO  24  -4.221  -8.160  -2.542
  167   1HG   PRO  24          2HG       PRO  24  -7.035  -7.307  -2.332
  168   2HG   PRO  24          1HG       PRO  24  -6.263  -8.781  -1.730
  169   1HD   PRO  24          2HD       PRO  24  -6.831  -6.297  -0.306
  170   2HD   PRO  24          1HD       PRO  24  -6.280  -7.856   0.347
  171    H    VAL  25           H        VAL  25  -4.579  -3.929  -0.387
  172    HA   VAL  25           HA       VAL  25  -5.588  -2.550  -2.795
  173    HB   VAL  25           HB       VAL  25  -6.762  -1.981  -0.094
  174   1HG1  VAL  25          1HG1      VAL  25  -6.890  -0.430  -2.162
  175   2HG1  VAL  25          2HG1      VAL  25  -8.339  -0.717  -1.197
  176   3HG1  VAL  25          3HG1      VAL  25  -8.111  -1.573  -2.722
  177   1HG2  VAL  25          1HG2      VAL  25  -7.115  -4.413  -1.341
  178   2HG2  VAL  25          2HG2      VAL  25  -8.514  -3.477  -1.869
  179   3HG2  VAL  25          3HG2      VAL  25  -8.198  -3.694  -0.147
  180    H    CYS  26           H        CYS  26  -4.998  -0.465  -3.018
  181    HA   CYS  26           HA       CYS  26  -2.912   0.507  -1.224
  182   1HB   CYS  26          2HB       CYS  26  -2.576   0.443  -3.705
  183   2HB   CYS  26          1HB       CYS  26  -3.867   1.627  -3.873
  184    H    LYS  27           H        LYS  27  -3.408   1.934   0.348
  185    HA   LYS  27           HA       LYS  27  -5.451   3.952  -0.106
  186   1HB   LYS  27          2HB       LYS  27  -6.415   1.710   0.925
  187   2HB   LYS  27          1HB       LYS  27  -5.713   2.342   2.407
  188   1HG   LYS  27          2HG       LYS  27  -7.993   2.992   2.364
  189   2HG   LYS  27          1HG       LYS  27  -7.032   4.437   2.036
  190   1HD   LYS  27          2HD       LYS  27  -8.961   4.296   0.537
  191   2HD   LYS  27          1HD       LYS  27  -7.444   4.176  -0.359
  192   1HE   LYS  27          2HE       LYS  27  -7.707   1.676  -0.256
  193   2HE   LYS  27          1HE       LYS  27  -9.327   1.946   0.385
  194   1HZ   LYS  27          1HZ       LYS  27  -9.710   3.324  -1.676
  195   2HZ   LYS  27          2HZ       LYS  27  -9.584   1.653  -1.909
  196   3HZ   LYS  27          3HZ       LYS  27  -8.277   2.659  -2.285
  Start of MODEL    2
    1   1H    SER   1          1HT       SER   1   1.248  13.616   1.257
    2   2H    SER   1          2HT       SER   1   2.036  13.606  -0.240
    3   3H    SER   1          3HT       SER   1   0.708  12.586   0.026
    4    HA   SER   1           HA       SER   1  -0.424  14.909   0.555
    5   1HB   SER   1          2HB       SER   1   0.519  16.364  -1.417
    6   2HB   SER   1          1HB       SER   1   1.367  16.348   0.131
    7    HG   SER   1           HG       SER   1   2.686  16.006  -1.825
    8    H    ALA   2           H        ALA   2   0.941  13.781  -2.555
    9    HA   ALA   2           HA       ALA   2  -1.666  13.748  -3.762
   10   1HB   ALA   2          1HB       ALA   2   1.089  13.530  -4.652
   11   2HB   ALA   2          2HB       ALA   2  -0.334  14.110  -5.516
   12   3HB   ALA   2          3HB       ALA   2   0.026  12.385  -5.468
   13    H    ILE   3           H        ILE   3  -3.063  12.135  -3.598
   14    HA   ILE   3           HA       ILE   3  -2.250   9.621  -2.468
   15    HB   ILE   3           HB       ILE   3  -5.022  10.331  -3.422
   16   1HG1  ILE   3          2HG1      ILE   3  -4.254  12.090  -1.895
   17   2HG1  ILE   3          1HG1      ILE   3  -5.488  11.097  -1.127
   18   1HG2  ILE   3          1HG2      ILE   3  -4.019   8.396  -1.331
   19   2HG2  ILE   3          2HG2      ILE   3  -4.664   7.976  -2.917
   20   3HG2  ILE   3          3HG2      ILE   3  -5.714   8.710  -1.705
   21   1HD1  ILE   3          1HD1      ILE   3  -2.653  11.465  -0.442
   22   2HD1  ILE   3          2HD1      ILE   3  -3.272   9.820  -0.295
   23   3HD1  ILE   3          3HD1      ILE   3  -4.044  11.135   0.592
   24    H    SER   4           H        SER   4  -0.881   9.572  -4.610
   25    HA   SER   4           HA       SER   4  -2.214   8.692  -6.970
   26   1HB   SER   4          2HB       SER   4   0.707   8.439  -6.242
   27   2HB   SER   4          1HB       SER   4  -0.003   8.465  -7.850
   28    HG   SER   4           HG       SER   4   0.514  10.518  -7.671
   29    H    CYS   5           H        CYS   5  -3.254   7.064  -5.182
   30    HA   CYS   5           HA       CYS   5  -2.007   4.491  -5.707
   31   1HB   CYS   5          2HB       CYS   5  -3.099   5.503  -3.072
   32   2HB   CYS   5          1HB       CYS   5  -2.588   3.854  -3.375
   33    H    GLY   6           H        GLY   6  -4.487   4.107  -3.604
   34   1HA   GLY   6          2HA       GLY   6  -6.741   3.667  -3.757
   35   2HA   GLY   6          1HA       GLY   6  -6.745   4.478  -5.310
   36    H    GLU   7           H        GLU   7  -4.691   2.678  -6.439
   37    HA   GLU   7           HA       GLU   7  -6.504   0.652  -7.318
   38   1HB   GLU   7          2HB       GLU   7  -4.141  -0.109  -8.424
   39   2HB   GLU   7          1HB       GLU   7  -5.303   0.988  -9.148
   40   1HG   GLU   7          2HG       GLU   7  -3.236   2.017  -9.356
   41   2HG   GLU   7          1HG       GLU   7  -4.039   2.849  -8.043
   42    H    THR   8           H        THR   8  -5.331  -1.566  -7.750
   43    HA   THR   8           HA       THR   8  -5.209  -2.806  -5.175
   44    HB   THR   8           HB       THR   8  -4.752  -4.893  -6.647
   45    HG1  THR   8           1HG      THR   8  -4.212  -3.400  -8.488
   46   1HG2  THR   8          1HG2      THR   8  -7.312  -3.309  -6.893
   47   2HG2  THR   8          2HG2      THR   8  -6.909  -4.467  -5.627
   48   3HG2  THR   8          3HG2      THR   8  -7.143  -5.020  -7.285
   49    H    CYS   9           H        CYS   9  -3.534  -3.893  -4.226
   50    HA   CYS   9           HA       CYS   9  -0.934  -3.989  -5.463
   51   1HB   CYS   9          2HB       CYS   9  -0.846  -1.765  -4.552
   52   2HB   CYS   9          1HB       CYS   9  -1.508  -2.311  -3.018
   53    H    PHE  10           H        PHE  10  -0.684  -6.095  -5.199
   54    HA   PHE  10           HA       PHE  10  -1.486  -7.445  -2.770
   55   1HB   PHE  10          2HB       PHE  10  -0.342  -8.454  -5.379
   56   2HB   PHE  10          1HB       PHE  10  -0.789  -9.488  -4.038
   57    HD1  PHE  10           1HD      PHE  10  -2.385  -6.694  -5.955
   58    HD2  PHE  10           2HD      PHE  10  -2.758 -10.601  -4.311
   59    HE1  PHE  10           1HE      PHE  10  -4.677  -6.841  -6.835
   60    HE2  PHE  10           2HE      PHE  10  -5.051 -10.754  -5.187
   61    HZ   PHE  10           HZ       PHE  10  -6.014  -8.873  -6.452
   62    H    LYS  11           H        LYS  11   0.537  -5.769  -2.046
   63    HA   LYS  11           HA       LYS  11   2.442  -7.503  -0.919
   64   1HB   LYS  11          2HB       LYS  11   3.129  -7.254  -3.466
   65   2HB   LYS  11          1HB       LYS  11   3.819  -5.738  -2.903
   66   1HG   LYS  11          2HG       LYS  11   5.200  -6.925  -1.306
   67   2HG   LYS  11          1HG       LYS  11   4.467  -8.458  -1.784
   68   1HD   LYS  11          2HD       LYS  11   5.310  -8.041  -4.103
   69   2HD   LYS  11          1HD       LYS  11   6.185  -6.644  -3.471
   70   1HE   LYS  11          2HE       LYS  11   7.662  -8.561  -3.606
   71   2HE   LYS  11          1HE       LYS  11   7.389  -8.122  -1.919
   72   1HZ   LYS  11          1HZ       LYS  11   6.724 -10.188  -1.557
   73   2HZ   LYS  11          2HZ       LYS  11   6.899 -10.583  -3.193
   74   3HZ   LYS  11          3HZ       LYS  11   5.429  -9.968  -2.625
   75    H    PHE  12           H        PHE  12   4.104  -4.766  -1.877
   76    HA   PHE  12           HA       PHE  12   3.006  -2.936   0.057
   77   1HB   PHE  12          2HB       PHE  12   5.234  -2.657   1.223
   78   2HB   PHE  12          1HB       PHE  12   4.376  -4.144   1.592
   79    HD1  PHE  12           1HD      PHE  12   7.168  -2.735  -0.395
   80    HD2  PHE  12           2HD      PHE  12   5.370  -6.229   1.238
   81    HE1  PHE  12           1HE      PHE  12   9.178  -4.039  -0.975
   82    HE2  PHE  12           2HE      PHE  12   7.373  -7.538   0.661
   83    HZ   PHE  12           HZ       PHE  12   9.280  -6.442  -0.447
   84    H    LYS  13           H        LYS  13   2.915  -2.602  -2.521
   85    HA   LYS  13           HA       LYS  13   5.247  -1.224  -3.494
   86   1HB   LYS  13          2HB       LYS  13   4.274  -2.400  -5.219
   87   2HB   LYS  13          1HB       LYS  13   2.644  -2.102  -4.644
   88   1HG   LYS  13          2HG       LYS  13   4.173   0.216  -5.689
   89   2HG   LYS  13          1HG       LYS  13   3.602  -0.989  -6.845
   90   1HD   LYS  13          2HD       LYS  13   1.319  -0.715  -6.012
   91   2HD   LYS  13          1HD       LYS  13   1.884   0.464  -4.829
   92   1HE   LYS  13          2HE       LYS  13   2.645   1.906  -6.686
   93   2HE   LYS  13          1HE       LYS  13   1.979   0.742  -7.831
   94   1HZ   LYS  13          1HZ       LYS  13   0.227   1.833  -5.740
   95   2HZ   LYS  13          2HZ       LYS  13  -0.171   1.295  -7.294
   96   3HZ   LYS  13          3HZ       LYS  13   0.587   2.795  -7.081
   97    H    CYS  14           H        CYS  14   2.128  -0.374  -2.193
   98    HA   CYS  14           HA       CYS  14   2.558   2.417  -2.858
   99   1HB   CYS  14          2HB       CYS  14   0.295   0.930  -1.553
  100   2HB   CYS  14          1HB       CYS  14   0.362   2.689  -1.565
  101    H    TYR  15           H        TYR  15   3.835   3.566  -1.673
  102    HA   TYR  15           HA       TYR  15   3.643   3.451   1.228
  103   1HB   TYR  15          2HB       TYR  15   6.220   3.631   1.280
  104   2HB   TYR  15          1HB       TYR  15   5.500   2.050   1.019
  105    HD1  TYR  15           1HD      TYR  15   6.465   0.730  -0.590
  106    HD2  TYR  15           2HD      TYR  15   6.670   4.960  -1.044
  107    HE1  TYR  15           1HE      TYR  15   7.829   0.445  -2.617
  108    HE2  TYR  15           2HE      TYR  15   8.026   4.681  -3.076
  109    HH   TYR  15           HH       TYR  15   8.474   1.609  -4.581
  110    H    THR  16           H        THR  16   2.858   5.196  -1.000
  111    HA   THR  16           HA       THR  16   4.441   7.563  -1.019
  112    HB   THR  16           HB       THR  16   1.507   7.595  -1.637
  113    HG1  THR  16           1HG      THR  16   1.707   6.262  -3.334
  114   1HG2  THR  16          1HG2      THR  16   3.989   8.752  -2.895
  115   2HG2  THR  16          2HG2      THR  16   2.626   9.607  -2.174
  116   3HG2  THR  16          3HG2      THR  16   2.424   8.763  -3.709
  117    HA   PRO  17           HA       PRO  17   3.227   9.470   2.842
  118   1HB   PRO  17          2HB       PRO  17   2.629  12.036   1.858
  119   2HB   PRO  17          1HB       PRO  17   4.191  11.490   2.472
  120   1HG   PRO  17          2HG       PRO  17   3.233  11.719  -0.338
  121   2HG   PRO  17          1HG       PRO  17   4.858  11.974   0.323
  122   1HD   PRO  17          2HD       PRO  17   4.246   9.762  -1.058
  123   2HD   PRO  17          1HD       PRO  17   5.339   9.700   0.342
  124    H    ARG  18           H        ARG  18   1.369   8.802   3.601
  125    HA   ARG  18           HA       ARG  18  -0.804   8.724   4.184
  126   1HB   ARG  18          2HB       ARG  18  -1.025  11.127   3.805
  127   2HB   ARG  18          1HB       ARG  18  -1.233  10.854   2.084
  128   1HG   ARG  18          2HG       ARG  18  -3.335  11.342   3.399
  129   2HG   ARG  18          1HG       ARG  18  -3.380   9.893   2.397
  130   1HD   ARG  18          2HD       ARG  18  -2.656   8.640   4.516
  131   2HD   ARG  18          1HD       ARG  18  -3.102  10.108   5.383
  132    HE   ARG  18           HE       ARG  18  -5.307   9.568   5.098
  133   1HH1  ARG  18          1HH1      ARG  18  -3.448   7.627   2.829
  134   2HH1  ARG  18          2HH1      ARG  18  -4.784   6.582   2.431
  135   1HH2  ARG  18          1HH2      ARG  18  -7.065   8.204   4.524
  136   2HH2  ARG  18          2HH2      ARG  18  -6.818   6.928   3.374
  137    H    CYS  19           H        CYS  19   0.387   6.924   2.566
  138    HA   CYS  19           HA       CYS  19  -1.886   5.740   1.263
  139   1HB   CYS  19          2HB       CYS  19  -1.040   6.875  -0.655
  140   2HB   CYS  19          1HB       CYS  19   0.622   6.448  -0.261
  141    H    SER  20           H        SER  20  -1.869   3.595   1.563
  142    HA   SER  20           HA       SER  20   0.681   2.307   2.205
  143   1HB   SER  20          2HB       SER  20  -1.249   1.133   3.894
  144   2HB   SER  20          1HB       SER  20   0.160   2.083   4.351
  145    HG   SER  20           HG       SER  20  -1.959   3.593   3.481
  146    H    CYS  21           H        CYS  21   0.931   0.379   1.353
  147    HA   CYS  21           HA       CYS  21  -1.139  -0.628  -0.376
  148   1HB   CYS  21          2HB       CYS  21   1.082  -0.807  -1.236
  149   2HB   CYS  21          1HB       CYS  21   1.669  -1.609   0.214
  150    H    SER  22           H        SER  22  -2.785  -1.184   0.956
  151    HA   SER  22           HA       SER  22  -2.321  -3.183   3.027
  152   1HB   SER  22          2HB       SER  22  -3.703  -1.365   3.768
  153   2HB   SER  22          1HB       SER  22  -4.675  -1.419   2.300
  154    HG   SER  22           HG       SER  22  -4.555  -3.524   4.204
  155    H    TYR  23           H        TYR  23  -1.776  -4.809   1.557
  156    HA   TYR  23           HA       TYR  23  -2.919  -5.603  -0.712
  157   1HB   TYR  23          2HB       TYR  23  -2.030  -7.748  -0.409
  158   2HB   TYR  23          1HB       TYR  23  -1.006  -6.708   0.571
  159    HD1  TYR  23           1HD      TYR  23  -3.607  -9.305   0.638
  160    HD2  TYR  23           2HD      TYR  23  -0.938  -6.944   2.968
  161    HE1  TYR  23           1HE      TYR  23  -4.007 -10.771   2.576
  162    HE2  TYR  23           2HE      TYR  23  -1.333  -8.401   4.909
  163    HH   TYR  23           HH       TYR  23  -3.862 -10.540   5.117
  164    HA   PRO  24           HA       PRO  24  -3.546  -6.398  -1.953
  165   1HB   PRO  24          2HB       PRO  24  -5.325  -7.207  -3.740
  166   2HB   PRO  24          1HB       PRO  24  -4.644  -8.350  -2.584
  167   1HG   PRO  24          2HG       PRO  24  -7.357  -7.161  -2.677
  168   2HG   PRO  24          1HG       PRO  24  -6.827  -8.702  -1.983
  169   1HD   PRO  24          2HD       PRO  24  -7.231  -6.170  -0.641
  170   2HD   PRO  24          1HD       PRO  24  -6.778  -7.735   0.070
  171    H    VAL  25           H        VAL  25  -4.818  -3.940  -0.784
  172    HA   VAL  25           HA       VAL  25  -5.239  -2.540  -3.324
  173    HB   VAL  25           HB       VAL  25  -7.202  -1.977  -1.134
  174   1HG1  VAL  25          1HG1      VAL  25  -7.580  -0.279  -2.509
  175   2HG1  VAL  25          2HG1      VAL  25  -8.406  -1.455  -3.532
  176   3HG1  VAL  25          3HG1      VAL  25  -6.718  -1.048  -3.842
  177   1HG2  VAL  25          1HG2      VAL  25  -8.803  -3.469  -1.871
  178   2HG2  VAL  25          2HG2      VAL  25  -7.326  -4.426  -2.003
  179   3HG2  VAL  25          3HG2      VAL  25  -8.029  -3.685  -3.441
  180    H    CYS  26           H        CYS  26  -4.501  -0.509  -3.295
  181    HA   CYS  26           HA       CYS  26  -3.012   0.414  -1.031
  182   1HB   CYS  26          2HB       CYS  26  -3.654   1.642  -3.715
  183   2HB   CYS  26          1HB       CYS  26  -2.573   2.352  -2.534
  184    H    LYS  27           H        LYS  27  -3.623   1.917   0.458
  185    HA   LYS  27           HA       LYS  27  -6.121   3.372   0.005
  186   1HB   LYS  27          2HB       LYS  27  -5.334   1.958   2.564
  187   2HB   LYS  27          1HB       LYS  27  -6.789   2.895   2.306
  188   1HG   LYS  27          2HG       LYS  27  -7.602   1.279   0.705
  189   2HG   LYS  27          1HG       LYS  27  -6.097   0.368   0.832
  190   1HD   LYS  27          2HD       LYS  27  -6.594   0.024   3.252
  191   2HD   LYS  27          1HD       LYS  27  -8.162   0.790   2.989
  192   1HE   LYS  27          2HE       LYS  27  -8.428  -1.604   2.918
  193   2HE   LYS  27          1HE       LYS  27  -8.683  -0.943   1.304
  194   1HZ   LYS  27          1HZ       LYS  27  -6.340  -2.444   2.323
  195   2HZ   LYS  27          2HZ       LYS  27  -6.255  -1.515   0.908
  196   3HZ   LYS  27          3HZ       LYS  27  -7.334  -2.813   1.003
  Start of MODEL    3
    1   1H    SER   1          1HT       SER   1   1.279   4.283  -8.148
    2   2H    SER   1          2HT       SER   1   1.536   3.563  -9.656
    3   3H    SER   1          3HT       SER   1   0.053   4.300  -9.319
    4    HA   SER   1           HA       SER   1   2.221   5.449 -10.561
    5   1HB   SER   1          2HB       SER   1  -0.171   6.733  -9.208
    6   2HB   SER   1          1HB       SER   1   0.767   7.430 -10.530
    7    HG   SER   1           HG       SER   1  -1.309   5.790 -10.694
    8    H    ALA   2           H        ALA   2   1.751   8.149  -9.100
    9    HA   ALA   2           HA       ALA   2   4.080   7.927  -7.388
   10   1HB   ALA   2          1HB       ALA   2   3.750   9.878  -8.900
   11   2HB   ALA   2          2HB       ALA   2   3.964  10.336  -7.210
   12   3HB   ALA   2          3HB       ALA   2   2.354  10.348  -7.930
   13    H    ILE   3           H        ILE   3   0.939   9.501  -6.884
   14    HA   ILE   3           HA       ILE   3   0.986   8.761  -4.084
   15    HB   ILE   3           HB       ILE   3  -1.156  10.359  -5.502
   16   1HG1  ILE   3          2HG1      ILE   3   1.302  11.415  -4.082
   17   2HG1  ILE   3          1HG1      ILE   3   1.080  11.400  -5.828
   18   1HG2  ILE   3          1HG2      ILE   3  -1.791   9.506  -3.319
   19   2HG2  ILE   3          2HG2      ILE   3  -1.569  11.255  -3.241
   20   3HG2  ILE   3          3HG2      ILE   3  -0.325  10.179  -2.605
   21   1HD1  ILE   3          1HD1      ILE   3  -0.955  12.759  -4.139
   22   2HD1  ILE   3          2HD1      ILE   3  -0.431  13.114  -5.785
   23   3HD1  ILE   3          3HD1      ILE   3   0.596  13.549  -4.419
   24    H    SER   4           H        SER   4   0.931   6.536  -5.192
   25    HA   SER   4           HA       SER   4  -1.313   5.510  -6.429
   26   1HB   SER   4          2HB       SER   4   0.559   3.978  -4.638
   27   2HB   SER   4          1HB       SER   4  -0.327   3.392  -6.041
   28    HG   SER   4           HG       SER   4   2.061   4.702  -5.915
   29    H    CYS   5           H        CYS   5  -3.264   5.309  -5.727
   30    HA   CYS   5           HA       CYS   5  -3.848   4.114  -3.165
   31   1HB   CYS   5          2HB       CYS   5  -4.350   6.943  -3.794
   32   2HB   CYS   5          1HB       CYS   5  -5.753   6.077  -3.203
   33    H    GLY   6           H        GLY   6  -4.983   5.511  -6.187
   34   1HA   GLY   6          2HA       GLY   6  -7.399   3.932  -6.219
   35   2HA   GLY   6          1HA       GLY   6  -6.831   5.001  -7.493
   36    H    GLU   7           H        GLU   7  -5.226   2.246  -5.945
   37    HA   GLU   7           HA       GLU   7  -5.574   0.574  -8.255
   38   1HB   GLU   7          2HB       GLU   7  -3.210   0.277  -8.763
   39   2HB   GLU   7          1HB       GLU   7  -3.679   1.950  -8.988
   40   1HG   GLU   7          2HG       GLU   7  -2.771   2.309  -6.620
   41   2HG   GLU   7          1HG       GLU   7  -1.998   0.743  -6.831
   42    H    THR   8           H        THR   8  -4.840  -1.559  -7.903
   43    HA   THR   8           HA       THR   8  -5.052  -2.319  -5.122
   44    HB   THR   8           HB       THR   8  -4.969  -4.683  -6.191
   45    HG1  THR   8           1HG      THR   8  -5.689  -4.541  -8.444
   46   1HG2  THR   8          1HG2      THR   8  -7.363  -4.461  -6.902
   47   2HG2  THR   8          2HG2      THR   8  -7.201  -2.717  -6.693
   48   3HG2  THR   8          3HG2      THR   8  -7.011  -3.791  -5.309
   49    H    CYS   9           H        CYS   9  -3.616  -3.829  -4.097
   50    HA   CYS   9           HA       CYS   9  -1.011  -4.226  -5.261
   51   1HB   CYS   9          2HB       CYS   9  -0.691  -2.034  -4.329
   52   2HB   CYS   9          1HB       CYS   9  -1.420  -2.526  -2.802
   53    H    PHE  10           H        PHE  10  -0.984  -6.348  -4.991
   54    HA   PHE  10           HA       PHE  10  -1.821  -7.540  -2.472
   55   1HB   PHE  10          2HB       PHE  10  -1.073  -8.725  -5.150
   56   2HB   PHE  10          1HB       PHE  10  -1.455  -9.687  -3.736
   57    HD1  PHE  10           1HD      PHE  10  -2.982  -6.784  -5.539
   58    HD2  PHE  10           2HD      PHE  10  -3.548 -10.596  -3.732
   59    HE1  PHE  10           1HE      PHE  10  -5.366  -6.708  -6.135
   60    HE2  PHE  10           2HE      PHE  10  -5.934 -10.525  -4.323
   61    HZ   PHE  10           HZ       PHE  10  -6.846  -8.580  -5.528
   62    H    LYS  11           H        LYS  11   0.545  -5.982  -2.330
   63    HA   LYS  11           HA       LYS  11   2.350  -7.889  -1.206
   64   1HB   LYS  11          2HB       LYS  11   2.742  -7.756  -3.838
   65   2HB   LYS  11          1HB       LYS  11   3.658  -6.326  -3.388
   66   1HG   LYS  11          2HG       LYS  11   5.258  -8.006  -3.439
   67   2HG   LYS  11          1HG       LYS  11   4.865  -7.872  -1.724
   68   1HD   LYS  11          2HD       LYS  11   3.530  -9.865  -3.543
   69   2HD   LYS  11          1HD       LYS  11   5.026 -10.223  -2.684
   70   1HE   LYS  11          2HE       LYS  11   3.997 -10.153  -0.605
   71   2HE   LYS  11          1HE       LYS  11   2.641  -9.194  -1.198
   72   1HZ   LYS  11          1HZ       LYS  11   1.640 -11.029  -2.134
   73   2HZ   LYS  11          2HZ       LYS  11   2.294 -11.681  -0.716
   74   3HZ   LYS  11          3HZ       LYS  11   3.072 -11.932  -2.197
   75    H    PHE  12           H        PHE  12   4.183  -5.401  -2.430
   76    HA   PHE  12           HA       PHE  12   3.552  -3.459  -0.336
   77   1HB   PHE  12          2HB       PHE  12   6.300  -4.676  -0.751
   78   2HB   PHE  12          1HB       PHE  12   5.975  -3.263   0.243
   79    HD1  PHE  12           1HD      PHE  12   5.471  -6.900  -0.061
   80    HD2  PHE  12           2HD      PHE  12   5.103  -3.472   2.436
   81    HE1  PHE  12           1HE      PHE  12   5.054  -8.359   1.875
   82    HE2  PHE  12           2HE      PHE  12   4.686  -4.926   4.376
   83    HZ   PHE  12           HZ       PHE  12   4.662  -7.373   4.097
   84    H    LYS  13           H        LYS  13   2.758  -2.811  -2.615
   85    HA   LYS  13           HA       LYS  13   4.819  -1.750  -4.328
   86   1HB   LYS  13          2HB       LYS  13   2.243  -2.721  -4.714
   87   2HB   LYS  13          1HB       LYS  13   2.106  -0.995  -5.020
   88   1HG   LYS  13          2HG       LYS  13   3.709  -1.094  -6.774
   89   2HG   LYS  13          1HG       LYS  13   4.152  -2.753  -6.354
   90   1HD   LYS  13          2HD       LYS  13   2.703  -2.721  -8.313
   91   2HD   LYS  13          1HD       LYS  13   1.898  -3.505  -6.955
   92   1HE   LYS  13          2HE       LYS  13   0.310  -2.075  -8.032
   93   2HE   LYS  13          1HE       LYS  13   0.738  -1.347  -6.485
   94   1HZ   LYS  13          1HZ       LYS  13   0.694   0.349  -8.153
   95   2HZ   LYS  13          2HZ       LYS  13   1.729  -0.541  -9.162
   96   3HZ   LYS  13          3HZ       LYS  13   2.310   0.090  -7.707
   97    H    CYS  14           H        CYS  14   2.013  -0.397  -2.654
   98    HA   CYS  14           HA       CYS  14   3.021   2.282  -3.098
   99   1HB   CYS  14          2HB       CYS  14   0.492   1.408  -1.694
  100   2HB   CYS  14          1HB       CYS  14   0.871   3.026  -2.283
  101    H    TYR  15           H        TYR  15   3.669   3.697  -1.532
  102    HA   TYR  15           HA       TYR  15   3.545   3.038   1.262
  103   1HB   TYR  15          2HB       TYR  15   6.125   3.311   1.444
  104   2HB   TYR  15          1HB       TYR  15   5.467   1.747   0.981
  105    HD1  TYR  15           1HD      TYR  15   6.478   0.658  -0.768
  106    HD2  TYR  15           2HD      TYR  15   6.631   4.911  -0.666
  107    HE1  TYR  15           1HE      TYR  15   7.885   0.652  -2.785
  108    HE2  TYR  15           2HE      TYR  15   8.034   4.914  -2.684
  109    HH   TYR  15           HH       TYR  15   8.385   2.292  -4.684
  110    H    THR  16           H        THR  16   2.694   5.065  -0.581
  111    HA   THR  16           HA       THR  16   4.224   7.459   0.006
  112    HB   THR  16           HB       THR  16   1.502   7.421  -1.274
  113    HG1  THR  16           1HG      THR  16   3.160   7.129  -3.245
  114   1HG2  THR  16          1HG2      THR  16   2.491   9.590  -1.041
  115   2HG2  THR  16          2HG2      THR  16   2.597   9.135  -2.742
  116   3HG2  THR  16          3HG2      THR  16   4.023   9.024  -1.709
  117    HA   PRO  17           HA       PRO  17   2.043   8.535   3.753
  118   1HB   PRO  17          2HB       PRO  17   1.758  11.256   2.569
  119   2HB   PRO  17          1HB       PRO  17   2.404  10.776   4.143
  120   1HG   PRO  17          2HG       PRO  17   4.033  11.532   2.174
  121   2HG   PRO  17          1HG       PRO  17   4.475  10.208   3.270
  122   1HD   PRO  17          2HD       PRO  17   3.514  10.097   0.449
  123   2HD   PRO  17          1HD       PRO  17   4.683   9.057   1.286
  124    H    ARG  18           H        ARG  18   0.012   7.918   4.065
  125    HA   ARG  18           HA       ARG  18  -2.238   7.741   3.997
  126   1HB   ARG  18          2HB       ARG  18  -2.266  10.182   4.124
  127   2HB   ARG  18          1HB       ARG  18  -2.081  10.293   2.384
  128   1HG   ARG  18          2HG       ARG  18  -4.387  10.719   3.192
  129   2HG   ARG  18          1HG       ARG  18  -4.270   9.402   2.024
  130   1HD   ARG  18          2HD       ARG  18  -4.257   7.800   3.927
  131   2HD   ARG  18          1HD       ARG  18  -4.533   9.155   5.018
  132    HE   ARG  18           HE       ARG  18  -6.732   9.100   4.443
  133   1HH1  ARG  18          1HH1      ARG  18  -4.932   7.407   1.940
  134   2HH1  ARG  18          2HH1      ARG  18  -6.356   6.969   1.052
  135   1HH2  ARG  18          1HH2      ARG  18  -8.601   8.509   3.263
  136   2HH2  ARG  18          2HH2      ARG  18  -8.439   7.594   1.803
  137    H    CYS  19           H        CYS  19  -0.357   6.772   1.818
  138    HA   CYS  19           HA       CYS  19  -2.397   5.629   0.148
  139   1HB   CYS  19          2HB       CYS  19  -0.396   7.614  -0.805
  140   2HB   CYS  19          1HB       CYS  19  -0.736   6.237  -1.833
  141    H    SER  20           H        SER  20  -1.312   4.097   1.863
  142    HA   SER  20           HA       SER  20   1.164   2.974   0.779
  143   1HB   SER  20          2HB       SER  20   1.176   3.508   3.163
  144   2HB   SER  20          1HB       SER  20  -0.179   2.420   3.426
  145    HG   SER  20           HG       SER  20   2.127   1.672   3.783
  146    H    CYS  21           H        CYS  21   1.399   0.655   0.848
  147    HA   CYS  21           HA       CYS  21  -0.831  -0.528  -0.546
  148   1HB   CYS  21          2HB       CYS  21   1.290  -1.017  -1.493
  149   2HB   CYS  21          1HB       CYS  21   1.953  -1.569   0.036
  150    H    SER  22           H        SER  22  -2.403  -0.687   0.924
  151    HA   SER  22           HA       SER  22  -2.013  -2.343   3.303
  152   1HB   SER  22          2HB       SER  22  -3.272  -0.165   3.465
  153   2HB   SER  22          1HB       SER  22  -4.466  -0.825   2.350
  154    HG   SER  22           HG       SER  22  -4.759  -2.537   3.939
  155    H    TYR  23           H        TYR  23  -1.535  -4.060   1.743
  156    HA   TYR  23           HA       TYR  23  -2.876  -5.099  -0.251
  157   1HB   TYR  23          2HB       TYR  23  -1.980  -7.206   0.198
  158   2HB   TYR  23          1HB       TYR  23  -0.894  -6.095   1.013
  159    HD1  TYR  23           1HD      TYR  23  -3.500  -8.644   1.485
  160    HD2  TYR  23           2HD      TYR  23  -0.673  -6.107   3.405
  161    HE1  TYR  23           1HE      TYR  23  -3.777  -9.921   3.570
  162    HE2  TYR  23           2HE      TYR  23  -0.941  -7.378   5.496
  163    HH   TYR  23           HH       TYR  23  -3.467  -9.740   5.880
  164    HA   PRO  24           HA       PRO  24  -3.580  -6.070  -1.358
  165   1HB   PRO  24          2HB       PRO  24  -5.496  -6.936  -2.962
  166   2HB   PRO  24          1HB       PRO  24  -4.801  -8.002  -1.741
  167   1HG   PRO  24          2HG       PRO  24  -7.447  -6.651  -1.781
  168   2HG   PRO  24          1HG       PRO  24  -6.976  -8.185  -1.030
  169   1HD   PRO  24          2HD       PRO  24  -7.174  -5.599   0.206
  170   2HD   PRO  24          1HD       PRO  24  -6.679  -7.132   0.953
  171    H    VAL  25           H        VAL  25  -4.671  -3.452  -0.355
  172    HA   VAL  25           HA       VAL  25  -5.124  -2.249  -2.991
  173    HB   VAL  25           HB       VAL  25  -6.930  -1.404  -0.742
  174   1HG1  VAL  25          1HG1      VAL  25  -8.263  -0.825  -2.988
  175   2HG1  VAL  25          2HG1      VAL  25  -6.608  -0.745  -3.595
  176   3HG1  VAL  25          3HG1      VAL  25  -7.099   0.267  -2.237
  177   1HG2  VAL  25          1HG2      VAL  25  -8.042  -3.339  -0.905
  178   2HG2  VAL  25          2HG2      VAL  25  -7.221  -3.792  -2.398
  179   3HG2  VAL  25          3HG2      VAL  25  -8.616  -2.715  -2.451
  180    H    CYS  26           H        CYS  26  -4.397  -0.131  -3.126
  181    HA   CYS  26           HA       CYS  26  -2.653   0.704  -0.998
  182   1HB   CYS  26          2HB       CYS  26  -3.268   1.862  -3.718
  183   2HB   CYS  26          1HB       CYS  26  -2.054   2.487  -2.618
  184    H    LYS  27           H        LYS  27  -3.250   1.964   0.613
  185    HA   LYS  27           HA       LYS  27  -5.073   4.178   0.218
  186   1HB   LYS  27          2HB       LYS  27  -6.613   2.312   0.656
  187   2HB   LYS  27          1HB       LYS  27  -5.713   1.879   2.097
  188   1HG   LYS  27          2HG       LYS  27  -7.040   4.556   1.823
  189   2HG   LYS  27          1HG       LYS  27  -7.924   3.133   2.368
  190   1HD   LYS  27          2HD       LYS  27  -5.502   4.369   3.684
  191   2HD   LYS  27          1HD       LYS  27  -7.161   4.418   4.277
  192   1HE   LYS  27          2HE       LYS  27  -6.249   2.727   5.556
  193   2HE   LYS  27          1HE       LYS  27  -6.972   1.822   4.230
  194   1HZ   LYS  27          1HZ       LYS  27  -4.343   1.739   5.070
  195   2HZ   LYS  27          2HZ       LYS  27  -4.298   2.560   3.589
  196   3HZ   LYS  27          3HZ       LYS  27  -4.992   1.016   3.688
  Start of MODEL    4
    1   1H    SER   1          1HT       SER   1   0.845  15.512  -6.133
    2   2H    SER   1          2HT       SER   1  -0.037  14.663  -7.303
    3   3H    SER   1          3HT       SER   1   1.170  13.874  -6.413
    4    HA   SER   1           HA       SER   1  -0.906  15.104  -4.832
    5   1HB   SER   1          2HB       SER   1  -1.502  12.595  -6.414
    6   2HB   SER   1          1HB       SER   1  -2.617  13.543  -5.424
    7    HG   SER   1           HG       SER   1  -2.943  14.054  -7.589
    8    H    ALA   2           H        ALA   2  -1.154  13.911  -2.890
    9    HA   ALA   2           HA       ALA   2   1.126  12.271  -2.236
   10   1HB   ALA   2          1HB       ALA   2  -1.045  13.610  -0.732
   11   2HB   ALA   2          2HB       ALA   2   0.691  13.569  -0.426
   12   3HB   ALA   2          3HB       ALA   2  -0.314  12.187   0.011
   13    H    ILE   3           H        ILE   3  -2.397  11.816  -1.957
   14    HA   ILE   3           HA       ILE   3  -2.131   8.998  -1.618
   15    HB   ILE   3           HB       ILE   3  -3.882  10.220  -0.450
   16   1HG1  ILE   3          2HG1      ILE   3  -5.807   8.762  -0.962
   17   2HG1  ILE   3          1HG1      ILE   3  -5.028   8.269  -2.461
   18   1HG2  ILE   3          1HG2      ILE   3  -4.572  11.122  -3.164
   19   2HG2  ILE   3          2HG2      ILE   3  -4.720  11.947  -1.613
   20   3HG2  ILE   3          3HG2      ILE   3  -5.930  10.761  -2.098
   21   1HD1  ILE   3          1HD1      ILE   3  -4.492   7.449   0.316
   22   2HD1  ILE   3          2HD1      ILE   3  -3.088   7.638  -0.734
   23   3HD1  ILE   3          3HD1      ILE   3  -4.385   6.531  -1.186
   24    H    SER   4           H        SER   4  -0.870   9.434  -3.910
   25    HA   SER   4           HA       SER   4  -2.576   9.136  -6.203
   26   1HB   SER   4          2HB       SER   4   0.420   8.791  -5.947
   27   2HB   SER   4          1HB       SER   4  -0.494   9.017  -7.429
   28    HG   SER   4           HG       SER   4   0.410  10.864  -5.663
   29    H    CYS   5           H        CYS   5  -3.374   7.197  -4.607
   30    HA   CYS   5           HA       CYS   5  -2.196   4.759  -5.712
   31   1HB   CYS   5          2HB       CYS   5  -3.203   5.250  -2.904
   32   2HB   CYS   5          1HB       CYS   5  -2.636   3.713  -3.524
   33    H    GLY   6           H        GLY   6  -4.629   4.164  -3.502
   34   1HA   GLY   6          2HA       GLY   6  -6.915   3.836  -3.655
   35   2HA   GLY   6          1HA       GLY   6  -6.888   4.596  -5.235
   36    H    GLU   7           H        GLU   7  -4.993   2.868  -6.464
   37    HA   GLU   7           HA       GLU   7  -6.728   0.757  -7.254
   38   1HB   GLU   7          2HB       GLU   7  -4.885   0.089  -8.739
   39   2HB   GLU   7          1HB       GLU   7  -5.278   1.796  -8.866
   40   1HG   GLU   7          2HG       GLU   7  -3.354   2.370  -7.515
   41   2HG   GLU   7          1HG       GLU   7  -2.980   0.661  -7.290
   42    H    THR   8           H        THR   8  -5.279  -1.394  -7.735
   43    HA   THR   8           HA       THR   8  -5.235  -2.720  -5.201
   44    HB   THR   8           HB       THR   8  -4.502  -4.697  -6.678
   45    HG1  THR   8           1HG      THR   8  -3.964  -2.958  -8.407
   46   1HG2  THR   8          1HG2      THR   8  -6.685  -5.214  -6.800
   47   2HG2  THR   8          2HG2      THR   8  -7.052  -3.807  -7.799
   48   3HG2  THR   8          3HG2      THR   8  -6.961  -3.644  -6.044
   49    H    CYS   9           H        CYS   9  -3.524  -3.911  -4.289
   50    HA   CYS   9           HA       CYS   9  -0.818  -3.511  -5.268
   51   1HB   CYS   9          2HB       CYS   9  -1.287  -1.509  -3.880
   52   2HB   CYS   9          1HB       CYS   9  -1.650  -2.559  -2.519
   53    H    PHE  10           H        PHE  10  -0.807  -5.772  -5.486
   54    HA   PHE  10           HA       PHE  10  -1.444  -7.487  -3.283
   55   1HB   PHE  10          2HB       PHE  10  -0.256  -7.984  -6.009
   56   2HB   PHE  10          1HB       PHE  10  -0.523  -9.263  -4.839
   57    HD1  PHE  10           1HD      PHE  10  -2.398 -10.519  -5.174
   58    HD2  PHE  10           2HD      PHE  10  -2.475  -6.404  -6.258
   59    HE1  PHE  10           1HE      PHE  10  -4.709 -10.777  -5.980
   60    HE2  PHE  10           2HE      PHE  10  -4.786  -6.655  -7.062
   61    HZ   PHE  10           HZ       PHE  10  -5.906  -8.843  -6.924
   62    H    LYS  11           H        LYS  11   0.406  -5.846  -2.239
   63    HA   LYS  11           HA       LYS  11   2.351  -7.542  -1.202
   64   1HB   LYS  11          2HB       LYS  11   3.115  -6.943  -3.731
   65   2HB   LYS  11          1HB       LYS  11   3.859  -5.606  -2.860
   66   1HG   LYS  11          2HG       LYS  11   5.233  -7.012  -1.622
   67   2HG   LYS  11          1HG       LYS  11   4.230  -8.428  -1.939
   68   1HD   LYS  11          2HD       LYS  11   5.980  -6.976  -3.924
   69   2HD   LYS  11          1HD       LYS  11   6.278  -8.568  -3.224
   70   1HE   LYS  11          2HE       LYS  11   4.053  -7.777  -5.099
   71   2HE   LYS  11          1HE       LYS  11   5.396  -8.869  -5.434
   72   1HZ   LYS  11          1HZ       LYS  11   2.918  -9.353  -3.984
   73   2HZ   LYS  11          2HZ       LYS  11   4.307 -10.072  -3.332
   74   3HZ   LYS  11          3HZ       LYS  11   3.852 -10.410  -4.924
   75    H    PHE  12           H        PHE  12   4.040  -4.763  -1.777
   76    HA   PHE  12           HA       PHE  12   2.730  -3.061   0.157
   77   1HB   PHE  12          2HB       PHE  12   4.934  -2.898   1.484
   78   2HB   PHE  12          1HB       PHE  12   3.917  -4.304   1.765
   79    HD1  PHE  12           1HD      PHE  12   4.950  -6.338   1.876
   80    HD2  PHE  12           2HD      PHE  12   6.735  -3.271  -0.471
   81    HE1  PHE  12           1HE      PHE  12   6.853  -7.820   1.395
   82    HE2  PHE  12           2HE      PHE  12   8.640  -4.750  -0.962
   83    HZ   PHE  12           HZ       PHE  12   8.700  -7.028  -0.028
   84    H    LYS  13           H        LYS  13   3.029  -2.609  -2.480
   85    HA   LYS  13           HA       LYS  13   5.438  -1.069  -2.898
   86   1HB   LYS  13          2HB       LYS  13   4.685  -2.514  -4.694
   87   2HB   LYS  13          1HB       LYS  13   3.140  -1.683  -4.752
   88   1HG   LYS  13          2HG       LYS  13   4.696  -1.065  -6.579
   89   2HG   LYS  13          1HG       LYS  13   4.155   0.302  -5.608
   90   1HD   LYS  13          2HD       LYS  13   6.529   0.490  -6.080
   91   2HD   LYS  13          1HD       LYS  13   6.269   0.234  -4.356
   92   1HE   LYS  13          2HE       LYS  13   6.770  -2.169  -4.684
   93   2HE   LYS  13          1HE       LYS  13   7.130  -1.832  -6.377
   94   1HZ   LYS  13          1HZ       LYS  13   8.929  -1.772  -4.365
   95   2HZ   LYS  13          2HZ       LYS  13   8.544  -0.130  -4.527
   96   3HZ   LYS  13          3HZ       LYS  13   9.122  -1.003  -5.860
   97    H    CYS  14           H        CYS  14   2.101  -0.413  -2.175
   98    HA   CYS  14           HA       CYS  14   2.378   2.366  -2.938
   99   1HB   CYS  14          2HB       CYS  14   0.132   0.751  -1.778
  100   2HB   CYS  14          1HB       CYS  14   0.060   2.510  -1.786
  101    H    TYR  15           H        TYR  15   4.262   2.548  -1.524
  102    HA   TYR  15           HA       TYR  15   3.563   3.041   1.283
  103   1HB   TYR  15          2HB       TYR  15   6.167   3.266   1.435
  104   2HB   TYR  15          1HB       TYR  15   5.437   1.669   1.332
  105    HD1  TYR  15           1HD      TYR  15   6.520   4.290  -1.136
  106    HD2  TYR  15           2HD      TYR  15   6.609   0.198   0.031
  107    HE1  TYR  15           1HE      TYR  15   7.905   3.764  -3.100
  108    HE2  TYR  15           2HE      TYR  15   7.996  -0.336  -1.926
  109    HH   TYR  15           HH       TYR  15   9.328   2.160  -3.974
  110    H    THR  16           H        THR  16   2.903   4.677  -1.039
  111    HA   THR  16           HA       THR  16   4.493   7.007  -1.186
  112    HB   THR  16           HB       THR  16   1.584   7.213  -1.730
  113    HG1  THR  16           1HG      THR  16   1.532   5.650  -3.241
  114   1HG2  THR  16          1HG2      THR  16   4.103   8.212  -2.795
  115   2HG2  THR  16          2HG2      THR  16   2.478   8.885  -2.926
  116   3HG2  THR  16          3HG2      THR  16   3.013   7.646  -4.062
  117    HA   PRO  17           HA       PRO  17   3.439   9.194   2.546
  118   1HB   PRO  17          2HB       PRO  17   3.059  11.565   0.779
  119   2HB   PRO  17          1HB       PRO  17   4.054  11.390   2.230
  120   1HG   PRO  17          2HG       PRO  17   5.172  11.416  -0.186
  121   2HG   PRO  17          1HG       PRO  17   5.774  10.337   1.086
  122   1HD   PRO  17          2HD       PRO  17   4.094   9.706  -1.300
  123   2HD   PRO  17          1HD       PRO  17   5.366   8.739  -0.526
  124    H    ARG  18           H        ARG  18   1.545   9.070   3.523
  125    HA   ARG  18           HA       ARG  18  -0.644   9.230   4.053
  126   1HB   ARG  18          2HB       ARG  18  -0.329  11.585   3.187
  127   2HB   ARG  18          1HB       ARG  18  -0.945  11.022   1.646
  128   1HG   ARG  18          2HG       ARG  18  -3.081  10.449   2.712
  129   2HG   ARG  18          1HG       ARG  18  -2.450  11.011   4.262
  130   1HD   ARG  18          2HD       ARG  18  -2.815  12.685   1.780
  131   2HD   ARG  18          1HD       ARG  18  -3.864  12.695   3.195
  132    HE   ARG  18           HE       ARG  18  -1.213  13.248   3.977
  133   1HH1  ARG  18          1HH1      ARG  18  -3.906  14.708   2.295
  134   2HH1  ARG  18          2HH1      ARG  18  -3.437  16.333   2.672
  135   1HH2  ARG  18          1HH2      ARG  18  -0.578  15.395   4.486
  136   2HH2  ARG  18          2HH2      ARG  18  -1.535  16.725   3.922
  137    H    CYS  19           H        CYS  19   0.363   7.140   2.462
  138    HA   CYS  19           HA       CYS  19  -2.095   6.111   1.338
  139   1HB   CYS  19          2HB       CYS  19  -1.227   6.957  -0.690
  140   2HB   CYS  19          1HB       CYS  19   0.424   6.530  -0.264
  141    H    SER  20           H        SER  20  -2.251   3.917   1.647
  142    HA   SER  20           HA       SER  20   0.173   2.563   2.620
  143   1HB   SER  20          2HB       SER  20  -2.068   1.418   3.909
  144   2HB   SER  20          1HB       SER  20  -0.735   2.316   4.631
  145    HG   SER  20           HG       SER  20  -2.950   3.620   3.427
  146    H    CYS  21           H        CYS  21   0.563   0.633   1.825
  147    HA   CYS  21           HA       CYS  21  -1.306  -0.440  -0.124
  148   1HB   CYS  21          2HB       CYS  21   0.930  -0.399  -0.936
  149   2HB   CYS  21          1HB       CYS  21   1.572  -1.133   0.527
  150    H    SER  22           H        SER  22  -2.932  -1.178   1.192
  151    HA   SER  22           HA       SER  22  -2.295  -3.200   3.194
  152   1HB   SER  22          2HB       SER  22  -3.966  -1.414   3.734
  153   2HB   SER  22          1HB       SER  22  -4.976  -2.001   2.415
  154    HG   SER  22           HG       SER  22  -5.197  -3.959   3.511
  155    H    TYR  23           H        TYR  23  -1.544  -4.755   1.760
  156    HA   TYR  23           HA       TYR  23  -2.475  -5.585  -0.598
  157   1HB   TYR  23          2HB       TYR  23  -1.401  -7.640  -0.288
  158   2HB   TYR  23          1HB       TYR  23  -0.547  -6.546   0.787
  159    HD1  TYR  23           1HD      TYR  23  -0.612  -6.857   3.175
  160    HD2  TYR  23           2HD      TYR  23  -2.892  -9.368   0.602
  161    HE1  TYR  23           1HE      TYR  23  -0.980  -8.419   5.038
  162    HE2  TYR  23           2HE      TYR  23  -3.270 -10.936   2.464
  163    HH   TYR  23           HH       TYR  23  -3.275 -10.596   5.183
  164    HA   PRO  24           HA       PRO  24  -2.988  -6.362  -1.900
  165   1HB   PRO  24          2HB       PRO  24  -4.591  -7.285  -3.792
  166   2HB   PRO  24          1HB       PRO  24  -3.855  -8.391  -2.632
  167   1HG   PRO  24          2HG       PRO  24  -6.665  -7.471  -2.833
  168   2HG   PRO  24          1HG       PRO  24  -6.019  -8.972  -2.149
  169   1HD   PRO  24          2HD       PRO  24  -6.727  -6.523  -0.771
  170   2HD   PRO  24          1HD       PRO  24  -6.172  -8.061  -0.075
  171    H    VAL  25           H        VAL  25  -4.455  -4.033  -0.760
  172    HA   VAL  25           HA       VAL  25  -5.013  -2.686  -3.309
  173    HB   VAL  25           HB       VAL  25  -6.951  -2.178  -1.089
  174   1HG1  VAL  25          1HG1      VAL  25  -6.661  -0.749  -3.178
  175   2HG1  VAL  25          2HG1      VAL  25  -8.298  -1.238  -2.741
  176   3HG1  VAL  25          3HG1      VAL  25  -7.446  -2.072  -4.041
  177   1HG2  VAL  25          1HG2      VAL  25  -7.773  -4.254  -1.200
  178   2HG2  VAL  25          2HG2      VAL  25  -6.838  -4.639  -2.645
  179   3HG2  VAL  25          3HG2      VAL  25  -8.379  -3.794  -2.791
  180    H    CYS  26           H        CYS  26  -4.545  -0.523  -3.319
  181    HA   CYS  26           HA       CYS  26  -3.052   0.528  -1.077
  182   1HB   CYS  26          2HB       CYS  26  -3.739   1.792  -3.737
  183   2HB   CYS  26          1HB       CYS  26  -2.507   2.315  -2.612
  184    H    LYS  27           H        LYS  27  -3.973   1.836   0.440
  185    HA   LYS  27           HA       LYS  27  -6.274   3.457  -0.330
  186   1HB   LYS  27          2HB       LYS  27  -6.127   1.617   2.063
  187   2HB   LYS  27          1HB       LYS  27  -7.308   2.899   1.897
  188   1HG   LYS  27          2HG       LYS  27  -7.010   0.479   0.139
  189   2HG   LYS  27          1HG       LYS  27  -8.320   0.821   1.271
  190   1HD   LYS  27          2HD       LYS  27  -9.135   2.598  -0.064
  191   2HD   LYS  27          1HD       LYS  27  -7.676   2.619  -1.056
  192   1HE   LYS  27          2HE       LYS  27  -8.335   0.192  -1.652
  193   2HE   LYS  27          1HE       LYS  27  -9.928   0.649  -1.048
  194   1HZ   LYS  27          1HZ       LYS  27  -9.534   2.669  -2.648
  195   2HZ   LYS  27          2HZ       LYS  27 -10.139   1.203  -3.233
  196   3HZ   LYS  27          3HZ       LYS  27  -8.499   1.580  -3.432
  Start of MODEL    5
    1   1H    SER   1          1HT       SER   1   0.175   6.718 -11.858
    2   2H    SER   1          2HT       SER   1   1.327   5.484 -11.787
    3   3H    SER   1          3HT       SER   1   1.750   7.061 -11.342
    4    HA   SER   1           HA       SER   1  -0.481   6.005  -9.888
    5   1HB   SER   1          2HB       SER   1   2.258   4.746  -9.593
    6   2HB   SER   1          1HB       SER   1   0.839   4.400  -8.600
    7    HG   SER   1           HG       SER   1  -0.210   3.612 -10.448
    8    H    ALA   2           H        ALA   2   0.338   8.602 -10.107
    9    HA   ALA   2           HA       ALA   2   2.302   9.430  -8.253
   10   1HB   ALA   2          1HB       ALA   2   0.651  10.696 -10.081
   11   2HB   ALA   2          2HB       ALA   2   1.770  11.488  -8.972
   12   3HB   ALA   2          3HB       ALA   2   0.076  11.292  -8.523
   13    H    ILE   3           H        ILE   3  -1.226   9.277  -8.017
   14    HA   ILE   3           HA       ILE   3  -1.084   9.402  -5.127
   15    HB   ILE   3           HB       ILE   3  -3.548   9.230  -6.879
   16   1HG1  ILE   3          2HG1      ILE   3  -2.282  11.676  -5.616
   17   2HG1  ILE   3          1HG1      ILE   3  -2.231  11.282  -7.330
   18   1HG2  ILE   3          1HG2      ILE   3  -3.279   8.808  -4.165
   19   2HG2  ILE   3          2HG2      ILE   3  -4.773   9.220  -5.008
   20   3HG2  ILE   3          3HG2      ILE   3  -3.800  10.490  -4.267
   21   1HD1  ILE   3          1HD1      ILE   3  -3.917  12.991  -6.728
   22   2HD1  ILE   3          2HD1      ILE   3  -4.763  11.768  -5.780
   23   3HD1  ILE   3          3HD1      ILE   3  -4.598  11.572  -7.526
   24    H    SER   4           H        SER   4   0.013   7.398  -4.980
   25    HA   SER   4           HA       SER   4  -0.840   4.970  -6.061
   26   1HB   SER   4          2HB       SER   4   0.680   5.168  -3.485
   27   2HB   SER   4          1HB       SER   4   0.897   4.051  -4.829
   28    HG   SER   4           HG       SER   4   1.488   6.056  -6.051
   29    H    CYS   5           H        CYS   5  -3.199   5.597  -5.353
   30    HA   CYS   5           HA       CYS   5  -3.822   4.005  -2.972
   31   1HB   CYS   5          2HB       CYS   5  -4.710   6.755  -3.702
   32   2HB   CYS   5          1HB       CYS   5  -5.841   5.703  -2.878
   33    H    GLY   6           H        GLY   6  -4.996   5.440  -5.962
   34   1HA   GLY   6          2HA       GLY   6  -7.389   4.010  -6.204
   35   2HA   GLY   6          1HA       GLY   6  -6.495   4.721  -7.539
   36    H    GLU   7           H        GLU   7  -4.100   3.099  -7.033
   37    HA   GLU   7           HA       GLU   7  -4.918   0.806  -8.556
   38   1HB   GLU   7          2HB       GLU   7  -2.214   1.511  -7.428
   39   2HB   GLU   7          1HB       GLU   7  -2.539   0.209  -8.560
   40   1HG   GLU   7          2HG       GLU   7  -1.917   1.715 -10.061
   41   2HG   GLU   7          1HG       GLU   7  -3.578   2.273  -9.915
   42    H    THR   8           H        THR   8  -4.642  -1.336  -8.032
   43    HA   THR   8           HA       THR   8  -5.091  -1.983  -5.250
   44    HB   THR   8           HB       THR   8  -5.075  -4.385  -6.237
   45    HG1  THR   8           1HG      THR   8  -5.695  -4.082  -8.619
   46   1HG2  THR   8          1HG2      THR   8  -7.272  -4.071  -6.038
   47   2HG2  THR   8          2HG2      THR   8  -7.301  -3.314  -7.630
   48   3HG2  THR   8          3HG2      THR   8  -7.053  -2.327  -6.189
   49    H    CYS   9           H        CYS   9  -3.734  -3.640  -4.136
   50    HA   CYS   9           HA       CYS   9  -1.082  -4.025  -5.201
   51   1HB   CYS   9          2HB       CYS   9  -1.007  -1.773  -4.190
   52   2HB   CYS   9          1HB       CYS   9  -1.483  -2.474  -2.647
   53    H    PHE  10           H        PHE  10  -1.156  -6.179  -4.977
   54    HA   PHE  10           HA       PHE  10  -2.024  -7.374  -2.472
   55   1HB   PHE  10          2HB       PHE  10  -1.259  -8.547  -5.149
   56   2HB   PHE  10          1HB       PHE  10  -1.680  -9.516  -3.752
   57    HD1  PHE  10           1HD      PHE  10  -3.779 -10.405  -3.825
   58    HD2  PHE  10           2HD      PHE  10  -3.136  -6.554  -5.520
   59    HE1  PHE  10           1HE      PHE  10  -6.151 -10.296  -4.472
   60    HE2  PHE  10           2HE      PHE  10  -5.506  -6.437  -6.164
   61    HZ   PHE  10           HZ       PHE  10  -7.017  -8.310  -5.641
   62    H    LYS  11           H        LYS  11   0.444  -5.859  -2.432
   63    HA   LYS  11           HA       LYS  11   2.184  -7.826  -1.253
   64   1HB   LYS  11          2HB       LYS  11   2.951  -6.468  -3.828
   65   2HB   LYS  11          1HB       LYS  11   4.182  -6.933  -2.666
   66   1HG   LYS  11          2HG       LYS  11   2.217  -8.799  -3.978
   67   2HG   LYS  11          1HG       LYS  11   3.913  -8.600  -4.424
   68   1HD   LYS  11          2HD       LYS  11   4.653  -9.499  -2.355
   69   2HD   LYS  11          1HD       LYS  11   3.034  -9.412  -1.661
   70   1HE   LYS  11          2HE       LYS  11   3.602 -11.703  -2.260
   71   2HE   LYS  11          1HE       LYS  11   2.261 -11.109  -3.238
   72   1HZ   LYS  11          1HZ       LYS  11   4.124 -12.379  -4.399
   73   2HZ   LYS  11          2HZ       LYS  11   5.043 -10.971  -4.218
   74   3HZ   LYS  11          3HZ       LYS  11   3.604 -10.932  -5.107
   75    H    PHE  12           H        PHE  12   3.961  -5.217  -2.418
   76    HA   PHE  12           HA       PHE  12   3.265  -3.337  -0.328
   77   1HB   PHE  12          2HB       PHE  12   4.860  -4.959   0.752
   78   2HB   PHE  12          1HB       PHE  12   6.068  -4.483  -0.436
   79    HD1  PHE  12           1HD      PHE  12   7.712  -3.368   0.752
   80    HD2  PHE  12           2HD      PHE  12   3.626  -2.407   1.459
   81    HE1  PHE  12           1HE      PHE  12   8.404  -1.500   2.198
   82    HE2  PHE  12           2HE      PHE  12   4.311  -0.538   2.905
   83    HZ   PHE  12           HZ       PHE  12   6.703  -0.083   3.275
   84    H    LYS  13           H        LYS  13   2.804  -2.788  -2.792
   85    HA   LYS  13           HA       LYS  13   5.106  -1.619  -4.088
   86   1HB   LYS  13          2HB       LYS  13   3.627  -2.793  -5.538
   87   2HB   LYS  13          1HB       LYS  13   2.228  -1.941  -4.910
   88   1HG   LYS  13          2HG       LYS  13   4.259  -0.213  -6.130
   89   2HG   LYS  13          1HG       LYS  13   3.494  -1.356  -7.236
   90   1HD   LYS  13          2HD       LYS  13   2.026   0.565  -5.425
   91   2HD   LYS  13          1HD       LYS  13   2.313   0.811  -7.149
   92   1HE   LYS  13          2HE       LYS  13   0.998  -1.145  -7.687
   93   2HE   LYS  13          1HE       LYS  13   0.801  -1.522  -5.977
   94   1HZ   LYS  13          1HZ       LYS  13  -1.175  -0.470  -6.775
   95   2HZ   LYS  13          2HZ       LYS  13  -0.302   0.832  -7.414
   96   3HZ   LYS  13          3HZ       LYS  13  -0.392   0.616  -5.738
   97    H    CYS  14           H        CYS  14   2.110  -0.497  -2.607
   98    HA   CYS  14           HA       CYS  14   2.857   2.267  -3.099
   99   1HB   CYS  14          2HB       CYS  14   0.445   1.080  -1.712
  100   2HB   CYS  14          1HB       CYS  14   0.693   2.800  -1.990
  101    H    TYR  15           H        TYR  15   3.618   3.664  -1.607
  102    HA   TYR  15           HA       TYR  15   3.541   3.092   1.207
  103   1HB   TYR  15          2HB       TYR  15   6.135   3.384   1.316
  104   2HB   TYR  15          1HB       TYR  15   5.456   1.800   0.966
  105    HD1  TYR  15           1HD      TYR  15   6.462   0.599  -0.707
  106    HD2  TYR  15           2HD      TYR  15   6.543   4.851  -0.930
  107    HE1  TYR  15           1HE      TYR  15   7.820   0.464  -2.753
  108    HE2  TYR  15           2HE      TYR  15   7.895   4.722  -2.981
  109    HH   TYR  15           HH       TYR  15   8.255   1.944  -4.774
  110    H    THR  16           H        THR  16   2.642   5.030  -0.669
  111    HA   THR  16           HA       THR  16   4.150   7.462  -0.188
  112    HB   THR  16           HB       THR  16   1.440   7.335  -1.491
  113    HG1  THR  16           1HG      THR  16   2.510   6.660  -3.441
  114   1HG2  THR  16          1HG2      THR  16   3.950   8.953  -1.887
  115   2HG2  THR  16          2HG2      THR  16   2.339   9.521  -1.451
  116   3HG2  THR  16          3HG2      THR  16   2.653   8.928  -3.081
  117    HA   PRO  17           HA       PRO  17   1.979   8.692   3.511
  118   1HB   PRO  17          2HB       PRO  17   1.470  11.285   2.121
  119   2HB   PRO  17          1HB       PRO  17   2.146  10.984   3.725
  120   1HG   PRO  17          2HG       PRO  17   3.728  11.682   1.704
  121   2HG   PRO  17          1HG       PRO  17   4.248  10.468   2.887
  122   1HD   PRO  17          2HD       PRO  17   3.301  10.102   0.084
  123   2HD   PRO  17          1HD       PRO  17   4.522   9.189   0.992
  124    H    ARG  18           H        ARG  18   0.071   7.809   3.855
  125    HA   ARG  18           HA       ARG  18  -2.119   7.330   3.875
  126   1HB   ARG  18          2HB       ARG  18  -2.343   9.772   4.211
  127   2HB   ARG  18          1HB       ARG  18  -2.465   9.981   2.475
  128   1HG   ARG  18          2HG       ARG  18  -4.611   9.927   3.959
  129   2HG   ARG  18          1HG       ARG  18  -4.602   9.135   2.383
  130   1HD   ARG  18          2HD       ARG  18  -5.632   7.710   4.074
  131   2HD   ARG  18          1HD       ARG  18  -4.146   6.989   3.459
  132    HE   ARG  18           HE       ARG  18  -3.949   8.522   5.925
  133   1HH1  ARG  18          1HH1      ARG  18  -4.068   5.400   4.329
  134   2HH1  ARG  18          2HH1      ARG  18  -3.569   4.523   5.748
  135   1HH2  ARG  18          1HH2      ARG  18  -3.297   7.357   7.800
  136   2HH2  ARG  18          2HH2      ARG  18  -3.140   5.634   7.720
  137    H    CYS  19           H        CYS  19  -0.416   6.511   1.738
  138    HA   CYS  19           HA       CYS  19  -2.398   5.454  -0.048
  139   1HB   CYS  19          2HB       CYS  19  -0.314   7.419  -0.867
  140   2HB   CYS  19          1HB       CYS  19  -0.573   6.039  -1.915
  141    H    SER  20           H        SER  20  -1.347   4.109   1.866
  142    HA   SER  20           HA       SER  20   1.154   2.860   1.066
  143   1HB   SER  20          2HB       SER  20   0.459   1.578   3.345
  144   2HB   SER  20          1HB       SER  20   1.360   3.092   3.304
  145    HG   SER  20           HG       SER  20  -1.466   3.145   3.295
  146    H    CYS  21           H        CYS  21   1.421   0.631   0.858
  147    HA   CYS  21           HA       CYS  21  -0.781  -0.611  -0.494
  148   1HB   CYS  21          2HB       CYS  21   1.417  -0.893  -1.422
  149   2HB   CYS  21          1HB       CYS  21   2.032  -1.578   0.073
  150    H    SER  22           H        SER  22  -2.301  -0.827   1.174
  151    HA   SER  22           HA       SER  22  -1.677  -2.703   3.313
  152   1HB   SER  22          2HB       SER  22  -4.230  -2.069   3.767
  153   2HB   SER  22          1HB       SER  22  -2.926  -1.001   4.277
  154    HG   SER  22           HG       SER  22  -4.174  -0.770   1.742
  155    H    TYR  23           H        TYR  23  -1.364  -4.390   1.794
  156    HA   TYR  23           HA       TYR  23  -2.803  -5.249  -0.249
  157   1HB   TYR  23          2HB       TYR  23  -1.953  -7.407   0.033
  158   2HB   TYR  23          1HB       TYR  23  -0.796  -6.377   0.860
  159    HD1  TYR  23           1HD      TYR  23  -0.442  -6.572   3.228
  160    HD2  TYR  23           2HD      TYR  23  -3.482  -8.849   1.307
  161    HE1  TYR  23           1HE      TYR  23  -0.647  -7.976   5.235
  162    HE2  TYR  23           2HE      TYR  23  -3.701 -10.256   3.316
  163    HH   TYR  23           HH       TYR  23  -3.162  -9.828   5.931
  164    HA   PRO  24           HA       PRO  24  -3.606  -6.074  -1.389
  165   1HB   PRO  24          2HB       PRO  24  -5.615  -6.844  -2.926
  166   2HB   PRO  24          1HB       PRO  24  -4.863  -7.983  -1.810
  167   1HG   PRO  24          2HG       PRO  24  -7.500  -6.635  -1.634
  168   2HG   PRO  24          1HG       PRO  24  -6.989  -8.195  -0.971
  169   1HD   PRO  24          2HD       PRO  24  -7.096  -5.638   0.361
  170   2HD   PRO  24          1HD       PRO  24  -6.618  -7.211   1.038
  171    H    VAL  25           H        VAL  25  -4.615  -3.514  -0.178
  172    HA   VAL  25           HA       VAL  25  -5.335  -2.210  -2.714
  173    HB   VAL  25           HB       VAL  25  -6.822  -1.460  -0.208
  174   1HG1  VAL  25          1HG1      VAL  25  -7.725  -0.985  -3.016
  175   2HG1  VAL  25          2HG1      VAL  25  -6.535   0.075  -2.258
  176   3HG1  VAL  25          3HG1      VAL  25  -8.137  -0.106  -1.543
  177   1HG2  VAL  25          1HG2      VAL  25  -8.175  -3.211  -0.365
  178   2HG2  VAL  25          2HG2      VAL  25  -7.265  -3.817  -1.750
  179   3HG2  VAL  25          3HG2      VAL  25  -8.614  -2.708  -1.998
  180    H    CYS  26           H        CYS  26  -4.649  -0.100  -2.885
  181    HA   CYS  26           HA       CYS  26  -2.636   0.740  -0.982
  182   1HB   CYS  26          2HB       CYS  26  -3.551   1.719  -3.688
  183   2HB   CYS  26          1HB       CYS  26  -2.317   2.540  -2.764
  184    H    LYS  27           H        LYS  27  -3.281   1.920   0.768
  185    HA   LYS  27           HA       LYS  27  -5.056   4.182   0.375
  186   1HB   LYS  27          2HB       LYS  27  -6.532   2.186   0.815
  187   2HB   LYS  27          1HB       LYS  27  -5.775   2.053   2.396
  188   1HG   LYS  27          2HG       LYS  27  -6.566   4.337   2.919
  189   2HG   LYS  27          1HG       LYS  27  -7.411   4.360   1.370
  190   1HD   LYS  27          2HD       LYS  27  -8.711   2.401   2.062
  191   2HD   LYS  27          1HD       LYS  27  -7.872   2.402   3.615
  192   1HE   LYS  27          2HE       LYS  27  -8.760   4.637   4.085
  193   2HE   LYS  27          1HE       LYS  27  -9.605   4.623   2.538
  194   1HZ   LYS  27          1HZ       LYS  27 -10.094   2.842   4.859
  195   2HZ   LYS  27          2HZ       LYS  27 -10.802   2.619   3.340
  196   3HZ   LYS  27          3HZ       LYS  27 -11.140   4.016   4.232
  Start of MODEL    6
    1   1H    SER   1          1HT       SER   1   0.161   7.716 -11.826
    2   2H    SER   1          2HT       SER   1   1.520   7.484 -10.839
    3   3H    SER   1          3HT       SER   1   1.479   8.775 -11.933
    4    HA   SER   1           HA       SER   1   0.158  10.046 -10.640
    5   1HB   SER   1          2HB       SER   1  -0.902   7.580  -9.252
    6   2HB   SER   1          1HB       SER   1  -1.669   9.162  -9.398
    7    HG   SER   1           HG       SER   1  -2.292   7.250 -10.862
    8    H    ALA   2           H        ALA   2   0.681  11.011  -8.610
    9    HA   ALA   2           HA       ALA   2   3.032  10.009  -7.337
   10   1HB   ALA   2          1HB       ALA   2   1.148  12.252  -6.615
   11   2HB   ALA   2          2HB       ALA   2   2.746  12.375  -7.351
   12   3HB   ALA   2          3HB       ALA   2   2.587  11.853  -5.674
   13    H    ILE   3           H        ILE   3  -0.310  10.441  -6.215
   14    HA   ILE   3           HA       ILE   3   0.171   8.636  -4.006
   15    HB   ILE   3           HB       ILE   3  -2.370  10.134  -4.654
   16   1HG1  ILE   3          2HG1      ILE   3  -0.569  11.748  -4.305
   17   2HG1  ILE   3          1HG1      ILE   3  -1.667  11.764  -2.930
   18   1HG2  ILE   3          1HG2      ILE   3  -1.422   8.816  -2.113
   19   2HG2  ILE   3          2HG2      ILE   3  -2.704   8.240  -3.178
   20   3HG2  ILE   3          3HG2      ILE   3  -2.908   9.749  -2.289
   21   1HD1  ILE   3          1HD1      ILE   3   0.222   9.945  -2.154
   22   2HD1  ILE   3          2HD1      ILE   3   0.172  11.646  -1.690
   23   3HD1  ILE   3          3HD1      ILE   3   1.168  11.133  -3.053
   24    H    SER   4           H        SER   4   0.472   6.833  -5.513
   25    HA   SER   4           HA       SER   4  -1.629   5.926  -7.186
   26   1HB   SER   4          2HB       SER   4   0.892   4.635  -6.149
   27   2HB   SER   4          1HB       SER   4  -0.189   3.863  -7.297
   28    HG   SER   4           HG       SER   4   0.812   4.929  -8.768
   29    H    CYS   5           H        CYS   5  -3.001   6.270  -4.959
   30    HA   CYS   5           HA       CYS   5  -3.105   3.771  -3.473
   31   1HB   CYS   5          2HB       CYS   5  -3.937   6.511  -3.014
   32   2HB   CYS   5          1HB       CYS   5  -5.186   5.348  -2.584
   33    H    GLY   6           H        GLY   6  -4.914   5.536  -5.849
   34   1HA   GLY   6          2HA       GLY   6  -7.303   3.977  -5.688
   35   2HA   GLY   6          1HA       GLY   6  -6.872   5.083  -6.981
   36    H    GLU   7           H        GLU   7  -5.158   2.217  -5.835
   37    HA   GLU   7           HA       GLU   7  -5.969   0.619  -8.065
   38   1HB   GLU   7          2HB       GLU   7  -3.634   0.284  -8.915
   39   2HB   GLU   7          1HB       GLU   7  -4.324   1.862  -9.256
   40   1HG   GLU   7          2HG       GLU   7  -3.053   2.278  -6.878
   41   2HG   GLU   7          1HG       GLU   7  -1.994   1.130  -7.689
   42    H    THR   8           H        THR   8  -5.162  -1.560  -7.916
   43    HA   THR   8           HA       THR   8  -5.112  -2.451  -5.214
   44    HB   THR   8           HB       THR   8  -4.806  -4.736  -6.337
   45    HG1  THR   8           1HG      THR   8  -4.028  -3.484  -8.339
   46   1HG2  THR   8          1HG2      THR   8  -7.123  -2.881  -6.730
   47   2HG2  THR   8          2HG2      THR   8  -6.978  -4.277  -5.663
   48   3HG2  THR   8          3HG2      THR   8  -7.177  -4.512  -7.399
   49    H    CYS   9           H        CYS   9  -3.567  -3.748  -4.183
   50    HA   CYS   9           HA       CYS   9  -0.888  -3.944  -5.275
   51   1HB   CYS   9          2HB       CYS   9  -0.866  -1.727  -4.250
   52   2HB   CYS   9          1HB       CYS   9  -1.509  -2.388  -2.754
   53    H    PHE  10           H        PHE  10  -1.024  -6.132  -5.137
   54    HA   PHE  10           HA       PHE  10  -2.052  -7.528  -2.890
   55   1HB   PHE  10          2HB       PHE  10  -0.516  -8.388  -5.332
   56   2HB   PHE  10          1HB       PHE  10  -0.993  -9.521  -4.079
   57    HD1  PHE  10           1HD      PHE  10  -2.809 -10.781  -4.623
   58    HD2  PHE  10           2HD      PHE  10  -2.659  -6.738  -5.944
   59    HE1  PHE  10           1HE      PHE  10  -5.008 -11.052  -5.691
   60    HE2  PHE  10           2HE      PHE  10  -4.859  -7.002  -7.014
   61    HZ   PHE  10           HZ       PHE  10  -6.036  -9.161  -6.888
   62    H    LYS  11           H        LYS  11   1.127  -6.413  -3.763
   63    HA   LYS  11           HA       LYS  11   2.286  -7.979  -1.571
   64   1HB   LYS  11          2HB       LYS  11   3.601  -6.541  -3.878
   65   2HB   LYS  11          1HB       LYS  11   4.486  -7.319  -2.571
   66   1HG   LYS  11          2HG       LYS  11   2.606  -8.695  -4.483
   67   2HG   LYS  11          1HG       LYS  11   4.369  -8.734  -4.557
   68   1HD   LYS  11          2HD       LYS  11   4.425  -9.808  -2.346
   69   2HD   LYS  11          1HD       LYS  11   2.661  -9.788  -2.300
   70   1HE   LYS  11          2HE       LYS  11   3.453 -11.979  -2.967
   71   2HE   LYS  11          1HE       LYS  11   2.610 -11.206  -4.309
   72   1HZ   LYS  11          1HZ       LYS  11   4.688 -12.311  -4.977
   73   2HZ   LYS  11          2HZ       LYS  11   5.562 -11.259  -3.981
   74   3HZ   LYS  11          3HZ       LYS  11   4.707 -10.652  -5.308
   75    H    PHE  12           H        PHE  12   4.176  -5.317  -2.421
   76    HA   PHE  12           HA       PHE  12   2.993  -3.483  -0.536
   77   1HB   PHE  12          2HB       PHE  12   4.372  -4.994   0.892
   78   2HB   PHE  12          1HB       PHE  12   5.789  -4.543  -0.052
   79    HD1  PHE  12           1HD      PHE  12   2.985  -2.482   1.260
   80    HD2  PHE  12           2HD      PHE  12   7.160  -3.306   1.351
   81    HE1  PHE  12           1HE      PHE  12   3.331  -0.541   2.728
   82    HE2  PHE  12           2HE      PHE  12   7.513  -1.365   2.823
   83    HZ   PHE  12           HZ       PHE  12   5.595   0.020   3.514
   84    H    LYS  13           H        LYS  13   2.838  -2.036  -2.209
   85    HA   LYS  13           HA       LYS  13   5.409  -1.005  -3.152
   86   1HB   LYS  13          2HB       LYS  13   4.322  -2.319  -4.937
   87   2HB   LYS  13          1HB       LYS  13   2.933  -1.247  -4.858
   88   1HG   LYS  13          2HG       LYS  13   4.578  -0.827  -6.726
   89   2HG   LYS  13          1HG       LYS  13   4.147   0.567  -5.738
   90   1HD   LYS  13          2HD       LYS  13   6.559   0.478  -6.209
   91   2HD   LYS  13          1HD       LYS  13   6.216   0.355  -4.484
   92   1HE   LYS  13          2HE       LYS  13   6.376  -2.164  -4.791
   93   2HE   LYS  13          1HE       LYS  13   7.060  -1.821  -6.379
   94   1HZ   LYS  13          1HZ       LYS  13   8.450  -1.983  -4.051
   95   2HZ   LYS  13          2HZ       LYS  13   8.302  -0.309  -4.279
   96   3HZ   LYS  13          3HZ       LYS  13   9.007  -1.272  -5.482
   97    H    CYS  14           H        CYS  14   2.174  -0.283  -2.102
   98    HA   CYS  14           HA       CYS  14   2.574   2.543  -2.597
   99   1HB   CYS  14          2HB       CYS  14   0.286   1.053  -1.306
  100   2HB   CYS  14          1HB       CYS  14   0.332   2.800  -1.518
  101    H    TYR  15           H        TYR  15   3.839   3.587  -1.344
  102    HA   TYR  15           HA       TYR  15   3.478   3.533   1.528
  103   1HB   TYR  15          2HB       TYR  15   6.115   3.500   1.670
  104   2HB   TYR  15          1HB       TYR  15   5.203   1.998   1.628
  105    HD1  TYR  15           1HD      TYR  15   6.569   4.392  -0.928
  106    HD2  TYR  15           2HD      TYR  15   6.173   0.354   0.363
  107    HE1  TYR  15           1HE      TYR  15   7.879   3.646  -2.872
  108    HE2  TYR  15           2HE      TYR  15   7.483  -0.400  -1.577
  109    HH   TYR  15           HH       TYR  15   9.155   1.832  -3.643
  110    H    THR  16           H        THR  16   2.948   5.234  -0.711
  111    HA   THR  16           HA       THR  16   4.757   7.472  -0.619
  112    HB   THR  16           HB       THR  16   2.239   8.131  -1.809
  113    HG1  THR  16           1HG      THR  16   2.574   6.253  -3.442
  114   1HG2  THR  16          1HG2      THR  16   4.790   7.310  -3.193
  115   2HG2  THR  16          2HG2      THR  16   4.547   8.893  -2.454
  116   3HG2  THR  16          3HG2      THR  16   3.533   8.384  -3.804
  117    HA   PRO  17           HA       PRO  17   2.977   9.856   2.644
  118   1HB   PRO  17          2HB       PRO  17   2.319  11.997   0.672
  119   2HB   PRO  17          1HB       PRO  17   3.208  12.107   2.194
  120   1HG   PRO  17          2HG       PRO  17   4.507  12.165  -0.124
  121   2HG   PRO  17          1HG       PRO  17   5.169  11.276   1.261
  122   1HD   PRO  17          2HD       PRO  17   3.790  10.237  -1.177
  123   2HD   PRO  17          1HD       PRO  17   5.155   9.549  -0.272
  124    H    ARG  18           H        ARG  18   1.129   9.219   3.453
  125    HA   ARG  18           HA       ARG  18  -1.047   8.906   3.876
  126   1HB   ARG  18          2HB       ARG  18  -1.289  11.300   3.386
  127   2HB   ARG  18          1HB       ARG  18  -1.494  10.939   1.682
  128   1HG   ARG  18          2HG       ARG  18  -3.597  11.460   2.971
  129   2HG   ARG  18          1HG       ARG  18  -3.621   9.959   2.046
  130   1HD   ARG  18          2HD       ARG  18  -2.738   8.976   4.352
  131   2HD   ARG  18          1HD       ARG  18  -3.569  10.392   4.987
  132    HE   ARG  18           HE       ARG  18  -4.757   8.029   3.821
  133   1HH1  ARG  18          1HH1      ARG  18  -5.265  11.373   4.742
  134   2HH1  ARG  18          2HH1      ARG  18  -6.991  11.243   4.752
  135   1HH2  ARG  18          1HH2      ARG  18  -7.027   7.849   3.841
  136   2HH2  ARG  18          2HH2      ARG  18  -7.999   9.229   4.239
  137    H    CYS  19           H        CYS  19   0.285   7.099   2.246
  138    HA   CYS  19           HA       CYS  19  -1.991   5.849   0.976
  139   1HB   CYS  19          2HB       CYS  19  -0.847   7.245  -0.817
  140   2HB   CYS  19          1HB       CYS  19   0.537   6.168  -0.647
  141    H    SER  20           H        SER  20  -2.010   3.814   1.676
  142    HA   SER  20           HA       SER  20   0.585   2.509   2.165
  143   1HB   SER  20          2HB       SER  20  -1.337   1.417   3.935
  144   2HB   SER  20          1HB       SER  20   0.107   2.347   4.330
  145    HG   SER  20           HG       SER  20  -2.366   3.544   3.583
  146    H    CYS  21           H        CYS  21   0.853   0.545   1.430
  147    HA   CYS  21           HA       CYS  21  -1.215  -0.588  -0.225
  148   1HB   CYS  21          2HB       CYS  21   0.976  -0.713  -1.144
  149   2HB   CYS  21          1HB       CYS  21   1.652  -1.393   0.330
  150    H    SER  22           H        SER  22  -2.821  -1.218   1.143
  151    HA   SER  22           HA       SER  22  -2.178  -3.193   3.210
  152   1HB   SER  22          2HB       SER  22  -3.668  -1.244   3.794
  153   2HB   SER  22          1HB       SER  22  -4.836  -1.846   2.617
  154    HG   SER  22           HG       SER  22  -5.069  -3.706   3.851
  155    H    TYR  23           H        TYR  23  -1.658  -4.805   1.741
  156    HA   TYR  23           HA       TYR  23  -2.753  -5.646  -0.508
  157   1HB   TYR  23          2HB       TYR  23  -1.884  -7.786  -0.148
  158   2HB   TYR  23          1HB       TYR  23  -0.893  -6.739   0.858
  159    HD1  TYR  23           1HD      TYR  23  -0.979  -6.899   3.275
  160    HD2  TYR  23           2HD      TYR  23  -3.447  -9.363   0.832
  161    HE1  TYR  23           1HE      TYR  23  -1.446  -8.338   5.214
  162    HE2  TYR  23           2HE      TYR  23  -3.924 -10.809   2.770
  163    HH   TYR  23           HH       TYR  23  -3.868 -10.288   5.513
  164    HA   PRO  24           HA       PRO  24  -3.344  -6.415  -1.763
  165   1HB   PRO  24          2HB       PRO  24  -5.065  -7.248  -3.611
  166   2HB   PRO  24          1HB       PRO  24  -4.365  -8.379  -2.455
  167   1HG   PRO  24          2HG       PRO  24  -7.121  -7.337  -2.619
  168   2HG   PRO  24          1HG       PRO  24  -6.522  -8.813  -1.845
  169   1HD   PRO  24          2HD       PRO  24  -7.067  -6.217  -0.642
  170   2HD   PRO  24          1HD       PRO  24  -6.653  -7.749   0.158
  171    H    VAL  25           H        VAL  25  -4.696  -3.981  -0.641
  172    HA   VAL  25           HA       VAL  25  -5.033  -2.572  -3.188
  173    HB   VAL  25           HB       VAL  25  -7.096  -2.079  -1.058
  174   1HG1  VAL  25          1HG1      VAL  25  -6.998  -0.286  -2.531
  175   2HG1  VAL  25          2HG1      VAL  25  -8.346  -1.252  -3.135
  176   3HG1  VAL  25          3HG1      VAL  25  -6.777  -1.329  -3.936
  177   1HG2  VAL  25          1HG2      VAL  25  -8.276  -3.447  -3.270
  178   2HG2  VAL  25          2HG2      VAL  25  -8.301  -3.876  -1.560
  179   3HG2  VAL  25          3HG2      VAL  25  -6.989  -4.445  -2.592
  180    H    CYS  26           H        CYS  26  -4.515  -0.389  -3.071
  181    HA   CYS  26           HA       CYS  26  -3.049   0.421  -0.724
  182   1HB   CYS  26          2HB       CYS  26  -3.557   1.808  -3.361
  183   2HB   CYS  26          1HB       CYS  26  -2.422   2.326  -2.130
  184    H    LYS  27           H        LYS  27  -3.702   1.934   0.759
  185    HA   LYS  27           HA       LYS  27  -5.987   3.628   0.191
  186   1HB   LYS  27          2HB       LYS  27  -6.875   1.414   1.050
  187   2HB   LYS  27          1HB       LYS  27  -6.074   1.776   2.574
  188   1HG   LYS  27          2HG       LYS  27  -7.418   3.791   2.815
  189   2HG   LYS  27          1HG       LYS  27  -8.210   3.450   1.275
  190   1HD   LYS  27          2HD       LYS  27  -8.979   1.279   2.245
  191   2HD   LYS  27          1HD       LYS  27  -8.340   1.816   3.801
  192   1HE   LYS  27          2HE       LYS  27 -10.741   2.248   3.621
  193   2HE   LYS  27          1HE       LYS  27  -9.820   3.746   3.760
  194   1HZ   LYS  27          1HZ       LYS  27 -10.154   4.249   1.531
  195   2HZ   LYS  27          2HZ       LYS  27 -11.654   3.631   2.011
  196   3HZ   LYS  27          3HZ       LYS  27 -10.587   2.666   1.122
  Start of MODEL    7
    1   1H    SER   1          1HT       SER   1   3.378  15.991  -6.013
    2   2H    SER   1          2HT       SER   1   3.232  16.018  -4.326
    3   3H    SER   1          3HT       SER   1   1.898  16.394  -5.297
    4    HA   SER   1           HA       SER   1   1.378  14.271  -5.673
    5   1HB   SER   1          2HB       SER   1   4.302  13.517  -5.516
    6   2HB   SER   1          1HB       SER   1   3.000  12.647  -6.330
    7    HG   SER   1           HG       SER   1   4.003  13.742  -7.932
    8    H    ALA   2           H        ALA   2   0.851  12.550  -4.281
    9    HA   ALA   2           HA       ALA   2   2.289  12.045  -1.860
   10   1HB   ALA   2          1HB       ALA   2  -0.388  12.865  -1.064
   11   2HB   ALA   2          2HB       ALA   2   0.563  14.200  -1.715
   12   3HB   ALA   2          3HB       ALA   2   1.175  13.264  -0.350
   13    H    ILE   3           H        ILE   3  -0.966  11.891  -3.288
   14    HA   ILE   3           HA       ILE   3  -1.493   9.306  -2.201
   15    HB   ILE   3           HB       ILE   3  -3.051  10.638  -4.415
   16   1HG1  ILE   3          2HG1      ILE   3  -2.764  12.251  -2.574
   17   2HG1  ILE   3          1HG1      ILE   3  -4.432  11.702  -2.691
   18   1HG2  ILE   3          1HG2      ILE   3  -3.541   8.420  -2.494
   19   2HG2  ILE   3          2HG2      ILE   3  -3.982   8.561  -4.196
   20   3HG2  ILE   3          3HG2      ILE   3  -4.907   9.430  -2.970
   21   1HD1  ILE   3          1HD1      ILE   3  -3.929  10.087  -0.846
   22   2HD1  ILE   3          2HD1      ILE   3  -3.863  11.791  -0.393
   23   3HD1  ILE   3          3HD1      ILE   3  -2.370  10.890  -0.662
   24    H    SER   4           H        SER   4   0.777   8.844  -3.364
   25    HA   SER   4           HA       SER   4   0.621   8.114  -6.122
   26   1HB   SER   4          2HB       SER   4   2.713   7.351  -4.081
   27   2HB   SER   4          1HB       SER   4   2.888   7.415  -5.828
   28    HG   SER   4           HG       SER   4   3.613   9.280  -4.369
   29    H    CYS   5           H        CYS   5  -1.442   6.855  -5.166
   30    HA   CYS   5           HA       CYS   5  -0.794   4.176  -4.284
   31   1HB   CYS   5          2HB       CYS   5  -3.449   5.458  -4.963
   32   2HB   CYS   5          1HB       CYS   5  -3.233   3.899  -4.190
   33    H    GLY   6           H        GLY   6  -2.795   5.475  -6.897
   34   1HA   GLY   6          2HA       GLY   6  -2.675   4.980  -9.176
   35   2HA   GLY   6          1HA       GLY   6  -1.571   3.666  -8.808
   36    H    GLU   7           H        GLU   7  -2.791   2.027  -7.204
   37    HA   GLU   7           HA       GLU   7  -5.527   1.530  -7.544
   38   1HB   GLU   7          2HB       GLU   7  -5.581  -0.246  -9.171
   39   2HB   GLU   7          1HB       GLU   7  -4.919   1.198  -9.919
   40   1HG   GLU   7          2HG       GLU   7  -2.941   0.241 -10.310
   41   2HG   GLU   7          1HG       GLU   7  -2.918  -0.600  -8.762
   42    H    THR   8           H        THR   8  -5.533  -1.214  -7.680
   43    HA   THR   8           HA       THR   8  -4.987  -1.967  -5.043
   44    HB   THR   8           HB       THR   8  -5.061  -4.327  -6.535
   45    HG1  THR   8           1HG      THR   8  -5.529  -3.035  -8.416
   46   1HG2  THR   8          1HG2      THR   8  -7.582  -2.984  -5.663
   47   2HG2  THR   8          2HG2      THR   8  -6.371  -3.403  -4.451
   48   3HG2  THR   8          3HG2      THR   8  -7.076  -4.662  -5.464
   49    H    CYS   9           H        CYS   9  -3.467  -3.524  -4.228
   50    HA   CYS   9           HA       CYS   9  -1.184  -4.187  -5.850
   51   1HB   CYS   9          2HB       CYS   9   0.427  -3.186  -4.239
   52   2HB   CYS   9          1HB       CYS   9  -0.536  -1.982  -5.088
   53    H    PHE  10           H        PHE  10  -1.293  -6.280  -5.518
   54    HA   PHE  10           HA       PHE  10  -2.031  -7.457  -3.017
   55   1HB   PHE  10          2HB       PHE  10  -1.113  -8.586  -5.656
   56   2HB   PHE  10          1HB       PHE  10  -1.428  -9.602  -4.262
   57    HD1  PHE  10           1HD      PHE  10  -3.394 -10.743  -4.478
   58    HD2  PHE  10           2HD      PHE  10  -3.214  -6.711  -5.831
   59    HE1  PHE  10           1HE      PHE  10  -5.776 -10.842  -5.085
   60    HE2  PHE  10           2HE      PHE  10  -5.596  -6.804  -6.437
   61    HZ   PHE  10           HZ       PHE  10  -6.880  -8.872  -6.064
   62    H    LYS  11           H        LYS  11   0.078  -5.942  -2.373
   63    HA   LYS  11           HA       LYS  11   1.850  -7.699  -1.122
   64   1HB   LYS  11          2HB       LYS  11   2.671  -7.891  -3.543
   65   2HB   LYS  11          1HB       LYS  11   3.226  -6.231  -3.377
   66   1HG   LYS  11          2HG       LYS  11   4.758  -6.835  -1.652
   67   2HG   LYS  11          1HG       LYS  11   4.087  -8.463  -1.551
   68   1HD   LYS  11          2HD       LYS  11   6.173  -8.524  -2.768
   69   2HD   LYS  11          1HD       LYS  11   4.842  -8.882  -3.867
   70   1HE   LYS  11          2HE       LYS  11   4.893  -6.576  -4.679
   71   2HE   LYS  11          1HE       LYS  11   6.216  -6.213  -3.573
   72   1HZ   LYS  11          1HZ       LYS  11   6.318  -7.393  -6.148
   73   2HZ   LYS  11          2HZ       LYS  11   7.012  -8.432  -5.008
   74   3HZ   LYS  11          3HZ       LYS  11   7.591  -6.850  -5.173
   75    H    PHE  12           H        PHE  12   3.657  -5.093  -2.276
   76    HA   PHE  12           HA       PHE  12   2.624  -3.141  -0.406
   77   1HB   PHE  12          2HB       PHE  12   4.184  -4.620   0.920
   78   2HB   PHE  12          1HB       PHE  12   5.485  -4.093  -0.140
   79    HD1  PHE  12           1HD      PHE  12   2.688  -2.232   1.477
   80    HD2  PHE  12           2HD      PHE  12   6.894  -2.732   1.068
   81    HE1  PHE  12           1HE      PHE  12   3.056  -0.266   2.910
   82    HE2  PHE  12           2HE      PHE  12   7.271  -0.768   2.501
   83    HZ   PHE  12           HZ       PHE  12   5.350   0.468   3.423
   84    H    LYS  13           H        LYS  13   2.317  -2.499  -2.775
   85    HA   LYS  13           HA       LYS  13   4.724  -1.441  -3.996
   86   1HB   LYS  13          2HB       LYS  13   3.103  -2.572  -5.439
   87   2HB   LYS  13          1HB       LYS  13   1.871  -1.400  -4.987
   88   1HG   LYS  13          2HG       LYS  13   2.773  -0.864  -7.164
   89   2HG   LYS  13          1HG       LYS  13   3.219   0.387  -6.001
   90   1HD   LYS  13          2HD       LYS  13   5.373  -1.105  -5.728
   91   2HD   LYS  13          1HD       LYS  13   4.920  -1.662  -7.340
   92   1HE   LYS  13          2HE       LYS  13   6.434   0.153  -7.619
   93   2HE   LYS  13          1HE       LYS  13   4.828   0.743  -8.043
   94   1HZ   LYS  13          1HZ       LYS  13   4.893   1.366  -5.464
   95   2HZ   LYS  13          2HZ       LYS  13   5.437   2.415  -6.676
   96   3HZ   LYS  13          3HZ       LYS  13   6.550   1.475  -5.809
   97    H    CYS  14           H        CYS  14   1.872  -0.272  -2.364
   98    HA   CYS  14           HA       CYS  14   2.521   2.490  -2.966
   99   1HB   CYS  14          2HB       CYS  14   0.356   1.426  -1.145
  100   2HB   CYS  14          1HB       CYS  14   0.457   3.035  -1.858
  101    H    TYR  15           H        TYR  15   3.766   3.701  -1.754
  102    HA   TYR  15           HA       TYR  15   3.918   3.424   1.106
  103   1HB   TYR  15          2HB       TYR  15   6.548   3.306   0.840
  104   2HB   TYR  15          1HB       TYR  15   5.580   1.838   0.865
  105    HD1  TYR  15           1HD      TYR  15   6.368   0.246  -0.589
  106    HD2  TYR  15           2HD      TYR  15   6.526   4.328  -1.784
  107    HE1  TYR  15           1HE      TYR  15   7.300  -0.430  -2.763
  108    HE2  TYR  15           2HE      TYR  15   7.455   3.662  -3.959
  109    HH   TYR  15           HH       TYR  15   8.854   0.903  -4.605
  110    H    THR  16           H        THR  16   2.893   5.495   0.120
  111    HA   THR  16           HA       THR  16   4.944   7.593   0.239
  112    HB   THR  16           HB       THR  16   2.598   7.693  -1.676
  113    HG1  THR  16           1HG      THR  16   5.101   6.501  -1.921
  114   1HG2  THR  16          1HG2      THR  16   3.578   9.863  -1.029
  115   2HG2  THR  16          2HG2      THR  16   3.853   9.498  -2.732
  116   3HG2  THR  16          3HG2      THR  16   5.160   9.295  -1.566
  117    HA   PRO  17           HA       PRO  17   2.596   9.371   3.543
  118   1HB   PRO  17          2HB       PRO  17   2.651  11.790   1.770
  119   2HB   PRO  17          1HB       PRO  17   2.924  11.673   3.513
  120   1HG   PRO  17          2HG       PRO  17   4.974  11.833   1.805
  121   2HG   PRO  17          1HG       PRO  17   5.059  10.825   3.261
  122   1HD   PRO  17          2HD       PRO  17   4.862  10.018   0.433
  123   2HD   PRO  17          1HD       PRO  17   5.446   9.097   1.831
  124    H    ARG  18           H        ARG  18   0.564   9.022   3.924
  125    HA   ARG  18           HA       ARG  18  -1.683   9.062   3.917
  126   1HB   ARG  18          2HB       ARG  18  -1.302  11.451   3.168
  127   2HB   ARG  18          1HB       ARG  18  -1.560  10.882   1.531
  128   1HG   ARG  18          2HG       ARG  18  -3.595  11.845   2.358
  129   2HG   ARG  18          1HG       ARG  18  -3.815  10.100   2.206
  130   1HD   ARG  18          2HD       ARG  18  -4.771  10.860   4.292
  131   2HD   ARG  18          1HD       ARG  18  -3.355   9.862   4.618
  132    HE   ARG  18           HE       ARG  18  -2.564  12.554   4.512
  133   1HH1  ARG  18          1HH1      ARG  18  -4.416  10.386   6.538
  134   2HH1  ARG  18          2HH1      ARG  18  -4.122  11.278   7.993
  135   1HH2  ARG  18          1HH2      ARG  18  -2.167  13.743   6.432
  136   2HH2  ARG  18          2HH2      ARG  18  -2.837  13.194   7.932
  137    H    CYS  19           H        CYS  19  -0.008   7.250   2.234
  138    HA   CYS  19           HA       CYS  19  -2.204   5.941   0.888
  139   1HB   CYS  19          2HB       CYS  19  -1.312   7.363  -0.911
  140   2HB   CYS  19          1HB       CYS  19   0.301   6.714  -0.636
  141    H    SER  20           H        SER  20  -2.097   3.880   1.553
  142    HA   SER  20           HA       SER  20   0.567   2.696   1.949
  143   1HB   SER  20          2HB       SER  20  -0.961   1.418   3.823
  144   2HB   SER  20          1HB       SER  20   0.137   2.757   4.143
  145    HG   SER  20           HG       SER  20  -2.493   3.318   3.305
  146    H    CYS  21           H        CYS  21   0.869   0.642   1.396
  147    HA   CYS  21           HA       CYS  21  -1.257  -0.586  -0.172
  148   1HB   CYS  21          2HB       CYS  21   0.985  -0.396  -1.187
  149   2HB   CYS  21          1HB       CYS  21   1.648  -1.413   0.087
  150    H    SER  22           H        SER  22  -2.593  -1.279   1.475
  151    HA   SER  22           HA       SER  22  -1.587  -3.226   3.379
  152   1HB   SER  22          2HB       SER  22  -4.333  -1.984   3.034
  153   2HB   SER  22          1HB       SER  22  -3.811  -2.990   4.372
  154    HG   SER  22           HG       SER  22  -3.249  -0.333   3.827
  155    H    TYR  23           H        TYR  23  -1.101  -4.654   1.580
  156    HA   TYR  23           HA       TYR  23  -2.625  -5.548  -0.412
  157   1HB   TYR  23          2HB       TYR  23  -1.354  -7.508  -0.503
  158   2HB   TYR  23          1HB       TYR  23  -0.306  -6.347   0.295
  159    HD1  TYR  23           1HD      TYR  23  -2.360  -9.360   0.748
  160    HD2  TYR  23           2HD      TYR  23   0.386  -6.672   2.579
  161    HE1  TYR  23           1HE      TYR  23  -2.033 -10.957   2.593
  162    HE2  TYR  23           2HE      TYR  23   0.718  -8.260   4.428
  163    HH   TYR  23           HH       TYR  23  -1.253 -10.632   5.190
  164    HA   PRO  24           HA       PRO  24  -3.377  -6.497  -1.560
  165   1HB   PRO  24          2HB       PRO  24  -5.430  -7.470  -2.931
  166   2HB   PRO  24          1HB       PRO  24  -4.324  -8.550  -2.083
  167   1HG   PRO  24          2HG       PRO  24  -7.104  -7.784  -1.397
  168   2HG   PRO  24          1HG       PRO  24  -6.220  -9.269  -1.015
  169   1HD   PRO  24          2HD       PRO  24  -6.611  -6.953   0.651
  170   2HD   PRO  24          1HD       PRO  24  -5.732  -8.447   1.040
  171    H    VAL  25           H        VAL  25  -4.402  -4.267  -0.042
  172    HA   VAL  25           HA       VAL  25  -6.007  -2.965  -2.149
  173    HB   VAL  25           HB       VAL  25  -6.478  -2.415   0.777
  174   1HG1  VAL  25          1HG1      VAL  25  -8.276  -1.120   0.125
  175   2HG1  VAL  25          2HG1      VAL  25  -8.414  -1.917  -1.441
  176   3HG1  VAL  25          3HG1      VAL  25  -7.091  -0.791  -1.139
  177   1HG2  VAL  25          1HG2      VAL  25  -7.553  -4.602  -0.876
  178   2HG2  VAL  25          2HG2      VAL  25  -8.744  -3.688   0.049
  179   3HG2  VAL  25          3HG2      VAL  25  -7.398  -4.473   0.876
  180    H    CYS  26           H        CYS  26  -5.588  -0.741  -2.390
  181    HA   CYS  26           HA       CYS  26  -3.274   0.241  -0.862
  182   1HB   CYS  26          2HB       CYS  26  -2.540  -0.265  -3.115
  183   2HB   CYS  26          1HB       CYS  26  -3.892   0.632  -3.793
  184    H    LYS  27           H        LYS  27  -3.891   1.839   0.413
  185    HA   LYS  27           HA       LYS  27  -5.319   4.079  -0.698
  186   1HB   LYS  27          2HB       LYS  27  -7.174   2.625   0.073
  187   2HB   LYS  27          1HB       LYS  27  -6.480   2.624   1.690
  188   1HG   LYS  27          2HG       LYS  27  -8.313   4.211   1.531
  189   2HG   LYS  27          1HG       LYS  27  -6.784   5.044   1.830
  190   1HD   LYS  27          2HD       LYS  27  -6.826   5.057  -0.871
  191   2HD   LYS  27          1HD       LYS  27  -8.555   5.114  -0.529
  192   1HE   LYS  27          2HE       LYS  27  -7.782   7.362  -0.700
  193   2HE   LYS  27          1HE       LYS  27  -8.104   7.040   1.002
  194   1HZ   LYS  27          1HZ       LYS  27  -6.060   7.857   1.314
  195   2HZ   LYS  27          2HZ       LYS  27  -5.616   7.677  -0.304
  196   3HZ   LYS  27          3HZ       LYS  27  -5.491   6.363   0.756
  Start of MODEL    8
    1   1H    SER   1          1HT       SER   1   4.917  10.981  -4.483
    2   2H    SER   1          2HT       SER   1   6.444  11.613  -4.127
    3   3H    SER   1          3HT       SER   1   6.163  10.876  -5.625
    4    HA   SER   1           HA       SER   1   6.053  13.524  -5.147
    5   1HB   SER   1          2HB       SER   1   4.478  12.119  -7.303
    6   2HB   SER   1          1HB       SER   1   5.413  13.613  -7.423
    7    HG   SER   1           HG       SER   1   6.789  12.177  -8.249
    8    H    ALA   2           H        ALA   2   3.224  11.365  -5.427
    9    HA   ALA   2           HA       ALA   2   1.666  13.124  -3.750
   10   1HB   ALA   2          1HB       ALA   2   1.505  13.434  -6.546
   11   2HB   ALA   2          2HB       ALA   2   0.446  14.133  -5.320
   12   3HB   ALA   2          3HB       ALA   2   0.041  12.580  -6.054
   13    H    ILE   3           H        ILE   3  -0.697  12.104  -3.708
   14    HA   ILE   3           HA       ILE   3  -0.353   9.395  -2.886
   15    HB   ILE   3           HB       ILE   3  -3.002  10.808  -3.127
   16   1HG1  ILE   3          2HG1      ILE   3  -1.072  10.982  -0.799
   17   2HG1  ILE   3          1HG1      ILE   3  -1.335  12.272  -1.969
   18   1HG2  ILE   3          1HG2      ILE   3  -3.648   8.813  -2.327
   19   2HG2  ILE   3          2HG2      ILE   3  -2.971   9.364  -0.795
   20   3HG2  ILE   3          3HG2      ILE   3  -2.005   8.361  -1.875
   21   1HD1  ILE   3          1HD1      ILE   3  -2.836  11.595   0.384
   22   2HD1  ILE   3          2HD1      ILE   3  -3.874  11.602  -1.042
   23   3HD1  ILE   3          3HD1      ILE   3  -2.925  13.032  -0.634
   24    H    SER   4           H        SER   4   0.338   9.218  -5.388
   25    HA   SER   4           HA       SER   4  -1.822   8.696  -7.197
   26   1HB   SER   4          2HB       SER   4   1.122   8.057  -7.457
   27   2HB   SER   4          1HB       SER   4  -0.056   8.180  -8.753
   28    HG   SER   4           HG       SER   4  -0.179  10.356  -8.460
   29    H    CYS   5           H        CYS   5  -2.460   7.139  -5.181
   30    HA   CYS   5           HA       CYS   5  -1.440   4.469  -5.779
   31   1HB   CYS   5          2HB       CYS   5  -2.915   5.441  -3.330
   32   2HB   CYS   5          1HB       CYS   5  -2.113   3.894  -3.538
   33    H    GLY   6           H        GLY   6  -4.150   4.280  -3.925
   34   1HA   GLY   6          2HA       GLY   6  -6.384   3.827  -4.297
   35   2HA   GLY   6          1HA       GLY   6  -6.204   4.509  -5.905
   36    H    GLU   7           H        GLU   7  -4.147   2.768  -6.787
   37    HA   GLU   7           HA       GLU   7  -5.571   0.707  -7.971
   38   1HB   GLU   7          2HB       GLU   7  -3.358  -0.156  -8.646
   39   2HB   GLU   7          1HB       GLU   7  -3.498   1.584  -8.879
   40   1HG   GLU   7          2HG       GLU   7  -2.260   1.978  -6.830
   41   2HG   GLU   7          1HG       GLU   7  -2.155   0.247  -6.538
   42    H    THR   8           H        THR   8  -4.731  -1.616  -7.936
   43    HA   THR   8           HA       THR   8  -5.229  -2.730  -5.316
   44    HB   THR   8           HB       THR   8  -4.886  -4.928  -6.631
   45    HG1  THR   8           1HG      THR   8  -3.851  -3.656  -8.419
   46   1HG2  THR   8          1HG2      THR   8  -7.122  -3.072  -7.462
   47   2HG2  THR   8          2HG2      THR   8  -7.088  -4.025  -5.979
   48   3HG2  THR   8          3HG2      THR   8  -7.141  -4.834  -7.545
   49    H    CYS   9           H        CYS   9  -3.726  -4.025  -4.148
   50    HA   CYS   9           HA       CYS   9  -1.038  -4.258  -5.196
   51   1HB   CYS   9          2HB       CYS   9  -1.063  -2.012  -4.238
   52   2HB   CYS   9          1HB       CYS   9  -1.644  -2.658  -2.708
   53    H    PHE  10           H        PHE  10  -1.052  -6.423  -4.971
   54    HA   PHE  10           HA       PHE  10  -1.903  -7.678  -2.509
   55   1HB   PHE  10          2HB       PHE  10  -0.805  -8.787  -5.097
   56   2HB   PHE  10          1HB       PHE  10  -1.275  -9.778  -3.732
   57    HD1  PHE  10           1HD      PHE  10  -2.799  -6.958  -5.666
   58    HD2  PHE  10           2HD      PHE  10  -3.274 -10.843  -3.993
   59    HE1  PHE  10           1HE      PHE  10  -5.101  -7.041  -6.525
   60    HE2  PHE  10           2HE      PHE  10  -5.578 -10.932  -4.850
   61    HZ   PHE  10           HZ       PHE  10  -6.495  -9.030  -6.118
   62    H    LYS  11           H        LYS  11   0.639  -5.945  -2.795
   63    HA   LYS  11           HA       LYS  11   2.359  -7.757  -1.286
   64   1HB   LYS  11          2HB       LYS  11   3.291  -6.249  -3.740
   65   2HB   LYS  11          1HB       LYS  11   4.376  -6.985  -2.572
   66   1HG   LYS  11          2HG       LYS  11   2.374  -8.438  -4.292
   67   2HG   LYS  11          1HG       LYS  11   4.119  -8.376  -4.547
   68   1HD   LYS  11          2HD       LYS  11   2.729  -9.567  -2.146
   69   2HD   LYS  11          1HD       LYS  11   3.421 -10.477  -3.488
   70   1HE   LYS  11          2HE       LYS  11   5.636  -9.641  -2.937
   71   2HE   LYS  11          1HE       LYS  11   4.960  -8.659  -1.636
   72   1HZ   LYS  11          1HZ       LYS  11   4.062 -10.960  -0.840
   73   2HZ   LYS  11          2HZ       LYS  11   5.650 -10.496  -0.490
   74   3HZ   LYS  11          3HZ       LYS  11   5.344 -11.566  -1.764
   75    H    PHE  12           H        PHE  12   3.963  -5.035  -2.463
   76    HA   PHE  12           HA       PHE  12   3.071  -3.187  -0.426
   77   1HB   PHE  12          2HB       PHE  12   4.773  -4.656   0.715
   78   2HB   PHE  12          1HB       PHE  12   5.962  -4.095  -0.455
   79    HD1  PHE  12           1HD      PHE  12   7.474  -2.810   0.728
   80    HD2  PHE  12           2HD      PHE  12   3.308  -2.225   1.371
   81    HE1  PHE  12           1HE      PHE  12   7.971  -0.873   2.161
   82    HE2  PHE  12           2HE      PHE  12   3.798  -0.285   2.804
   83    HZ   PHE  12           HZ       PHE  12   6.132   0.392   3.200
   84    H    LYS  13           H        LYS  13   2.524  -2.480  -2.690
   85    HA   LYS  13           HA       LYS  13   4.707  -1.387  -4.225
   86   1HB   LYS  13          2HB       LYS  13   3.147  -2.301  -5.648
   87   2HB   LYS  13          1HB       LYS  13   1.795  -1.823  -4.639
   88   1HG   LYS  13          2HG       LYS  13   1.568  -0.532  -6.555
   89   2HG   LYS  13          1HG       LYS  13   2.309   0.564  -5.389
   90   1HD   LYS  13          2HD       LYS  13   4.492   0.182  -6.397
   91   2HD   LYS  13          1HD       LYS  13   3.780  -0.964  -7.536
   92   1HE   LYS  13          2HE       LYS  13   3.131   1.975  -7.321
   93   2HE   LYS  13          1HE       LYS  13   4.103   1.218  -8.580
   94   1HZ   LYS  13          1HZ       LYS  13   1.689  -0.148  -8.514
   95   2HZ   LYS  13          2HZ       LYS  13   2.227   0.917  -9.706
   96   3HZ   LYS  13          3HZ       LYS  13   1.282   1.492  -8.424
   97    H    CYS  14           H        CYS  14   1.826  -0.086  -2.627
   98    HA   CYS  14           HA       CYS  14   2.781   2.608  -3.081
   99   1HB   CYS  14          2HB       CYS  14   0.309   1.695  -1.615
  100   2HB   CYS  14          1HB       CYS  14   0.644   3.316  -2.224
  101    H    TYR  15           H        TYR  15   3.829   3.818  -1.691
  102    HA   TYR  15           HA       TYR  15   3.587   3.442   1.158
  103   1HB   TYR  15          2HB       TYR  15   6.175   3.373   1.336
  104   2HB   TYR  15          1HB       TYR  15   5.312   1.885   0.974
  105    HD1  TYR  15           1HD      TYR  15   6.615   4.752  -1.077
  106    HD2  TYR  15           2HD      TYR  15   6.449   0.540  -0.487
  107    HE1  TYR  15           1HE      TYR  15   8.002   4.422  -3.080
  108    HE2  TYR  15           2HE      TYR  15   7.837   0.200  -2.488
  109    HH   TYR  15           HH       TYR  15   8.766   1.173  -4.272
  110    H    THR  16           H        THR  16   2.947   5.484  -0.739
  111    HA   THR  16           HA       THR  16   4.846   7.637  -0.204
  112    HB   THR  16           HB       THR  16   2.296   7.629  -1.864
  113    HG1  THR  16           1HG      THR  16   4.633   6.565  -2.385
  114   1HG2  THR  16          1HG2      THR  16   2.712   9.789  -2.498
  115   2HG2  THR  16          2HG2      THR  16   4.447   9.657  -2.208
  116   3HG2  THR  16          3HG2      THR  16   3.339   9.847  -0.849
  117    HA   PRO  17           HA       PRO  17   2.901   9.144   3.490
  118   1HB   PRO  17          2HB       PRO  17   2.655  11.829   2.491
  119   2HB   PRO  17          1HB       PRO  17   3.826  11.194   3.647
  120   1HG   PRO  17          2HG       PRO  17   4.107  11.658   0.748
  121   2HG   PRO  17          1HG       PRO  17   5.357  11.569   2.002
  122   1HD   PRO  17          2HD       PRO  17   5.031   9.616   0.182
  123   2HD   PRO  17          1HD       PRO  17   5.510   9.259   1.856
  124    H    ARG  18           H        ARG  18   0.883   9.044   4.118
  125    HA   ARG  18           HA       ARG  18  -1.364   9.215   4.270
  126   1HB   ARG  18          2HB       ARG  18  -1.054  11.554   3.520
  127   2HB   ARG  18          1HB       ARG  18  -1.174  11.018   1.856
  128   1HG   ARG  18          2HG       ARG  18  -3.255  12.023   2.632
  129   2HG   ARG  18          1HG       ARG  18  -3.477  10.323   2.225
  130   1HD   ARG  18          2HD       ARG  18  -4.647  10.809   4.273
  131   2HD   ARG  18          1HD       ARG  18  -3.274   9.761   4.623
  132    HE   ARG  18           HE       ARG  18  -2.472  12.424   4.962
  133   1HH1  ARG  18          1HH1      ARG  18  -4.596  10.074   6.439
  134   2HH1  ARG  18          2HH1      ARG  18  -4.485  10.768   8.023
  135   1HH2  ARG  18          1HH2      ARG  18  -2.315  13.355   7.056
  136   2HH2  ARG  18          2HH2      ARG  18  -3.182  12.642   8.375
  137    H    CYS  19           H        CYS  19   0.160   7.317   2.560
  138    HA   CYS  19           HA       CYS  19  -2.118   6.007   1.375
  139   1HB   CYS  19          2HB       CYS  19  -1.491   7.087  -0.597
  140   2HB   CYS  19          1HB       CYS  19   0.224   7.006  -0.215
  141    H    SER  20           H        SER  20  -1.913   3.792   1.403
  142    HA   SER  20           HA       SER  20   0.698   2.623   1.892
  143   1HB   SER  20          2HB       SER  20  -0.683   1.300   3.818
  144   2HB   SER  20          1HB       SER  20   0.398   2.656   4.111
  145    HG   SER  20           HG       SER  20  -2.146   3.409   3.401
  146    H    CYS  21           H        CYS  21   0.930   0.620   1.210
  147    HA   CYS  21           HA       CYS  21  -1.229  -0.474  -0.361
  148   1HB   CYS  21          2HB       CYS  21   0.818  -0.736  -1.461
  149   2HB   CYS  21          1HB       CYS  21   1.674  -1.224  -0.007
  150    H    SER  22           H        SER  22  -2.773  -1.088   1.066
  151    HA   SER  22           HA       SER  22  -2.061  -2.996   3.161
  152   1HB   SER  22          2HB       SER  22  -3.554  -1.073   3.747
  153   2HB   SER  22          1HB       SER  22  -4.727  -1.663   2.570
  154    HG   SER  22           HG       SER  22  -4.996  -3.512   3.805
  155    H    TYR  23           H        TYR  23  -1.612  -4.757   1.893
  156    HA   TYR  23           HA       TYR  23  -2.778  -5.647  -0.347
  157   1HB   TYR  23          2HB       TYR  23  -1.916  -7.790   0.069
  158   2HB   TYR  23          1HB       TYR  23  -0.856  -6.703   0.954
  159    HD1  TYR  23           1HD      TYR  23  -0.717  -6.793   3.353
  160    HD2  TYR  23           2HD      TYR  23  -3.490  -9.247   1.254
  161    HE1  TYR  23           1HE      TYR  23  -1.060  -8.133   5.386
  162    HE2  TYR  23           2HE      TYR  23  -3.843 -10.592   3.287
  163    HH   TYR  23           HH       TYR  23  -3.549 -10.032   5.939
  164    HA   PRO  24           HA       PRO  24  -3.444  -6.527  -1.538
  165   1HB   PRO  24          2HB       PRO  24  -5.255  -7.441  -3.234
  166   2HB   PRO  24          1HB       PRO  24  -4.567  -8.504  -2.007
  167   1HG   PRO  24          2HG       PRO  24  -7.269  -7.292  -2.147
  168   2HG   PRO  24          1HG       PRO  24  -6.748  -8.790  -1.359
  169   1HD   PRO  24          2HD       PRO  24  -7.101  -6.171  -0.183
  170   2HD   PRO  24          1HD       PRO  24  -6.653  -7.689   0.623
  171    H    VAL  25           H        VAL  25  -4.689  -3.956  -0.545
  172    HA   VAL  25           HA       VAL  25  -5.111  -2.784  -3.198
  173    HB   VAL  25           HB       VAL  25  -7.065  -1.978  -1.076
  174   1HG1  VAL  25          1HG1      VAL  25  -8.353  -1.682  -3.395
  175   2HG1  VAL  25          2HG1      VAL  25  -6.690  -1.546  -3.967
  176   3HG1  VAL  25          3HG1      VAL  25  -7.286  -0.454  -2.716
  177   1HG2  VAL  25          1HG2      VAL  25  -8.027  -4.001  -1.109
  178   2HG2  VAL  25          2HG2      VAL  25  -7.131  -4.508  -2.541
  179   3HG2  VAL  25          3HG2      VAL  25  -8.595  -3.542  -2.714
  180    H    CYS  26           H        CYS  26  -4.471  -0.675  -3.353
  181    HA   CYS  26           HA       CYS  26  -2.984   0.421  -1.133
  182   1HB   CYS  26          2HB       CYS  26  -3.416   1.218  -4.006
  183   2HB   CYS  26          1HB       CYS  26  -2.567   2.246  -2.871
  184    H    LYS  27           H        LYS  27  -3.791   1.917   0.240
  185    HA   LYS  27           HA       LYS  27  -5.901   3.705  -0.633
  186   1HB   LYS  27          2HB       LYS  27  -6.175   1.665   1.556
  187   2HB   LYS  27          1HB       LYS  27  -7.057   3.178   1.630
  188   1HG   LYS  27          2HG       LYS  27  -7.225   1.170  -0.606
  189   2HG   LYS  27          1HG       LYS  27  -8.407   1.368   0.689
  190   1HD   LYS  27          2HD       LYS  27  -9.075   3.480  -0.092
  191   2HD   LYS  27          1HD       LYS  27  -7.643   3.649  -1.110
  192   1HE   LYS  27          2HE       LYS  27  -9.849   1.636  -1.533
  193   2HE   LYS  27          1HE       LYS  27  -9.688   3.161  -2.404
  194   1HZ   LYS  27          1HZ       LYS  27  -8.399   2.090  -3.841
  195   2HZ   LYS  27          2HZ       LYS  27  -8.407   0.686  -2.901
  196   3HZ   LYS  27          3HZ       LYS  27  -7.242   1.881  -2.620
  Start of MODEL    9
    1   1H    SER   1          1HT       SER   1   8.690   8.955  -6.952
    2   2H    SER   1          2HT       SER   1   7.022   9.048  -7.229
    3   3H    SER   1          3HT       SER   1   7.607   8.314  -5.821
    4    HA   SER   1           HA       SER   1   7.904  10.233  -4.753
    5   1HB   SER   1          2HB       SER   1   8.549  11.638  -7.345
    6   2HB   SER   1          1HB       SER   1   9.078  12.055  -5.713
    7    HG   SER   1           HG       SER   1  10.794  11.035  -6.608
    8    H    ALA   2           H        ALA   2   5.407   9.435  -5.389
    9    HA   ALA   2           HA       ALA   2   3.914  11.856  -5.363
   10   1HB   ALA   2          1HB       ALA   2   2.699  11.683  -7.391
   11   2HB   ALA   2          2HB       ALA   2   3.382  10.097  -7.751
   12   3HB   ALA   2          3HB       ALA   2   4.399  11.535  -7.834
   13    H    ILE   3           H        ILE   3   1.871  11.498  -4.516
   14    HA   ILE   3           HA       ILE   3   1.434   8.963  -3.283
   15    HB   ILE   3           HB       ILE   3  -0.565  11.214  -3.335
   16   1HG1  ILE   3          2HG1      ILE   3   1.811  10.954  -1.474
   17   2HG1  ILE   3          1HG1      ILE   3   1.690  12.121  -2.786
   18   1HG2  ILE   3          1HG2      ILE   3  -1.336   9.161  -2.319
   19   2HG2  ILE   3          2HG2      ILE   3  -1.066  10.367  -1.059
   20   3HG2  ILE   3          3HG2      ILE   3   0.110   9.077  -1.313
   21   1HD1  ILE   3          1HD1      ILE   3   0.026  11.989  -0.289
   22   2HD1  ILE   3          2HD1      ILE   3  -0.343  13.040  -1.656
   23   3HD1  ILE   3          3HD1      ILE   3   1.167  13.245  -0.767
   24    H    SER   4           H        SER   4   1.452   8.516  -5.955
   25    HA   SER   4           HA       SER   4  -1.238   8.470  -7.003
   26   1HB   SER   4          2HB       SER   4   0.728   8.824  -8.479
   27   2HB   SER   4          1HB       SER   4   1.282   7.194  -8.102
   28    HG   SER   4           HG       SER   4  -0.602   6.389  -9.069
   29    H    CYS   5           H        CYS   5  -2.633   7.008  -6.237
   30    HA   CYS   5           HA       CYS   5  -1.753   4.263  -5.987
   31   1HB   CYS   5          2HB       CYS   5  -3.267   5.848  -3.902
   32   2HB   CYS   5          1HB       CYS   5  -3.064   4.109  -3.877
   33    H    GLY   6           H        GLY   6  -4.712   4.568  -4.623
   34   1HA   GLY   6          2HA       GLY   6  -6.847   4.034  -5.304
   35   2HA   GLY   6          1HA       GLY   6  -6.503   5.028  -6.714
   36    H    GLU   7           H        GLU   7  -4.927   2.054  -5.684
   37    HA   GLU   7           HA       GLU   7  -6.110   0.551  -7.883
   38   1HB   GLU   7          2HB       GLU   7  -3.789  -0.175  -8.581
   39   2HB   GLU   7          1HB       GLU   7  -4.188   1.498  -8.961
   40   1HG   GLU   7          2HG       GLU   7  -2.949   2.270  -7.046
   41   2HG   GLU   7          1HG       GLU   7  -2.629   0.617  -6.543
   42    H    THR   8           H        THR   8  -4.903  -1.695  -7.870
   43    HA   THR   8           HA       THR   8  -5.250  -2.762  -5.192
   44    HB   THR   8           HB       THR   8  -4.837  -4.980  -6.424
   45    HG1  THR   8           1HG      THR   8  -3.944  -3.623  -8.302
   46   1HG2  THR   8          1HG2      THR   8  -7.059  -4.941  -6.145
   47   2HG2  THR   8          2HG2      THR   8  -7.154  -4.352  -7.805
   48   3HG2  THR   8          3HG2      THR   8  -7.145  -3.209  -6.463
   49    H    CYS   9           H        CYS   9  -3.616  -4.005  -4.125
   50    HA   CYS   9           HA       CYS   9  -0.944  -3.959  -5.248
   51   1HB   CYS   9          2HB       CYS   9  -1.171  -1.762  -4.187
   52   2HB   CYS   9          1HB       CYS   9  -1.625  -2.534  -2.674
   53    H    PHE  10           H        PHE  10  -0.813  -6.131  -5.131
   54    HA   PHE  10           HA       PHE  10  -1.458  -7.558  -2.702
   55   1HB   PHE  10          2HB       PHE  10  -0.388  -8.468  -5.380
   56   2HB   PHE  10          1HB       PHE  10  -0.756  -9.547  -4.051
   57    HD1  PHE  10           1HD      PHE  10  -2.733 -10.677  -4.205
   58    HD2  PHE  10           2HD      PHE  10  -2.466  -6.786  -5.910
   59    HE1  PHE  10           1HE      PHE  10  -5.047 -10.875  -5.014
   60    HE2  PHE  10           2HE      PHE  10  -4.783  -6.975  -6.715
   61    HZ   PHE  10           HZ       PHE  10  -6.076  -9.022  -6.268
   62    H    LYS  11           H        LYS  11   0.586  -5.761  -2.167
   63    HA   LYS  11           HA       LYS  11   2.586  -7.437  -1.097
   64   1HB   LYS  11          2HB       LYS  11   3.091  -7.168  -3.702
   65   2HB   LYS  11          1HB       LYS  11   3.830  -5.670  -3.153
   66   1HG   LYS  11          2HG       LYS  11   5.308  -6.881  -1.687
   67   2HG   LYS  11          1HG       LYS  11   4.510  -8.403  -2.089
   68   1HD   LYS  11          2HD       LYS  11   5.172  -8.001  -4.479
   69   2HD   LYS  11          1HD       LYS  11   6.147  -6.645  -3.909
   70   1HE   LYS  11          2HE       LYS  11   7.529  -8.620  -4.168
   71   2HE   LYS  11          1HE       LYS  11   7.408  -8.180  -2.465
   72   1HZ   LYS  11          1HZ       LYS  11   6.807 -10.629  -3.634
   73   2HZ   LYS  11          2HZ       LYS  11   5.334  -9.972  -3.123
   74   3HZ   LYS  11          3HZ       LYS  11   6.598 -10.177  -2.017
   75    H    PHE  12           H        PHE  12   4.104  -4.657  -2.195
   76    HA   PHE  12           HA       PHE  12   3.096  -2.856  -0.175
   77   1HB   PHE  12          2HB       PHE  12   5.546  -2.527   0.656
   78   2HB   PHE  12          1HB       PHE  12   4.586  -3.847   1.306
   79    HD1  PHE  12           1HD      PHE  12   5.747  -5.774   1.638
   80    HD2  PHE  12           2HD      PHE  12   6.799  -3.325  -1.679
   81    HE1  PHE  12           1HE      PHE  12   7.517  -7.367   1.028
   82    HE2  PHE  12           2HE      PHE  12   8.568  -4.917  -2.298
   83    HZ   PHE  12           HZ       PHE  12   8.929  -6.942  -0.944
   84    H    LYS  13           H        LYS  13   2.709  -2.304  -2.625
   85    HA   LYS  13           HA       LYS  13   4.949  -0.958  -3.847
   86   1HB   LYS  13          2HB       LYS  13   3.414  -2.291  -5.217
   87   2HB   LYS  13          1HB       LYS  13   2.080  -1.258  -4.745
   88   1HG   LYS  13          2HG       LYS  13   4.443  -0.120  -6.188
   89   2HG   LYS  13          1HG       LYS  13   3.165  -0.957  -7.067
   90   1HD   LYS  13          2HD       LYS  13   1.536   0.614  -5.929
   91   2HD   LYS  13          1HD       LYS  13   2.938   1.534  -5.386
   92   1HE   LYS  13          2HE       LYS  13   2.250   2.617  -7.343
   93   2HE   LYS  13          1HE       LYS  13   3.613   1.619  -7.850
   94   1HZ   LYS  13          1HZ       LYS  13   1.772  -0.087  -8.406
   95   2HZ   LYS  13          2HZ       LYS  13   2.034   1.203  -9.463
   96   3HZ   LYS  13          3HZ       LYS  13   0.733   1.252  -8.378
   97    H    CYS  14           H        CYS  14   1.835  -0.026  -2.465
   98    HA   CYS  14           HA       CYS  14   2.429   2.767  -2.930
   99   1HB   CYS  14          2HB       CYS  14   0.076   1.484  -1.538
  100   2HB   CYS  14          1HB       CYS  14   0.213   3.187  -1.969
  101    H    TYR  15           H        TYR  15   4.331   2.829  -1.648
  102    HA   TYR  15           HA       TYR  15   3.891   2.786   1.252
  103   1HB   TYR  15          2HB       TYR  15   6.449   2.957   1.293
  104   2HB   TYR  15          1HB       TYR  15   5.756   1.443   0.726
  105    HD1  TYR  15           1HD      TYR  15   6.766   0.496  -1.104
  106    HD2  TYR  15           2HD      TYR  15   6.796   4.736  -0.745
  107    HE1  TYR  15           1HE      TYR  15   8.078   0.659  -3.178
  108    HE2  TYR  15           2HE      TYR  15   8.105   4.909  -2.818
  109    HH   TYR  15           HH       TYR  15   9.216   2.018  -4.537
  110    H    THR  16           H        THR  16   3.684   4.894  -1.199
  111    HA   THR  16           HA       THR  16   5.155   7.138  -0.299
  112    HB   THR  16           HB       THR  16   2.636   7.241  -1.976
  113    HG1  THR  16           1HG      THR  16   3.695   6.189  -3.464
  114   1HG2  THR  16          1HG2      THR  16   3.685   9.191  -2.969
  115   2HG2  THR  16          2HG2      THR  16   5.129   8.949  -1.986
  116   3HG2  THR  16          3HG2      THR  16   3.603   9.389  -1.219
  117    HA   PRO  17           HA       PRO  17   2.944   8.430   3.331
  118   1HB   PRO  17          2HB       PRO  17   3.419  11.114   2.095
  119   2HB   PRO  17          1HB       PRO  17   3.673  10.585   3.762
  120   1HG   PRO  17          2HG       PRO  17   5.729  10.814   2.091
  121   2HG   PRO  17          1HG       PRO  17   5.644   9.475   3.250
  122   1HD   PRO  17          2HD       PRO  17   5.221   9.463   0.309
  123   2HD   PRO  17          1HD       PRO  17   5.833   8.179   1.369
  124    H    ARG  18           H        ARG  18   0.900   8.854   3.847
  125    HA   ARG  18           HA       ARG  18  -1.276   9.456   3.774
  126   1HB   ARG  18          2HB       ARG  18  -0.555  11.592   2.798
  127   2HB   ARG  18          1HB       ARG  18  -0.566  10.869   1.203
  128   1HG   ARG  18          2HG       ARG  18  -2.523  12.314   1.673
  129   2HG   ARG  18          1HG       ARG  18  -2.954  10.661   1.242
  130   1HD   ARG  18          2HD       ARG  18  -2.679  11.465   4.117
  131   2HD   ARG  18          1HD       ARG  18  -4.162  11.813   3.228
  132    HE   ARG  18           HE       ARG  18  -3.556   9.128   2.805
  133   1HH1  ARG  18          1HH1      ARG  18  -4.456  11.200   5.486
  134   2HH1  ARG  18          2HH1      ARG  18  -5.218   9.928   6.381
  135   1HH2  ARG  18          1HH2      ARG  18  -4.553   7.448   3.974
  136   2HH2  ARG  18          2HH2      ARG  18  -5.269   7.779   5.519
  137    H    CYS  19           H        CYS  19   0.173   7.230   2.185
  138    HA   CYS  19           HA       CYS  19  -2.276   6.028   1.257
  139   1HB   CYS  19          2HB       CYS  19  -1.516   7.093  -0.804
  140   2HB   CYS  19          1HB       CYS  19   0.082   6.374  -0.611
  141    H    SER  20           H        SER  20  -2.242   3.831   1.498
  142    HA   SER  20           HA       SER  20   0.335   2.624   2.208
  143   1HB   SER  20          2HB       SER  20  -1.575   1.389   3.845
  144   2HB   SER  20          1HB       SER  20  -0.279   2.474   4.340
  145    HG   SER  20           HG       SER  20  -2.661   3.573   3.331
  146    H    CYS  21           H        CYS  21   0.688   0.702   1.407
  147    HA   CYS  21           HA       CYS  21  -1.321  -0.462  -0.318
  148   1HB   CYS  21          2HB       CYS  21   0.805  -0.493  -1.321
  149   2HB   CYS  21          1HB       CYS  21   1.611  -1.049   0.138
  150    H    SER  22           H        SER  22  -2.857  -1.128   1.170
  151    HA   SER  22           HA       SER  22  -2.106  -3.098   3.161
  152   1HB   SER  22          2HB       SER  22  -4.770  -1.797   2.507
  153   2HB   SER  22          1HB       SER  22  -4.437  -2.829   3.886
  154    HG   SER  22           HG       SER  22  -3.696  -0.189   3.423
  155    H    TYR  23           H        TYR  23  -1.525  -4.746   1.744
  156    HA   TYR  23           HA       TYR  23  -2.643  -5.598  -0.523
  157   1HB   TYR  23          2HB       TYR  23  -1.639  -7.686  -0.226
  158   2HB   TYR  23          1HB       TYR  23  -0.675  -6.609   0.770
  159    HD1  TYR  23           1HD      TYR  23  -0.597  -6.874   3.161
  160    HD2  TYR  23           2HD      TYR  23  -3.153  -9.323   0.795
  161    HE1  TYR  23           1HE      TYR  23  -0.909  -8.386   5.075
  162    HE2  TYR  23           2HE      TYR  23  -3.476 -10.838   2.709
  163    HH   TYR  23           HH       TYR  23  -3.303 -10.500   5.375
  164    HA   PRO  24           HA       PRO  24  -3.287  -6.340  -1.772
  165   1HB   PRO  24          2HB       PRO  24  -5.042  -7.249  -3.526
  166   2HB   PRO  24          1HB       PRO  24  -4.276  -8.353  -2.384
  167   1HG   PRO  24          2HG       PRO  24  -7.057  -7.329  -2.432
  168   2HG   PRO  24          1HG       PRO  24  -6.424  -8.833  -1.744
  169   1HD   PRO  24          2HD       PRO  24  -6.942  -6.311  -0.408
  170   2HD   PRO  24          1HD       PRO  24  -6.420  -7.853   0.305
  171    H    VAL  25           H        VAL  25  -4.664  -3.945  -0.585
  172    HA   VAL  25           HA       VAL  25  -5.313  -2.637  -3.140
  173    HB   VAL  25           HB       VAL  25  -7.095  -2.137  -0.771
  174   1HG1  VAL  25          1HG1      VAL  25  -8.600  -1.196  -2.454
  175   2HG1  VAL  25          2HG1      VAL  25  -7.422  -1.578  -3.710
  176   3HG1  VAL  25          3HG1      VAL  25  -7.024  -0.403  -2.458
  177   1HG2  VAL  25          1HG2      VAL  25  -7.130  -4.479  -2.433
  178   2HG2  VAL  25          2HG2      VAL  25  -8.598  -3.535  -2.682
  179   3HG2  VAL  25          3HG2      VAL  25  -8.158  -4.069  -1.059
  180    H    CYS  26           H        CYS  26  -4.845  -0.474  -3.218
  181    HA   CYS  26           HA       CYS  26  -3.220   0.576  -1.045
  182   1HB   CYS  26          2HB       CYS  26  -3.731   1.452  -3.886
  183   2HB   CYS  26          1HB       CYS  26  -2.769   2.373  -2.753
  184    H    LYS  27           H        LYS  27  -4.032   2.021   0.386
  185    HA   LYS  27           HA       LYS  27  -6.088   3.884  -0.454
  186   1HB   LYS  27          2HB       LYS  27  -6.552   1.639   1.435
  187   2HB   LYS  27          1HB       LYS  27  -7.222   3.199   1.874
  188   1HG   LYS  27          2HG       LYS  27  -7.762   1.688  -0.671
  189   2HG   LYS  27          1HG       LYS  27  -8.855   1.839   0.704
  190   1HD   LYS  27          2HD       LYS  27  -7.852   4.138  -0.979
  191   2HD   LYS  27          1HD       LYS  27  -9.427   3.367  -1.154
  192   1HE   LYS  27          2HE       LYS  27  -9.995   5.146   0.168
  193   2HE   LYS  27          1HE       LYS  27  -9.629   3.948   1.406
  194   1HZ   LYS  27          1HZ       LYS  27  -7.289   4.947   1.369
  195   2HZ   LYS  27          2HZ       LYS  27  -8.518   5.865   2.083
  196   3HZ   LYS  27          3HZ       LYS  27  -7.984   6.242   0.528
  Start of MODEL   10
    1   1H    SER   1          1HT       SER   1   8.671   9.886  -7.690
    2   2H    SER   1          2HT       SER   1   9.055  11.506  -7.987
    3   3H    SER   1          3HT       SER   1   8.643  10.486  -9.271
    4    HA   SER   1           HA       SER   1   6.954  12.137  -7.912
    5   1HB   SER   1          2HB       SER   1   6.813  11.144 -10.244
    6   2HB   SER   1          1HB       SER   1   6.202   9.666  -9.503
    7    HG   SER   1           HG       SER   1   4.419  10.828 -10.038
    8    H    ALA   2           H        ALA   2   4.978  11.646  -6.709
    9    HA   ALA   2           HA       ALA   2   5.481   9.958  -4.481
   10   1HB   ALA   2          1HB       ALA   2   4.194  11.901  -4.085
   11   2HB   ALA   2          2HB       ALA   2   3.087  10.542  -3.893
   12   3HB   ALA   2          3HB       ALA   2   3.055  11.502  -5.372
   13    H    ILE   3           H        ILE   3   4.900   7.894  -4.112
   14    HA   ILE   3           HA       ILE   3   3.788   6.379  -6.269
   15    HB   ILE   3           HB       ILE   3   4.495   5.368  -3.514
   16   1HG1  ILE   3          2HG1      ILE   3   6.215   5.513  -6.005
   17   2HG1  ILE   3          1HG1      ILE   3   6.410   6.524  -4.578
   18   1HG2  ILE   3          1HG2      ILE   3   3.285   3.672  -4.525
   19   2HG2  ILE   3          2HG2      ILE   3   4.933   3.272  -5.010
   20   3HG2  ILE   3          3HG2      ILE   3   3.854   4.088  -6.142
   21   1HD1  ILE   3          1HD1      ILE   3   7.581   4.034  -5.110
   22   2HD1  ILE   3          2HD1      ILE   3   6.424   3.778  -3.803
   23   3HD1  ILE   3          3HD1      ILE   3   7.689   4.994  -3.634
   24    H    SER   4           H        SER   4   1.820   7.723  -6.095
   25    HA   SER   4           HA       SER   4  -0.073   7.554  -4.080
   26   1HB   SER   4          2HB       SER   4  -0.566   7.846  -7.050
   27   2HB   SER   4          1HB       SER   4  -1.606   8.394  -5.743
   28    HG   SER   4           HG       SER   4   0.833   9.446  -6.636
   29    H    CYS   5           H        CYS   5  -2.048   6.333  -3.990
   30    HA   CYS   5           HA       CYS   5  -1.673   3.590  -4.782
   31   1HB   CYS   5          2HB       CYS   5  -3.868   4.837  -3.128
   32   2HB   CYS   5          1HB       CYS   5  -3.404   3.141  -3.181
   33    H    GLY   6           H        GLY   6  -4.871   4.099  -4.362
   34   1HA   GLY   6          2HA       GLY   6  -6.722   4.161  -5.719
   35   2HA   GLY   6          1HA       GLY   6  -5.744   5.032  -6.886
   36    H    GLU   7           H        GLU   7  -5.062   1.789  -5.670
   37    HA   GLU   7           HA       GLU   7  -6.201   0.434  -7.909
   38   1HB   GLU   7          2HB       GLU   7  -4.215  -0.268  -9.044
   39   2HB   GLU   7          1HB       GLU   7  -4.143   1.485  -8.925
   40   1HG   GLU   7          2HG       GLU   7  -2.463   1.435  -7.325
   41   2HG   GLU   7          1HG       GLU   7  -2.807  -0.235  -6.876
   42    H    THR   8           H        THR   8  -5.323  -1.915  -7.955
   43    HA   THR   8           HA       THR   8  -5.546  -2.974  -5.295
   44    HB   THR   8           HB       THR   8  -5.137  -5.186  -6.561
   45    HG1  THR   8           1HG      THR   8  -4.264  -3.853  -8.427
   46   1HG2  THR   8          1HG2      THR   8  -7.355  -5.231  -6.332
   47   2HG2  THR   8          2HG2      THR   8  -7.497  -4.396  -7.880
   48   3HG2  THR   8          3HG2      THR   8  -7.434  -3.470  -6.379
   49    H    CYS   9           H        CYS   9  -3.927  -4.178  -4.173
   50    HA   CYS   9           HA       CYS   9  -1.257  -4.234  -5.324
   51   1HB   CYS   9          2HB       CYS   9  -1.430  -2.000  -4.322
   52   2HB   CYS   9          1HB       CYS   9  -1.879  -2.719  -2.782
   53    H    PHE  10           H        PHE  10  -1.351  -6.462  -5.168
   54    HA   PHE  10           HA       PHE  10  -1.925  -7.755  -2.656
   55   1HB   PHE  10          2HB       PHE  10  -1.025  -8.805  -5.346
   56   2HB   PHE  10          1HB       PHE  10  -1.346  -9.827  -3.959
   57    HD1  PHE  10           1HD      PHE  10  -3.343 -10.934  -4.039
   58    HD2  PHE  10           2HD      PHE  10  -3.098  -7.031  -5.721
   59    HE1  PHE  10           1HE      PHE  10  -5.711 -11.069  -4.693
   60    HE2  PHE  10           2HE      PHE  10  -5.466  -7.159  -6.373
   61    HZ   PHE  10           HZ       PHE  10  -6.776  -9.180  -5.859
   62    H    LYS  11           H        LYS  11   0.360  -5.941  -2.725
   63    HA   LYS  11           HA       LYS  11   2.324  -7.699  -1.544
   64   1HB   LYS  11          2HB       LYS  11   2.922  -6.122  -4.045
   65   2HB   LYS  11          1HB       LYS  11   4.188  -6.554  -2.908
   66   1HG   LYS  11          2HG       LYS  11   2.413  -8.487  -4.387
   67   2HG   LYS  11          1HG       LYS  11   4.091  -8.108  -4.779
   68   1HD   LYS  11          2HD       LYS  11   3.186  -9.266  -2.143
   69   2HD   LYS  11          1HD       LYS  11   3.775 -10.233  -3.496
   70   1HE   LYS  11          2HE       LYS  11   5.347  -8.044  -2.141
   71   2HE   LYS  11          1HE       LYS  11   5.499  -9.761  -1.768
   72   1HZ   LYS  11          1HZ       LYS  11   6.959  -8.441  -3.613
   73   2HZ   LYS  11          2HZ       LYS  11   5.756  -9.148  -4.571
   74   3HZ   LYS  11          3HZ       LYS  11   6.727 -10.119  -3.582
   75    H    PHE  12           H        PHE  12   3.922  -4.969  -2.469
   76    HA   PHE  12           HA       PHE  12   2.872  -3.175  -0.445
   77   1HB   PHE  12          2HB       PHE  12   5.688  -4.289  -0.297
   78   2HB   PHE  12          1HB       PHE  12   5.127  -2.896   0.615
   79    HD1  PHE  12           1HD      PHE  12   3.583  -3.162   2.469
   80    HD2  PHE  12           2HD      PHE  12   5.065  -6.529   0.326
   81    HE1  PHE  12           1HE      PHE  12   2.859  -4.640   4.297
   82    HE2  PHE  12           2HE      PHE  12   4.337  -8.013   2.148
   83    HZ   PHE  12           HZ       PHE  12   3.233  -7.069   4.137
   84    H    LYS  13           H        LYS  13   2.530  -2.281  -2.760
   85    HA   LYS  13           HA       LYS  13   4.936  -1.160  -3.930
   86   1HB   LYS  13          2HB       LYS  13   2.052  -1.035  -4.776
   87   2HB   LYS  13          1HB       LYS  13   3.334  -0.181  -5.616
   88   1HG   LYS  13          2HG       LYS  13   4.429  -2.513  -5.825
   89   2HG   LYS  13          1HG       LYS  13   2.808  -3.115  -5.457
   90   1HD   LYS  13          2HD       LYS  13   3.593  -1.290  -7.732
   91   2HD   LYS  13          1HD       LYS  13   3.073  -2.972  -7.856
   92   1HE   LYS  13          2HE       LYS  13   0.864  -2.445  -7.249
   93   2HE   LYS  13          1HE       LYS  13   1.322  -0.860  -6.632
   94   1HZ   LYS  13          1HZ       LYS  13   1.468   0.014  -8.741
   95   2HZ   LYS  13          2HZ       LYS  13   0.165  -1.053  -8.916
   96   3HZ   LYS  13          3HZ       LYS  13   1.701  -1.488  -9.484
   97    H    CYS  14           H        CYS  14   1.910   0.120  -2.601
   98    HA   CYS  14           HA       CYS  14   2.928   2.816  -2.781
   99   1HB   CYS  14          2HB       CYS  14   0.354   1.948  -1.477
  100   2HB   CYS  14          1HB       CYS  14   0.745   3.518  -2.173
  101    H    TYR  15           H        TYR  15   3.902   3.907  -1.248
  102    HA   TYR  15           HA       TYR  15   3.336   3.472   1.530
  103   1HB   TYR  15          2HB       TYR  15   5.783   3.144   2.116
  104   2HB   TYR  15          1HB       TYR  15   4.966   1.761   1.405
  105    HD1  TYR  15           1HD      TYR  15   6.973   4.720   0.257
  106    HD2  TYR  15           2HD      TYR  15   6.128   0.572  -0.160
  107    HE1  TYR  15           1HE      TYR  15   8.751   4.532  -1.431
  108    HE2  TYR  15           2HE      TYR  15   7.901   0.373  -1.849
  109    HH   TYR  15           HH       TYR  15   9.253   1.567  -3.245
  110    H    THR  16           H        THR  16   3.312   5.543  -0.620
  111    HA   THR  16           HA       THR  16   5.172   7.545   0.355
  112    HB   THR  16           HB       THR  16   3.043   7.623  -1.818
  113    HG1  THR  16           1HG      THR  16   5.652   6.935  -1.713
  114   1HG2  THR  16          1HG2      THR  16   4.626   9.817  -0.565
  115   2HG2  THR  16          2HG2      THR  16   3.007   9.847  -1.262
  116   3HG2  THR  16          3HG2      THR  16   4.420   9.839  -2.318
  117    HA   PRO  17           HA       PRO  17   2.908   9.089   3.816
  118   1HB   PRO  17          2HB       PRO  17   3.032  11.755   2.612
  119   2HB   PRO  17          1HB       PRO  17   3.755  11.164   4.108
  120   1HG   PRO  17          2HG       PRO  17   4.972  11.466   1.493
  121   2HG   PRO  17          1HG       PRO  17   5.743  11.076   3.037
  122   1HD   PRO  17          2HD       PRO  17   5.547   9.315   0.959
  123   2HD   PRO  17          1HD       PRO  17   5.623   8.813   2.661
  124    H    ARG  18           H        ARG  18   0.843   8.995   4.176
  125    HA   ARG  18           HA       ARG  18  -1.391   9.364   4.148
  126   1HB   ARG  18          2HB       ARG  18  -0.779  11.671   3.391
  127   2HB   ARG  18          1HB       ARG  18  -0.912  11.109   1.738
  128   1HG   ARG  18          2HG       ARG  18  -3.324  10.503   2.312
  129   2HG   ARG  18          1HG       ARG  18  -3.085  11.455   3.777
  130   1HD   ARG  18          2HD       ARG  18  -4.082  12.889   2.161
  131   2HD   ARG  18          1HD       ARG  18  -2.394  13.368   2.312
  132    HE   ARG  18           HE       ARG  18  -3.674  12.139   0.009
  133   1HH1  ARG  18          1HH1      ARG  18  -0.689  13.227   1.485
  134   2HH1  ARG  18          2HH1      ARG  18   0.232  13.092   0.027
  135   1HH2  ARG  18          1HH2      ARG  18  -2.464  11.978  -1.923
  136   2HH2  ARG  18          2HH2      ARG  18  -0.781  12.389  -1.918
  137    H    CYS  19           H        CYS  19   0.234   7.428   2.410
  138    HA   CYS  19           HA       CYS  19  -2.060   6.226   1.121
  139   1HB   CYS  19          2HB       CYS  19  -0.401   7.815  -0.431
  140   2HB   CYS  19          1HB       CYS  19   0.235   6.195  -0.694
  141    H    SER  20           H        SER  20  -1.921   3.995   1.194
  142    HA   SER  20           HA       SER  20   0.683   2.768   1.606
  143   1HB   SER  20          2HB       SER  20  -0.573   1.504   3.607
  144   2HB   SER  20          1HB       SER  20   0.422   2.938   3.840
  145    HG   SER  20           HG       SER  20  -2.174   3.501   3.148
  146    H    CYS  21           H        CYS  21   0.873   0.725   1.066
  147    HA   CYS  21           HA       CYS  21  -1.320  -0.424  -0.441
  148   1HB   CYS  21          2HB       CYS  21   0.760  -0.634  -1.554
  149   2HB   CYS  21          1HB       CYS  21   1.582  -1.198  -0.104
  150    H    SER  22           H        SER  22  -2.802  -1.026   1.042
  151    HA   SER  22           HA       SER  22  -2.020  -2.851   3.185
  152   1HB   SER  22          2HB       SER  22  -3.568  -0.956   3.713
  153   2HB   SER  22          1HB       SER  22  -4.726  -1.616   2.561
  154    HG   SER  22           HG       SER  22  -4.927  -3.439   3.854
  155    H    TYR  23           H        TYR  23  -1.485  -4.587   1.866
  156    HA   TYR  23           HA       TYR  23  -2.683  -5.597  -0.297
  157   1HB   TYR  23          2HB       TYR  23  -1.692  -7.683   0.133
  158   2HB   TYR  23          1HB       TYR  23  -0.657  -6.513   0.936
  159    HD1  TYR  23           1HD      TYR  23  -0.380  -6.542   3.319
  160    HD2  TYR  23           2HD      TYR  23  -3.150  -9.172   1.439
  161    HE1  TYR  23           1HE      TYR  23  -0.550  -7.840   5.401
  162    HE2  TYR  23           2HE      TYR  23  -3.332 -10.473   3.522
  163    HH   TYR  23           HH       TYR  23  -2.904  -9.790   6.162
  164    HA   PRO  24           HA       PRO  24  -3.315  -6.634  -1.438
  165   1HB   PRO  24          2HB       PRO  24  -5.141  -7.645  -3.059
  166   2HB   PRO  24          1HB       PRO  24  -4.393  -8.657  -1.823
  167   1HG   PRO  24          2HG       PRO  24  -7.122  -7.486  -1.906
  168   2HG   PRO  24          1HG       PRO  24  -6.564  -8.986  -1.147
  169   1HD   PRO  24          2HD       PRO  24  -6.947  -6.418   0.085
  170   2HD   PRO  24          1HD       PRO  24  -6.361  -7.915   0.841
  171    H    VAL  25           H        VAL  25  -4.530  -4.075  -0.484
  172    HA   VAL  25           HA       VAL  25  -5.163  -3.002  -3.142
  173    HB   VAL  25           HB       VAL  25  -6.886  -2.158  -0.832
  174   1HG1  VAL  25          1HG1      VAL  25  -7.474  -2.015  -3.771
  175   2HG1  VAL  25          2HG1      VAL  25  -6.607  -0.750  -2.900
  176   3HG1  VAL  25          3HG1      VAL  25  -8.265  -1.152  -2.452
  177   1HG2  VAL  25          1HG2      VAL  25  -7.086  -4.662  -2.261
  178   2HG2  VAL  25          2HG2      VAL  25  -8.525  -3.669  -2.497
  179   3HG2  VAL  25          3HG2      VAL  25  -7.999  -4.086  -0.866
  180    H    CYS  26           H        CYS  26  -4.518  -0.910  -3.428
  181    HA   CYS  26           HA       CYS  26  -2.851   0.218  -1.334
  182   1HB   CYS  26          2HB       CYS  26  -3.136   0.551  -4.270
  183   2HB   CYS  26          1HB       CYS  26  -2.643   1.969  -3.366
  184    H    LYS  27           H        LYS  27  -3.621   1.721   0.017
  185    HA   LYS  27           HA       LYS  27  -5.824   3.433  -0.901
  186   1HB   LYS  27          2HB       LYS  27  -6.946   1.898   0.496
  187   2HB   LYS  27          1HB       LYS  27  -5.630   1.861   1.659
  188   1HG   LYS  27          2HG       LYS  27  -7.564   3.066   2.522
  189   2HG   LYS  27          1HG       LYS  27  -6.160   4.122   2.367
  190   1HD   LYS  27          2HD       LYS  27  -7.259   4.569  -0.018
  191   2HD   LYS  27          1HD       LYS  27  -8.720   4.124   0.867
  192   1HE   LYS  27          2HE       LYS  27  -8.390   6.526   0.951
  193   2HE   LYS  27          1HE       LYS  27  -8.195   5.828   2.559
  194   1HZ   LYS  27          1HZ       LYS  27  -6.449   7.515   1.421
  195   2HZ   LYS  27          2HZ       LYS  27  -5.746   6.029   1.016
  196   3HZ   LYS  27          3HZ       LYS  27  -6.044   6.414   2.638
  Start of MODEL   11
    1   1H    SER   1          1HT       SER   1   4.237  16.118  -5.055
    2   2H    SER   1          2HT       SER   1   2.752  16.549  -4.367
    3   3H    SER   1          3HT       SER   1   2.815  16.001  -5.967
    4    HA   SER   1           HA       SER   1   2.750  13.882  -5.382
    5   1HB   SER   1          2HB       SER   1   5.150  14.166  -4.663
    6   2HB   SER   1          1HB       SER   1   4.566  14.539  -3.042
    7    HG   SER   1           HG       SER   1   5.147  12.314  -3.333
    8    H    ALA   2           H        ALA   2   1.338  12.661  -4.116
    9    HA   ALA   2           HA       ALA   2   0.436  13.454  -1.541
   10   1HB   ALA   2          1HB       ALA   2  -1.991  13.821  -2.434
   11   2HB   ALA   2          2HB       ALA   2  -1.175  14.274  -3.929
   12   3HB   ALA   2          3HB       ALA   2  -0.847  15.163  -2.442
   13    H    ILE   3           H        ILE   3  -2.311  12.370  -2.238
   14    HA   ILE   3           HA       ILE   3  -1.665   9.608  -1.879
   15    HB   ILE   3           HB       ILE   3  -4.445  10.690  -2.315
   16   1HG1  ILE   3          2HG1      ILE   3  -4.379  10.581   0.340
   17   2HG1  ILE   3          1HG1      ILE   3  -2.671  10.917   0.079
   18   1HG2  ILE   3          1HG2      ILE   3  -3.680   8.146  -2.138
   19   2HG2  ILE   3          2HG2      ILE   3  -5.212   8.720  -1.477
   20   3HG2  ILE   3          3HG2      ILE   3  -3.821   8.502  -0.415
   21   1HD1  ILE   3          1HD1      ILE   3  -3.119  13.065  -0.165
   22   2HD1  ILE   3          2HD1      ILE   3  -4.822  12.731   0.147
   23   3HD1  ILE   3          3HD1      ILE   3  -4.208  12.713  -1.506
   24    H    SER   4           H        SER   4  -0.570  10.097  -4.189
   25    HA   SER   4           HA       SER   4  -2.281   9.763  -6.449
   26   1HB   SER   4          2HB       SER   4   0.721   9.482  -6.212
   27   2HB   SER   4          1HB       SER   4  -0.200   9.724  -7.688
   28    HG   SER   4           HG       SER   4  -0.883  11.748  -6.818
   29    H    CYS   5           H        CYS   5  -3.121   7.763  -5.038
   30    HA   CYS   5           HA       CYS   5  -1.811   5.381  -6.120
   31   1HB   CYS   5          2HB       CYS   5  -3.082   5.824  -3.419
   32   2HB   CYS   5          1HB       CYS   5  -2.623   4.246  -4.029
   33    H    GLY   6           H        GLY   6  -4.503   4.694  -4.260
   34   1HA   GLY   6          2HA       GLY   6  -6.688   4.149  -4.722
   35   2HA   GLY   6          1HA       GLY   6  -6.596   5.229  -6.105
   36    H    GLU   7           H        GLU   7  -4.660   2.353  -5.422
   37    HA   GLU   7           HA       GLU   7  -5.980   0.939  -7.614
   38   1HB   GLU   7          2HB       GLU   7  -3.813   0.263  -8.559
   39   2HB   GLU   7          1HB       GLU   7  -4.026   2.008  -8.622
   40   1HG   GLU   7          2HG       GLU   7  -2.517   2.355  -6.849
   41   2HG   GLU   7          1HG       GLU   7  -2.511   0.648  -6.417
   42    H    THR   8           H        THR   8  -4.884  -1.347  -7.743
   43    HA   THR   8           HA       THR   8  -5.059  -2.468  -5.053
   44    HB   THR   8           HB       THR   8  -5.136  -4.667  -6.348
   45    HG1  THR   8           1HG      THR   8  -4.296  -3.464  -8.319
   46   1HG2  THR   8          1HG2      THR   8  -7.163  -2.585  -6.101
   47   2HG2  THR   8          2HG2      THR   8  -7.269  -4.312  -5.757
   48   3HG2  THR   8          3HG2      THR   8  -7.503  -3.725  -7.404
   49    H    CYS   9           H        CYS   9  -3.444  -3.806  -4.181
   50    HA   CYS   9           HA       CYS   9  -1.033  -4.269  -5.698
   51   1HB   CYS   9          2HB       CYS   9   0.451  -3.197  -4.075
   52   2HB   CYS   9          1HB       CYS   9  -0.652  -2.021  -4.776
   53    H    PHE  10           H        PHE  10  -1.130  -6.396  -5.460
   54    HA   PHE  10           HA       PHE  10  -1.854  -7.699  -3.021
   55   1HB   PHE  10          2HB       PHE  10  -0.764  -8.728  -5.644
   56   2HB   PHE  10          1HB       PHE  10  -1.209  -9.769  -4.305
   57    HD1  PHE  10           1HD      PHE  10  -2.721  -6.958  -6.257
   58    HD2  PHE  10           2HD      PHE  10  -3.262 -10.762  -4.426
   59    HE1  PHE  10           1HE      PHE  10  -5.041  -7.015  -7.071
   60    HE2  PHE  10           2HE      PHE  10  -5.583 -10.825  -5.237
   61    HZ   PHE  10           HZ       PHE  10  -6.475  -8.950  -6.562
   62    H    LYS  11           H        LYS  11   0.185  -6.112  -2.297
   63    HA   LYS  11           HA       LYS  11   2.014  -7.807  -1.058
   64   1HB   LYS  11          2HB       LYS  11   4.120  -7.085  -2.263
   65   2HB   LYS  11          1HB       LYS  11   3.101  -8.210  -3.144
   66   1HG   LYS  11          2HG       LYS  11   2.166  -6.258  -4.398
   67   2HG   LYS  11          1HG       LYS  11   3.382  -5.250  -3.611
   68   1HD   LYS  11          2HD       LYS  11   3.943  -7.647  -5.358
   69   2HD   LYS  11          1HD       LYS  11   4.094  -5.961  -5.851
   70   1HE   LYS  11          2HE       LYS  11   5.824  -5.619  -4.159
   71   2HE   LYS  11          1HE       LYS  11   5.659  -7.296  -3.643
   72   1HZ   LYS  11          1HZ       LYS  11   7.042  -7.927  -5.236
   73   2HZ   LYS  11          2HZ       LYS  11   7.315  -6.304  -5.625
   74   3HZ   LYS  11          3HZ       LYS  11   6.111  -7.175  -6.432
   75    H    PHE  12           H        PHE  12   4.039  -5.417  -1.813
   76    HA   PHE  12           HA       PHE  12   2.864  -3.379  -0.066
   77   1HB   PHE  12          2HB       PHE  12   5.631  -4.581   0.226
   78   2HB   PHE  12          1HB       PHE  12   5.127  -3.088   1.007
   79    HD1  PHE  12           1HD      PHE  12   3.964  -3.122   3.034
   80    HD2  PHE  12           2HD      PHE  12   4.434  -6.725   0.819
   81    HE1  PHE  12           1HE      PHE  12   3.111  -4.408   4.950
   82    HE2  PHE  12           2HE      PHE  12   3.576  -8.015   2.728
   83    HZ   PHE  12           HZ       PHE  12   2.913  -6.857   4.798
   84    H    LYS  13           H        LYS  13   2.546  -2.708  -2.403
   85    HA   LYS  13           HA       LYS  13   4.919  -1.697  -3.715
   86   1HB   LYS  13          2HB       LYS  13   3.255  -2.749  -5.113
   87   2HB   LYS  13          1HB       LYS  13   2.011  -1.658  -4.520
   88   1HG   LYS  13          2HG       LYS  13   3.475   0.216  -5.490
   89   2HG   LYS  13          1HG       LYS  13   4.296  -1.075  -6.368
   90   1HD   LYS  13          2HD       LYS  13   2.229  -1.724  -7.434
   91   2HD   LYS  13          1HD       LYS  13   1.324  -0.560  -6.463
   92   1HE   LYS  13          2HE       LYS  13   2.684   1.255  -7.494
   93   2HE   LYS  13          1HE       LYS  13   3.410   0.048  -8.552
   94   1HZ   LYS  13          1HZ       LYS  13   1.719   0.441  -9.920
   95   2HZ   LYS  13          2HZ       LYS  13   0.886   1.365  -8.769
   96   3HZ   LYS  13          3HZ       LYS  13   0.696  -0.314  -8.803
   97    H    CYS  14           H        CYS  14   1.910  -0.325  -2.449
   98    HA   CYS  14           HA       CYS  14   2.908   2.351  -2.885
   99   1HB   CYS  14          2HB       CYS  14   0.310   1.390  -1.687
  100   2HB   CYS  14          1HB       CYS  14   0.697   3.063  -2.070
  101    H    TYR  15           H        TYR  15   3.656   3.713  -1.457
  102    HA   TYR  15           HA       TYR  15   3.241   3.480   1.366
  103   1HB   TYR  15          2HB       TYR  15   5.797   3.463   1.785
  104   2HB   TYR  15          1HB       TYR  15   5.006   1.934   1.428
  105    HD1  TYR  15           1HD      TYR  15   6.639   4.730  -0.470
  106    HD2  TYR  15           2HD      TYR  15   6.109   0.529  -0.017
  107    HE1  TYR  15           1HE      TYR  15   8.226   4.337  -2.305
  108    HE2  TYR  15           2HE      TYR  15   7.699   0.129  -1.850
  109    HH   TYR  15           HH       TYR  15   8.701   1.186  -3.682
  110    H    THR  16           H        THR  16   2.738   5.255  -0.772
  111    HA   THR  16           HA       THR  16   4.511   7.512  -0.616
  112    HB   THR  16           HB       THR  16   2.047   8.238  -1.795
  113    HG1  THR  16           1HG      THR  16   1.452   6.496  -2.968
  114   1HG2  THR  16          1HG2      THR  16   3.330   8.591  -3.688
  115   2HG2  THR  16          2HG2      THR  16   4.331   7.166  -3.403
  116   3HG2  THR  16          3HG2      THR  16   4.561   8.616  -2.424
  117    HA   PRO  17           HA       PRO  17   2.676   9.957   2.581
  118   1HB   PRO  17          2HB       PRO  17   1.636  12.174   1.237
  119   2HB   PRO  17          1HB       PRO  17   3.287  12.017   1.840
  120   1HG   PRO  17          2HG       PRO  17   2.223  11.581  -0.911
  121   2HG   PRO  17          1HG       PRO  17   3.772  12.279  -0.401
  122   1HD   PRO  17          2HD       PRO  17   3.620   9.782  -1.347
  123   2HD   PRO  17          1HD       PRO  17   4.726  10.196  -0.020
  124    H    ARG  18           H        ARG  18   0.931   9.245   3.538
  125    HA   ARG  18           HA       ARG  18  -1.183   8.689   4.052
  126   1HB   ARG  18          2HB       ARG  18  -1.581  11.092   3.652
  127   2HB   ARG  18          1HB       ARG  18  -1.923  10.747   1.969
  128   1HG   ARG  18          2HG       ARG  18  -3.900  11.121   3.549
  129   2HG   ARG  18          1HG       ARG  18  -3.969   9.737   2.461
  130   1HD   ARG  18          2HD       ARG  18  -2.881   9.403   5.230
  131   2HD   ARG  18          1HD       ARG  18  -4.625   9.467   4.976
  132    HE   ARG  18           HE       ARG  18  -3.650   7.633   3.149
  133   1HH1  ARG  18          1HH1      ARG  18  -3.736   7.936   6.641
  134   2HH1  ARG  18          2HH1      ARG  18  -3.710   6.227   6.913
  135   1HH2  ARG  18          1HH2      ARG  18  -3.621   5.392   3.490
  136   2HH2  ARG  18          2HH2      ARG  18  -3.627   4.772   5.116
  137    H    CYS  19           H        CYS  19   0.147   7.036   2.334
  138    HA   CYS  19           HA       CYS  19  -2.090   5.710   1.082
  139   1HB   CYS  19          2HB       CYS  19  -1.339   6.977  -0.810
  140   2HB   CYS  19          1HB       CYS  19   0.343   6.560  -0.492
  141    H    SER  20           H        SER  20  -1.986   3.791   2.029
  142    HA   SER  20           HA       SER  20   0.667   2.550   2.324
  143   1HB   SER  20          2HB       SER  20  -1.110   1.232   4.050
  144   2HB   SER  20          1HB       SER  20   0.188   2.336   4.491
  145    HG   SER  20           HG       SER  20  -2.500   3.059   3.868
  146    H    CYS  21           H        CYS  21   0.981   0.576   1.495
  147    HA   CYS  21           HA       CYS  21  -1.104  -0.466  -0.209
  148   1HB   CYS  21          2HB       CYS  21   1.148  -0.470  -1.090
  149   2HB   CYS  21          1HB       CYS  21   1.729  -1.428   0.264
  150    H    SER  22           H        SER  22  -2.651  -1.064   1.302
  151    HA   SER  22           HA       SER  22  -2.014  -3.170   3.190
  152   1HB   SER  22          2HB       SER  22  -4.594  -2.852   3.568
  153   2HB   SER  22          1HB       SER  22  -3.484  -1.626   4.171
  154    HG   SER  22           HG       SER  22  -4.584  -1.430   1.582
  155    H    TYR  23           H        TYR  23  -1.462  -4.724   1.644
  156    HA   TYR  23           HA       TYR  23  -2.616  -5.432  -0.647
  157   1HB   TYR  23          2HB       TYR  23  -1.655  -7.554  -0.477
  158   2HB   TYR  23          1HB       TYR  23  -0.660  -6.553   0.567
  159    HD1  TYR  23           1HD      TYR  23  -0.554  -6.961   2.935
  160    HD2  TYR  23           2HD      TYR  23  -3.200  -9.209   0.469
  161    HE1  TYR  23           1HE      TYR  23  -0.875  -8.575   4.762
  162    HE2  TYR  23           2HE      TYR  23  -3.533 -10.826   2.297
  163    HH   TYR  23           HH       TYR  23  -3.317 -10.657   4.969
  164    HA   PRO  24           HA       PRO  24  -3.266  -6.138  -1.930
  165   1HB   PRO  24          2HB       PRO  24  -5.066  -6.875  -3.729
  166   2HB   PRO  24          1HB       PRO  24  -4.317  -8.070  -2.670
  167   1HG   PRO  24          2HG       PRO  24  -7.071  -6.984  -2.625
  168   2HG   PRO  24          1HG       PRO  24  -6.464  -8.537  -2.028
  169   1HD   PRO  24          2HD       PRO  24  -6.921  -6.087  -0.548
  170   2HD   PRO  24          1HD       PRO  24  -6.423  -7.676   0.071
  171    H    VAL  25           H        VAL  25  -4.447  -3.740  -0.643
  172    HA   VAL  25           HA       VAL  25  -5.151  -2.306  -3.116
  173    HB   VAL  25           HB       VAL  25  -6.727  -1.733  -0.628
  174   1HG1  VAL  25          1HG1      VAL  25  -7.787  -1.264  -3.342
  175   2HG1  VAL  25          2HG1      VAL  25  -6.439  -0.254  -2.817
  176   3HG1  VAL  25          3HG1      VAL  25  -7.931  -0.292  -1.878
  177   1HG2  VAL  25          1HG2      VAL  25  -8.574  -3.055  -1.410
  178   2HG2  VAL  25          2HG2      VAL  25  -7.155  -4.094  -1.284
  179   3HG2  VAL  25          3HG2      VAL  25  -7.686  -3.514  -2.863
  180    H    CYS  26           H        CYS  26  -4.457  -0.225  -3.194
  181    HA   CYS  26           HA       CYS  26  -2.606   0.640  -1.147
  182   1HB   CYS  26          2HB       CYS  26  -3.366   1.719  -3.863
  183   2HB   CYS  26          1HB       CYS  26  -2.206   2.489  -2.804
  184    H    LYS  27           H        LYS  27  -3.493   1.645   0.570
  185    HA   LYS  27           HA       LYS  27  -5.236   3.925   0.096
  186   1HB   LYS  27          2HB       LYS  27  -5.920   1.496   1.727
  187   2HB   LYS  27          1HB       LYS  27  -6.573   3.063   2.155
  188   1HG   LYS  27          2HG       LYS  27  -6.933   1.694  -0.499
  189   2HG   LYS  27          1HG       LYS  27  -8.126   1.742   0.800
  190   1HD   LYS  27          2HD       LYS  27  -7.044   4.089  -0.759
  191   2HD   LYS  27          1HD       LYS  27  -8.673   3.418  -0.850
  192   1HE   LYS  27          2HE       LYS  27  -7.405   4.792   1.516
  193   2HE   LYS  27          1HE       LYS  27  -8.704   5.416   0.502
  194   1HZ   LYS  27          1HZ       LYS  27  -9.885   4.593   2.252
  195   2HZ   LYS  27          2HZ       LYS  27  -8.790   3.344   2.570
  196   3HZ   LYS  27          3HZ       LYS  27  -9.862   3.216   1.268
  Start of MODEL   12
    1   1H    SER   1          1HT       SER   1  -3.593  12.933 -10.483
    2   2H    SER   1          2HT       SER   1  -2.987  13.090  -8.911
    3   3H    SER   1          3HT       SER   1  -3.062  11.564  -9.640
    4    HA   SER   1           HA       SER   1  -1.200  11.855 -10.816
    5   1HB   SER   1          2HB       SER   1  -1.679  14.831 -10.950
    6   2HB   SER   1          1HB       SER   1  -0.776  13.813 -12.077
    7    HG   SER   1           HG       SER   1  -2.711  14.125 -13.047
    8    H    ALA   2           H        ALA   2  -0.897  11.483  -8.257
    9    HA   ALA   2           HA       ALA   2   1.472  12.900  -7.568
   10   1HB   ALA   2          1HB       ALA   2   0.677  13.871  -5.445
   11   2HB   ALA   2          2HB       ALA   2  -0.974  13.425  -5.875
   12   3HB   ALA   2          3HB       ALA   2  -0.098  14.610  -6.845
   13    H    ILE   3           H        ILE   3  -1.148  11.366  -5.700
   14    HA   ILE   3           HA       ILE   3   0.625   9.752  -4.204
   15    HB   ILE   3           HB       ILE   3  -2.354   9.421  -4.595
   16   1HG1  ILE   3          2HG1      ILE   3  -1.808  11.634  -3.710
   17   2HG1  ILE   3          1HG1      ILE   3  -2.565  10.646  -2.466
   18   1HG2  ILE   3          1HG2      ILE   3  -1.000   7.464  -3.672
   19   2HG2  ILE   3          2HG2      ILE   3  -2.382   8.014  -2.725
   20   3HG2  ILE   3          3HG2      ILE   3  -0.748   8.471  -2.246
   21   1HD1  ILE   3          1HD1      ILE   3  -0.337  10.188  -1.522
   22   2HD1  ILE   3          2HD1      ILE   3  -0.742  11.905  -1.528
   23   3HD1  ILE   3          3HD1      ILE   3   0.370  11.257  -2.733
   24    H    SER   4           H        SER   4   1.610   7.947  -4.840
   25    HA   SER   4           HA       SER   4   0.999   6.721  -7.347
   26   1HB   SER   4          2HB       SER   4   2.961   5.779  -5.264
   27   2HB   SER   4          1HB       SER   4   3.002   5.520  -7.001
   28    HG   SER   4           HG       SER   4   3.003   8.028  -6.918
   29    H    CYS   5           H        CYS   5  -1.265   6.316  -5.996
   30    HA   CYS   5           HA       CYS   5  -1.180   3.482  -5.354
   31   1HB   CYS   5          2HB       CYS   5  -2.749   5.628  -3.904
   32   2HB   CYS   5          1HB       CYS   5  -2.894   3.908  -3.630
   33    H    GLY   6           H        GLY   6  -4.185   4.596  -4.816
   34   1HA   GLY   6          2HA       GLY   6  -6.178   4.537  -5.943
   35   2HA   GLY   6          1HA       GLY   6  -5.287   5.177  -7.312
   36    H    GLU   7           H        GLU   7  -4.635   2.053  -5.823
   37    HA   GLU   7           HA       GLU   7  -6.184   0.530  -7.667
   38   1HB   GLU   7          2HB       GLU   7  -4.293  -0.521  -8.866
   39   2HB   GLU   7          1HB       GLU   7  -4.469   1.185  -9.248
   40   1HG   GLU   7          2HG       GLU   7  -2.554   1.776  -8.098
   41   2HG   GLU   7          1HG       GLU   7  -2.574   0.315  -7.112
   42    H    THR   8           H        THR   8  -5.022  -1.820  -7.696
   43    HA   THR   8           HA       THR   8  -5.066  -2.628  -4.918
   44    HB   THR   8           HB       THR   8  -4.861  -4.954  -5.934
   45    HG1  THR   8           1HG      THR   8  -5.718  -4.415  -8.359
   46   1HG2  THR   8          1HG2      THR   8  -7.146  -3.104  -6.566
   47   2HG2  THR   8          2HG2      THR   8  -7.021  -4.294  -5.271
   48   3HG2  THR   8          3HG2      THR   8  -7.211  -4.825  -6.942
   49    H    CYS   9           H        CYS   9  -3.404  -4.338  -4.224
   50    HA   CYS   9           HA       CYS   9  -0.835  -4.055  -5.493
   51   1HB   CYS   9          2HB       CYS   9   0.307  -3.273  -3.442
   52   2HB   CYS   9          1HB       CYS   9  -0.805  -2.085  -4.105
   53    H    PHE  10           H        PHE  10  -0.621  -6.187  -5.782
   54    HA   PHE  10           HA       PHE  10  -1.045  -8.070  -3.621
   55   1HB   PHE  10          2HB       PHE  10  -0.158  -8.340  -6.496
   56   2HB   PHE  10          1HB       PHE  10  -0.107  -9.694  -5.379
   57    HD1  PHE  10           1HD      PHE  10  -1.809 -11.175  -5.735
   58    HD2  PHE  10           2HD      PHE  10  -2.601  -7.014  -6.144
   59    HE1  PHE  10           1HE      PHE  10  -4.167 -11.675  -6.226
   60    HE2  PHE  10           2HE      PHE  10  -4.960  -7.506  -6.634
   61    HZ   PHE  10           HZ       PHE  10  -5.747  -9.840  -6.675
   62    H    LYS  11           H        LYS  11   0.728  -6.044  -3.165
   63    HA   LYS  11           HA       LYS  11   2.946  -7.231  -1.984
   64   1HB   LYS  11          2HB       LYS  11   3.667  -7.369  -4.438
   65   2HB   LYS  11          1HB       LYS  11   3.646  -5.612  -4.458
   66   1HG   LYS  11          2HG       LYS  11   5.353  -5.597  -2.682
   67   2HG   LYS  11          1HG       LYS  11   5.404  -7.361  -2.749
   68   1HD   LYS  11          2HD       LYS  11   6.032  -7.204  -5.143
   69   2HD   LYS  11          1HD       LYS  11   6.088  -5.448  -4.980
   70   1HE   LYS  11          2HE       LYS  11   8.322  -6.327  -4.802
   71   2HE   LYS  11          1HE       LYS  11   7.819  -5.707  -3.230
   72   1HZ   LYS  11          1HZ       LYS  11   8.781  -8.233  -3.803
   73   2HZ   LYS  11          2HZ       LYS  11   7.135  -8.444  -3.474
   74   3HZ   LYS  11          3HZ       LYS  11   8.135  -7.694  -2.334
   75    H    PHE  12           H        PHE  12   4.151  -5.427  -0.853
   76    HA   PHE  12           HA       PHE  12   2.345  -3.232  -0.378
   77   1HB   PHE  12          2HB       PHE  12   4.935  -4.084   0.897
   78   2HB   PHE  12          1HB       PHE  12   4.160  -2.559   1.307
   79    HD1  PHE  12           1HD      PHE  12   2.956  -6.069   0.795
   80    HD2  PHE  12           2HD      PHE  12   3.091  -2.645   3.320
   81    HE1  PHE  12           1HE      PHE  12   1.527  -7.222   2.431
   82    HE2  PHE  12           2HE      PHE  12   1.664  -3.795   4.960
   83    HZ   PHE  12           HZ       PHE  12   0.880  -6.087   4.517
   84    H    LYS  13           H        LYS  13   2.757  -2.749  -2.733
   85    HA   LYS  13           HA       LYS  13   5.086  -1.047  -3.133
   86   1HB   LYS  13          2HB       LYS  13   4.464  -1.073  -5.510
   87   2HB   LYS  13          1HB       LYS  13   4.595  -2.707  -4.874
   88   1HG   LYS  13          2HG       LYS  13   2.271  -3.014  -4.865
   89   2HG   LYS  13          1HG       LYS  13   1.955  -1.286  -5.020
   90   1HD   LYS  13          2HD       LYS  13   2.971  -1.367  -7.290
   91   2HD   LYS  13          1HD       LYS  13   3.107  -3.118  -7.121
   92   1HE   LYS  13          2HE       LYS  13   1.119  -2.546  -8.390
   93   2HE   LYS  13          1HE       LYS  13   0.673  -3.272  -6.848
   94   1HZ   LYS  13          1HZ       LYS  13   0.128  -0.630  -7.870
   95   2HZ   LYS  13          2HZ       LYS  13   0.718  -0.627  -6.280
   96   3HZ   LYS  13          3HZ       LYS  13  -0.673  -1.515  -6.663
   97    H    CYS  14           H        CYS  14   3.046  -0.055  -1.395
   98    HA   CYS  14           HA       CYS  14   2.460   2.395  -2.845
   99   1HB   CYS  14          2HB       CYS  14   0.331   0.700  -1.545
  100   2HB   CYS  14          1HB       CYS  14   0.109   2.416  -1.862
  101    H    TYR  15           H        TYR  15   4.383   2.474  -1.233
  102    HA   TYR  15           HA       TYR  15   3.446   3.206   1.439
  103   1HB   TYR  15          2HB       TYR  15   6.029   3.409   1.798
  104   2HB   TYR  15          1HB       TYR  15   5.285   1.817   1.715
  105    HD1  TYR  15           1HD      TYR  15   7.083   4.333  -0.368
  106    HD2  TYR  15           2HD      TYR  15   6.043   0.238   0.172
  107    HE1  TYR  15           1HE      TYR  15   8.607   3.710  -2.194
  108    HE2  TYR  15           2HE      TYR  15   7.570  -0.392  -1.649
  109    HH   TYR  15           HH       TYR  15   9.789   0.800  -2.691
  110    H    THR  16           H        THR  16   2.810   4.784  -0.814
  111    HA   THR  16           HA       THR  16   4.482   7.092  -0.987
  112    HB   THR  16           HB       THR  16   1.555   6.929  -1.719
  113    HG1  THR  16           1HG      THR  16   3.788   6.042  -3.262
  114   1HG2  THR  16          1HG2      THR  16   2.282   8.434  -3.567
  115   2HG2  THR  16          2HG2      THR  16   3.890   8.482  -2.842
  116   3HG2  THR  16          3HG2      THR  16   2.506   9.132  -1.962
  117    HA   PRO  17           HA       PRO  17   3.366   9.232   2.747
  118   1HB   PRO  17          2HB       PRO  17   3.104  11.582   0.915
  119   2HB   PRO  17          1HB       PRO  17   3.962  11.448   2.456
  120   1HG   PRO  17          2HG       PRO  17   5.298  11.393   0.156
  121   2HG   PRO  17          1HG       PRO  17   5.768  10.345   1.507
  122   1HD   PRO  17          2HD       PRO  17   4.370   9.656  -1.027
  123   2HD   PRO  17          1HD       PRO  17   5.481   8.680  -0.046
  124    H    ARG  18           H        ARG  18   1.478   9.174   3.691
  125    HA   ARG  18           HA       ARG  18  -0.689   9.439   4.231
  126   1HB   ARG  18          2HB       ARG  18  -0.327  11.726   3.260
  127   2HB   ARG  18          1HB       ARG  18  -0.953  11.114   1.743
  128   1HG   ARG  18          2HG       ARG  18  -3.112  10.697   2.759
  129   2HG   ARG  18          1HG       ARG  18  -2.486  11.176   4.338
  130   1HD   ARG  18          2HD       ARG  18  -3.790  12.964   3.286
  131   2HD   ARG  18          1HD       ARG  18  -2.109  13.430   3.534
  132    HE   ARG  18           HE       ARG  18  -1.951  13.754   1.295
  133   1HH1  ARG  18          1HH1      ARG  18  -4.537  11.454   1.835
  134   2HH1  ARG  18          2HH1      ARG  18  -4.967  11.351   0.162
  135   1HH2  ARG  18          1HH2      ARG  18  -2.522  13.627  -0.912
  136   2HH2  ARG  18          2HH2      ARG  18  -3.819  12.591  -1.404
  137    H    CYS  19           H        CYS  19   0.314   7.298   2.492
  138    HA   CYS  19           HA       CYS  19  -2.249   6.187   1.772
  139   1HB   CYS  19          2HB       CYS  19  -1.571   7.273  -0.355
  140   2HB   CYS  19          1HB       CYS  19  -0.064   6.360  -0.324
  141    H    SER  20           H        SER  20  -2.206   3.904   1.735
  142    HA   SER  20           HA       SER  20   0.369   2.637   2.250
  143   1HB   SER  20          2HB       SER  20  -1.090   1.360   4.125
  144   2HB   SER  20          1HB       SER  20  -0.034   2.728   4.460
  145    HG   SER  20           HG       SER  20  -2.554   3.445   3.619
  146    H    CYS  21           H        CYS  21   0.555   0.606   1.625
  147    HA   CYS  21           HA       CYS  21  -1.580  -0.402  -0.033
  148   1HB   CYS  21          2HB       CYS  21   0.506  -0.734  -1.057
  149   2HB   CYS  21          1HB       CYS  21   1.266  -1.315   0.419
  150    H    SER  22           H        SER  22  -3.185  -0.986   1.259
  151    HA   SER  22           HA       SER  22  -2.723  -2.791   3.490
  152   1HB   SER  22          2HB       SER  22  -4.365  -0.950   3.748
  153   2HB   SER  22          1HB       SER  22  -5.297  -1.597   2.399
  154    HG   SER  22           HG       SER  22  -5.703  -3.446   3.624
  155    H    TYR  23           H        TYR  23  -1.861  -4.410   2.154
  156    HA   TYR  23           HA       TYR  23  -2.518  -5.655  -0.038
  157   1HB   TYR  23          2HB       TYR  23  -0.859  -6.472   1.624
  158   2HB   TYR  23          1HB       TYR  23  -2.175  -7.199   2.537
  159    HD1  TYR  23           1HD      TYR  23  -1.053  -7.153  -1.035
  160    HD2  TYR  23           2HD      TYR  23  -2.363  -9.478   2.279
  161    HE1  TYR  23           1HE      TYR  23  -0.864  -9.190  -2.396
  162    HE2  TYR  23           2HE      TYR  23  -2.175 -11.522   0.925
  163    HH   TYR  23           HH       TYR  23  -0.479 -11.796  -1.771
  164    HA   PRO  24           HA       PRO  24  -3.070  -6.222  -1.409
  165   1HB   PRO  24          2HB       PRO  24  -4.569  -7.169  -3.393
  166   2HB   PRO  24          1HB       PRO  24  -3.858  -8.260  -2.198
  167   1HG   PRO  24          2HG       PRO  24  -6.675  -7.466  -2.561
  168   2HG   PRO  24          1HG       PRO  24  -6.007  -8.888  -1.743
  169   1HD   PRO  24          2HD       PRO  24  -6.859  -6.341  -0.593
  170   2HD   PRO  24          1HD       PRO  24  -6.415  -7.849   0.239
  171    H    VAL  25           H        VAL  25  -4.674  -3.909  -0.422
  172    HA   VAL  25           HA       VAL  25  -5.137  -2.658  -3.049
  173    HB   VAL  25           HB       VAL  25  -7.038  -2.060  -0.815
  174   1HG1  VAL  25          1HG1      VAL  25  -6.648  -1.181  -3.524
  175   2HG1  VAL  25          2HG1      VAL  25  -7.663  -0.500  -2.253
  176   3HG1  VAL  25          3HG1      VAL  25  -8.285  -1.791  -3.281
  177   1HG2  VAL  25          1HG2      VAL  25  -7.879  -4.135  -0.974
  178   2HG2  VAL  25          2HG2      VAL  25  -7.018  -4.468  -2.476
  179   3HG2  VAL  25          3HG2      VAL  25  -8.542  -3.583  -2.512
  180    H    CYS  26           H        CYS  26  -4.512  -0.572  -3.176
  181    HA   CYS  26           HA       CYS  26  -3.040   0.530  -0.952
  182   1HB   CYS  26          2HB       CYS  26  -3.461   1.590  -3.752
  183   2HB   CYS  26          1HB       CYS  26  -2.263   2.130  -2.594
  184    H    LYS  27           H        LYS  27  -3.795   2.110   0.357
  185    HA   LYS  27           HA       LYS  27  -5.876   3.900  -0.580
  186   1HB   LYS  27          2HB       LYS  27  -7.168   2.030   0.304
  187   2HB   LYS  27          1HB       LYS  27  -6.246   2.061   1.796
  188   1HG   LYS  27          2HG       LYS  27  -8.254   3.071   2.360
  189   2HG   LYS  27          1HG       LYS  27  -7.166   4.431   2.099
  190   1HD   LYS  27          2HD       LYS  27  -8.932   3.403  -0.100
  191   2HD   LYS  27          1HD       LYS  27  -9.539   4.542   1.100
  192   1HE   LYS  27          2HE       LYS  27  -7.257   4.954  -0.824
  193   2HE   LYS  27          1HE       LYS  27  -8.817   5.771  -0.826
  194   1HZ   LYS  27          1HZ       LYS  27  -7.521   7.313   0.216
  195   2HZ   LYS  27          2HZ       LYS  27  -6.504   6.166   0.939
  196   3HZ   LYS  27          3HZ       LYS  27  -8.054   6.446   1.567
  Start of MODEL   13
    1   1H    SER   1          1HT       SER   1   1.180  14.882   0.705
    2   2H    SER   1          2HT       SER   1   2.506  13.920   1.131
    3   3H    SER   1          3HT       SER   1   1.607  14.701   2.333
    4    HA   SER   1           HA       SER   1   1.266  12.157   1.645
    5   1HB   SER   1          2HB       SER   1  -1.059  13.847   2.521
    6   2HB   SER   1          1HB       SER   1  -0.506  12.295   3.158
    7    HG   SER   1           HG       SER   1  -0.010  14.124   4.524
    8    H    ALA   2           H        ALA   2   1.399  12.970  -0.909
    9    HA   ALA   2           HA       ALA   2  -1.110  13.476  -2.135
   10   1HB   ALA   2          1HB       ALA   2   0.024  13.165  -4.224
   11   2HB   ALA   2          2HB       ALA   2   1.358  12.327  -3.431
   12   3HB   ALA   2          3HB       ALA   2   1.101  14.047  -3.138
   13    H    ILE   3           H        ILE   3  -2.674  12.112  -2.637
   14    HA   ILE   3           HA       ILE   3  -2.443   9.337  -1.987
   15    HB   ILE   3           HB       ILE   3  -4.818  10.628  -3.314
   16   1HG1  ILE   3          2HG1      ILE   3  -4.250  10.550  -0.342
   17   2HG1  ILE   3          1HG1      ILE   3  -4.044  11.981  -1.346
   18   1HG2  ILE   3          1HG2      ILE   3  -6.076   8.922  -2.119
   19   2HG2  ILE   3          2HG2      ILE   3  -4.598   8.349  -1.344
   20   3HG2  ILE   3          3HG2      ILE   3  -4.805   8.173  -3.088
   21   1HD1  ILE   3          1HD1      ILE   3  -6.656  10.528  -1.023
   22   2HD1  ILE   3          2HD1      ILE   3  -6.380  12.095  -1.784
   23   3HD1  ILE   3          3HD1      ILE   3  -6.161  11.910  -0.045
   24    H    SER   4           H        SER   4  -0.641   9.464  -3.850
   25    HA   SER   4           HA       SER   4  -1.652   9.171  -6.517
   26   1HB   SER   4          2HB       SER   4   1.080   8.611  -5.348
   27   2HB   SER   4          1HB       SER   4   0.688   8.718  -7.056
   28    HG   SER   4           HG       SER   4   0.598  10.833  -6.928
   29    H    CYS   5           H        CYS   5  -2.928   7.379  -4.858
   30    HA   CYS   5           HA       CYS   5  -1.845   4.797  -5.715
   31   1HB   CYS   5          2HB       CYS   5  -3.084   5.670  -3.135
   32   2HB   CYS   5          1HB       CYS   5  -3.311   4.013  -3.670
   33    H    GLY   6           H        GLY   6  -4.845   4.621  -4.166
   34   1HA   GLY   6          2HA       GLY   6  -6.989   4.264  -4.902
   35   2HA   GLY   6          1HA       GLY   6  -6.595   5.269  -6.289
   36    H    GLU   7           H        GLU   7  -5.047   2.247  -5.321
   37    HA   GLU   7           HA       GLU   7  -6.367   0.776  -7.433
   38   1HB   GLU   7          2HB       GLU   7  -4.287   0.134  -8.553
   39   2HB   GLU   7          1HB       GLU   7  -4.529   1.876  -8.631
   40   1HG   GLU   7          2HG       GLU   7  -2.929   2.229  -6.888
   41   2HG   GLU   7          1HG       GLU   7  -2.770   0.497  -6.619
   42    H    THR   8           H        THR   8  -5.456  -1.485  -7.539
   43    HA   THR   8           HA       THR   8  -5.354  -2.544  -4.854
   44    HB   THR   8           HB       THR   8  -5.301  -4.772  -6.147
   45    HG1  THR   8           1HG      THR   8  -4.636  -3.556  -8.148
   46   1HG2  THR   8          1HG2      THR   8  -7.492  -4.748  -5.729
   47   2HG2  THR   8          2HG2      THR   8  -7.774  -3.656  -7.085
   48   3HG2  THR   8          3HG2      THR   8  -7.394  -3.003  -5.490
   49    H    CYS   9           H        CYS   9  -3.698  -3.886  -4.041
   50    HA   CYS   9           HA       CYS   9  -1.227  -4.118  -5.530
   51   1HB   CYS   9          2HB       CYS   9  -0.903  -1.946  -4.619
   52   2HB   CYS   9          1HB       CYS   9  -1.517  -2.431  -3.046
   53    H    PHE  10           H        PHE  10  -1.284  -6.288  -5.361
   54    HA   PHE  10           HA       PHE  10  -1.786  -7.616  -2.859
   55   1HB   PHE  10          2HB       PHE  10  -1.092  -8.610  -5.622
   56   2HB   PHE  10          1HB       PHE  10  -1.283  -9.679  -4.244
   57    HD1  PHE  10           1HD      PHE  10  -3.289 -10.765  -4.134
   58    HD2  PHE  10           2HD      PHE  10  -3.176  -6.840  -5.775
   59    HE1  PHE  10           1HE      PHE  10  -5.708 -10.876  -4.560
   60    HE2  PHE  10           2HE      PHE  10  -5.595  -6.943  -6.200
   61    HZ   PHE  10           HZ       PHE  10  -6.865  -8.964  -5.593
   62    H    LYS  11           H        LYS  11   0.268  -6.129  -2.218
   63    HA   LYS  11           HA       LYS  11   2.257  -7.869  -1.352
   64   1HB   LYS  11          2HB       LYS  11   2.743  -7.760  -3.897
   65   2HB   LYS  11          1HB       LYS  11   3.365  -6.151  -3.557
   66   1HG   LYS  11          2HG       LYS  11   5.120  -6.972  -2.266
   67   2HG   LYS  11          1HG       LYS  11   4.345  -8.540  -2.042
   68   1HD   LYS  11          2HD       LYS  11   5.135  -7.601  -4.775
   69   2HD   LYS  11          1HD       LYS  11   6.322  -8.340  -3.701
   70   1HE   LYS  11          2HE       LYS  11   5.385 -10.019  -5.172
   71   2HE   LYS  11          1HE       LYS  11   4.886 -10.332  -3.513
   72   1HZ   LYS  11          1HZ       LYS  11   3.077 -10.612  -5.127
   73   2HZ   LYS  11          2HZ       LYS  11   3.206  -8.980  -5.558
   74   3HZ   LYS  11          3HZ       LYS  11   2.723  -9.407  -3.990
   75    H    PHE  12           H        PHE  12   3.993  -5.235  -2.377
   76    HA   PHE  12           HA       PHE  12   3.059  -3.344  -0.402
   77   1HB   PHE  12          2HB       PHE  12   4.569  -5.006   0.808
   78   2HB   PHE  12          1HB       PHE  12   5.889  -4.373  -0.172
   79    HD1  PHE  12           1HD      PHE  12   7.255  -3.262   1.342
   80    HD2  PHE  12           2HD      PHE  12   3.058  -2.554   1.397
   81    HE1  PHE  12           1HE      PHE  12   7.587  -1.442   2.964
   82    HE2  PHE  12           2HE      PHE  12   3.383  -0.734   3.018
   83    HZ   PHE  12           HZ       PHE  12   5.649  -0.175   3.806
   84    H    LYS  13           H        LYS  13   2.809  -2.564  -2.758
   85    HA   LYS  13           HA       LYS  13   5.275  -1.585  -3.917
   86   1HB   LYS  13          2HB       LYS  13   3.605  -2.519  -5.422
   87   2HB   LYS  13          1HB       LYS  13   2.419  -1.339  -4.870
   88   1HG   LYS  13          2HG       LYS  13   3.608   0.453  -5.880
   89   2HG   LYS  13          1HG       LYS  13   5.000  -0.577  -6.219
   90   1HD   LYS  13          2HD       LYS  13   3.681  -0.184  -8.237
   91   2HD   LYS  13          1HD       LYS  13   3.655  -1.890  -7.786
   92   1HE   LYS  13          2HE       LYS  13   1.445  -1.220  -8.447
   93   2HE   LYS  13          1HE       LYS  13   1.452  -1.533  -6.716
   94   1HZ   LYS  13          1HZ       LYS  13   1.911   1.216  -7.621
   95   2HZ   LYS  13          2HZ       LYS  13   1.130   0.655  -6.229
   96   3HZ   LYS  13          3HZ       LYS  13   0.334   0.594  -7.734
   97    H    CYS  14           H        CYS  14   2.278  -0.192  -2.666
   98    HA   CYS  14           HA       CYS  14   3.396   2.478  -2.861
   99   1HB   CYS  14          2HB       CYS  14   0.755   1.799  -1.599
  100   2HB   CYS  14          1HB       CYS  14   1.232   3.268  -2.442
  101    H    TYR  15           H        TYR  15   4.045   3.724  -1.174
  102    HA   TYR  15           HA       TYR  15   3.534   2.947   1.555
  103   1HB   TYR  15          2HB       TYR  15   6.129   3.155   1.982
  104   2HB   TYR  15          1HB       TYR  15   5.418   1.617   1.517
  105    HD1  TYR  15           1HD      TYR  15   6.450   0.420  -0.150
  106    HD2  TYR  15           2HD      TYR  15   6.911   4.652  -0.099
  107    HE1  TYR  15           1HE      TYR  15   7.993   0.270  -2.058
  108    HE2  TYR  15           2HE      TYR  15   8.452   4.512  -2.011
  109    HH   TYR  15           HH       TYR  15   8.896   1.589  -3.799
  110    H    THR  16           H        THR  16   3.061   5.116  -0.329
  111    HA   THR  16           HA       THR  16   4.542   7.395   0.710
  112    HB   THR  16           HB       THR  16   2.141   7.679  -1.068
  113    HG1  THR  16           1HG      THR  16   3.340   6.987  -2.866
  114   1HG2  THR  16          1HG2      THR  16   3.829   9.210  -2.255
  115   2HG2  THR  16          2HG2      THR  16   4.842   8.981  -0.830
  116   3HG2  THR  16          3HG2      THR  16   3.245   9.714  -0.667
  117    HA   PRO  17           HA       PRO  17   1.584   8.243   3.950
  118   1HB   PRO  17          2HB       PRO  17   1.344  11.007   3.663
  119   2HB   PRO  17          1HB       PRO  17   2.568  10.180   4.629
  120   1HG   PRO  17          2HG       PRO  17   2.771  11.312   1.879
  121   2HG   PRO  17          1HG       PRO  17   3.980  11.282   3.174
  122   1HD   PRO  17          2HD       PRO  17   4.117   9.609   1.079
  123   2HD   PRO  17          1HD       PRO  17   4.606   9.100   2.709
  124    H    ARG  18           H        ARG  18  -0.446   7.640   3.651
  125    HA   ARG  18           HA       ARG  18  -2.628   7.579   3.079
  126   1HB   ARG  18          2HB       ARG  18  -2.639  10.034   3.374
  127   2HB   ARG  18          1HB       ARG  18  -2.134  10.224   1.705
  128   1HG   ARG  18          2HG       ARG  18  -4.603  10.559   2.234
  129   2HG   ARG  18          1HG       ARG  18  -4.204   9.509   0.873
  130   1HD   ARG  18          2HD       ARG  18  -5.917   8.425   2.107
  131   2HD   ARG  18          1HD       ARG  18  -4.420   7.557   2.435
  132    HE   ARG  18           HE       ARG  18  -5.214   9.605   4.346
  133   1HH1  ARG  18          1HH1      ARG  18  -4.935   6.199   3.534
  134   2HH1  ARG  18          2HH1      ARG  18  -5.303   5.666   5.149
  135   1HH2  ARG  18          1HH2      ARG  18  -5.745   8.886   6.469
  136   2HH2  ARG  18          2HH2      ARG  18  -5.775   7.187   6.811
  137    H    CYS  19           H        CYS  19  -0.390   6.599   1.563
  138    HA   CYS  19           HA       CYS  19  -1.802   5.692  -0.786
  139   1HB   CYS  19          2HB       CYS  19  -0.564   7.781  -1.496
  140   2HB   CYS  19          1HB       CYS  19   0.932   6.982  -1.040
  141    H    SER  20           H        SER  20  -1.442   4.264   1.349
  142    HA   SER  20           HA       SER  20   1.097   2.820   1.188
  143   1HB   SER  20          2HB       SER  20  -0.641   1.889   3.276
  144   2HB   SER  20          1HB       SER  20   0.917   2.709   3.415
  145    HG   SER  20           HG       SER  20  -1.637   3.940   3.107
  146    H    CYS  21           H        CYS  21   1.266   0.717   0.642
  147    HA   CYS  21           HA       CYS  21  -0.958  -0.503  -0.706
  148   1HB   CYS  21          2HB       CYS  21   1.231  -0.846  -1.653
  149   2HB   CYS  21          1HB       CYS  21   1.854  -1.485  -0.139
  150    H    SER  22           H        SER  22  -2.465  -0.695   0.962
  151    HA   SER  22           HA       SER  22  -1.868  -2.382   3.225
  152   1HB   SER  22          2HB       SER  22  -4.371  -0.901   2.366
  153   2HB   SER  22          1HB       SER  22  -4.173  -1.767   3.882
  154    HG   SER  22           HG       SER  22  -3.180   0.689   3.104
  155    H    TYR  23           H        TYR  23  -1.404  -4.178   1.890
  156    HA   TYR  23           HA       TYR  23  -2.518  -5.499  -0.043
  157   1HB   TYR  23          2HB       TYR  23  -0.756  -6.427   1.387
  158   2HB   TYR  23          1HB       TYR  23  -1.948  -6.793   2.627
  159    HD1  TYR  23           1HD      TYR  23  -1.545  -7.418  -1.043
  160    HD2  TYR  23           2HD      TYR  23  -2.538  -9.010   2.773
  161    HE1  TYR  23           1HE      TYR  23  -1.921  -9.620  -2.066
  162    HE2  TYR  23           2HE      TYR  23  -2.915 -11.217   1.760
  163    HH   TYR  23           HH       TYR  23  -2.808 -12.434  -0.099
  164    HA   PRO  24           HA       PRO  24  -3.343  -6.067  -1.281
  165   1HB   PRO  24          2HB       PRO  24  -5.227  -6.870  -2.966
  166   2HB   PRO  24          1HB       PRO  24  -4.548  -7.994  -1.781
  167   1HG   PRO  24          2HG       PRO  24  -7.211  -6.698  -1.834
  168   2HG   PRO  24          1HG       PRO  24  -6.717  -8.217  -1.070
  169   1HD   PRO  24          2HD       PRO  24  -6.957  -5.587   0.129
  170   2HD   PRO  24          1HD       PRO  24  -6.574  -7.133   0.919
  171    H    VAL  25           H        VAL  25  -4.562  -3.496  -0.215
  172    HA   VAL  25           HA       VAL  25  -5.083  -2.292  -2.855
  173    HB   VAL  25           HB       VAL  25  -6.747  -1.454  -0.507
  174   1HG1  VAL  25          1HG1      VAL  25  -6.518  -0.704  -3.309
  175   2HG1  VAL  25          2HG1      VAL  25  -7.163   0.196  -1.937
  176   3HG1  VAL  25          3HG1      VAL  25  -8.178  -0.976  -2.778
  177   1HG2  VAL  25          1HG2      VAL  25  -7.876  -3.237  -2.625
  178   2HG2  VAL  25          2HG2      VAL  25  -8.490  -2.896  -1.007
  179   3HG2  VAL  25          3HG2      VAL  25  -7.077  -3.931  -1.214
  180    H    CYS  26           H        CYS  26  -4.278  -0.272  -3.110
  181    HA   CYS  26           HA       CYS  26  -2.584   0.760  -0.991
  182   1HB   CYS  26          2HB       CYS  26  -2.950   1.403  -3.909
  183   2HB   CYS  26          1HB       CYS  26  -1.987   2.413  -2.854
  184    H    LYS  27           H        LYS  27  -3.467   2.099   0.469
  185    HA   LYS  27           HA       LYS  27  -5.090   4.335  -0.418
  186   1HB   LYS  27          2HB       LYS  27  -6.677   2.430  -0.030
  187   2HB   LYS  27          1HB       LYS  27  -6.154   2.391   1.646
  188   1HG   LYS  27          2HG       LYS  27  -8.268   3.552   1.412
  189   2HG   LYS  27          1HG       LYS  27  -7.008   4.652   1.974
  190   1HD   LYS  27          2HD       LYS  27  -6.729   5.454  -0.349
  191   2HD   LYS  27          1HD       LYS  27  -8.061   4.408  -0.845
  192   1HE   LYS  27          2HE       LYS  27  -8.207   6.679   1.133
  193   2HE   LYS  27          1HE       LYS  27  -8.841   6.687  -0.511
  194   1HZ   LYS  27          1HZ       LYS  27  -9.995   5.617   1.878
  195   2HZ   LYS  27          2HZ       LYS  27  -9.968   4.483   0.627
  196   3HZ   LYS  27          3HZ       LYS  27 -10.729   5.977   0.396
  Start of MODEL   14
    1   1H    SER   1          1HT       SER   1   4.954  13.439  -4.326
    2   2H    SER   1          2HT       SER   1   4.417  13.440  -2.720
    3   3H    SER   1          3HT       SER   1   4.206  14.814  -3.683
    4    HA   SER   1           HA       SER   1   2.387  14.030  -4.678
    5   1HB   SER   1          2HB       SER   1   3.465  11.215  -4.424
    6   2HB   SER   1          1HB       SER   1   2.259  11.813  -5.568
    7    HG   SER   1           HG       SER   1   4.066  11.825  -6.752
    8    H    ALA   2           H        ALA   2   0.391  13.492  -3.812
    9    HA   ALA   2           HA       ALA   2   0.389  12.857  -0.981
   10   1HB   ALA   2          1HB       ALA   2  -0.979  14.718  -1.888
   11   2HB   ALA   2          2HB       ALA   2  -1.931  13.518  -1.013
   12   3HB   ALA   2          3HB       ALA   2  -1.940  13.534  -2.777
   13    H    ILE   3           H        ILE   3  -2.502  11.807  -1.680
   14    HA   ILE   3           HA       ILE   3  -1.844   9.048  -1.451
   15    HB   ILE   3           HB       ILE   3  -4.598  10.072  -2.089
   16   1HG1  ILE   3          2HG1      ILE   3  -3.293  10.039   0.644
   17   2HG1  ILE   3          1HG1      ILE   3  -3.632  11.490  -0.291
   18   1HG2  ILE   3          1HG2      ILE   3  -3.520   7.736  -0.517
   19   2HG2  ILE   3          2HG2      ILE   3  -4.409   7.688  -2.039
   20   3HG2  ILE   3          3HG2      ILE   3  -5.223   8.189  -0.557
   21   1HD1  ILE   3          1HD1      ILE   3  -5.268  10.358   1.594
   22   2HD1  ILE   3          2HD1      ILE   3  -5.977   9.815   0.072
   23   3HD1  ILE   3          3HD1      ILE   3  -5.752  11.538   0.375
   24    H    SER   4           H        SER   4  -0.581   9.560  -3.650
   25    HA   SER   4           HA       SER   4  -2.112   9.366  -6.046
   26   1HB   SER   4          2HB       SER   4   0.846   8.973  -5.555
   27   2HB   SER   4          1HB       SER   4   0.075   9.239  -7.112
   28    HG   SER   4           HG       SER   4  -0.704  11.266  -6.173
   29    H    CYS   5           H        CYS   5  -3.112   7.351  -4.718
   30    HA   CYS   5           HA       CYS   5  -1.870   4.954  -5.849
   31   1HB   CYS   5          2HB       CYS   5  -3.343   5.262  -3.224
   32   2HB   CYS   5          1HB       CYS   5  -2.755   3.750  -3.885
   33    H    GLY   6           H        GLY   6  -4.697   4.342  -4.160
   34   1HA   GLY   6          2HA       GLY   6  -6.908   4.061  -4.740
   35   2HA   GLY   6          1HA       GLY   6  -6.621   5.094  -6.130
   36    H    GLU   7           H        GLU   7  -5.048   2.032  -5.295
   37    HA   GLU   7           HA       GLU   7  -6.536   0.570  -7.272
   38   1HB   GLU   7          2HB       GLU   7  -4.615  -0.043  -8.659
   39   2HB   GLU   7          1HB       GLU   7  -4.926   1.685  -8.726
   40   1HG   GLU   7          2HG       GLU   7  -3.068   2.152  -7.313
   41   2HG   GLU   7          1HG       GLU   7  -2.839   0.440  -6.956
   42    H    THR   8           H        THR   8  -5.239  -1.644  -7.593
   43    HA   THR   8           HA       THR   8  -5.123  -2.781  -4.946
   44    HB   THR   8           HB       THR   8  -4.713  -4.929  -6.266
   45    HG1  THR   8           1HG      THR   8  -4.112  -3.401  -8.184
   46   1HG2  THR   8          1HG2      THR   8  -7.204  -4.036  -7.416
   47   2HG2  THR   8          2HG2      THR   8  -7.046  -3.470  -5.753
   48   3HG2  THR   8          3HG2      THR   8  -6.925  -5.192  -6.113
   49    H    CYS   9           H        CYS   9  -3.355  -4.157  -4.205
   50    HA   CYS   9           HA       CYS   9  -0.804  -3.784  -5.510
   51   1HB   CYS   9          2HB       CYS   9   0.328  -3.040  -3.453
   52   2HB   CYS   9          1HB       CYS   9  -0.851  -1.868  -4.018
   53    H    PHE  10           H        PHE  10  -0.451  -5.835  -5.863
   54    HA   PHE  10           HA       PHE  10  -1.072  -7.942  -4.055
   55   1HB   PHE  10          2HB       PHE  10   0.532  -7.784  -6.600
   56   2HB   PHE  10          1HB       PHE  10   0.447  -9.265  -5.661
   57    HD1  PHE  10           1HD      PHE  10  -2.063  -6.697  -6.708
   58    HD2  PHE  10           2HD      PHE  10  -0.941 -10.802  -6.628
   59    HE1  PHE  10           1HE      PHE  10  -4.173  -7.291  -7.823
   60    HE2  PHE  10           2HE      PHE  10  -3.049 -11.402  -7.745
   61    HZ   PHE  10           HZ       PHE  10  -4.667  -9.646  -8.344
   62    H    LYS  11           H        LYS  11   1.333  -5.662  -4.198
   63    HA   LYS  11           HA       LYS  11   2.961  -7.079  -2.223
   64   1HB   LYS  11          2HB       LYS  11   4.061  -5.435  -4.526
   65   2HB   LYS  11          1HB       LYS  11   5.015  -6.084  -3.199
   66   1HG   LYS  11          2HG       LYS  11   3.555  -7.644  -5.320
   67   2HG   LYS  11          1HG       LYS  11   5.301  -7.493  -5.109
   68   1HD   LYS  11          2HD       LYS  11   5.306  -8.824  -3.190
   69   2HD   LYS  11          1HD       LYS  11   3.574  -8.611  -2.929
   70   1HE   LYS  11          2HE       LYS  11   3.329  -9.836  -5.196
   71   2HE   LYS  11          1HE       LYS  11   4.988 -10.359  -4.906
   72   1HZ   LYS  11          1HZ       LYS  11   2.670 -10.820  -3.103
   73   2HZ   LYS  11          2HZ       LYS  11   4.263 -11.294  -2.783
   74   3HZ   LYS  11          3HZ       LYS  11   3.422 -11.986  -4.077
   75    H    PHE  12           H        PHE  12   4.034  -5.566  -0.754
   76    HA   PHE  12           HA       PHE  12   2.364  -3.272  -0.254
   77   1HB   PHE  12          2HB       PHE  12   4.701  -4.445   1.258
   78   2HB   PHE  12          1HB       PHE  12   3.823  -3.017   1.787
   79    HD1  PHE  12           1HD      PHE  12   2.302  -3.364   3.443
   80    HD2  PHE  12           2HD      PHE  12   2.990  -6.481   0.629
   81    HE1  PHE  12           1HE      PHE  12   0.700  -4.793   4.642
   82    HE2  PHE  12           2HE      PHE  12   1.385  -7.915   1.820
   83    HZ   PHE  12           HZ       PHE  12   0.239  -7.072   3.829
   84    H    LYS  13           H        LYS  13   3.281  -2.548  -2.468
   85    HA   LYS  13           HA       LYS  13   5.690  -0.974  -1.996
   86   1HB   LYS  13          2HB       LYS  13   5.763  -2.476  -3.944
   87   2HB   LYS  13          1HB       LYS  13   4.369  -1.651  -4.627
   88   1HG   LYS  13          2HG       LYS  13   5.584   0.255  -5.137
   89   2HG   LYS  13          1HG       LYS  13   6.854  -0.122  -3.972
   90   1HD   LYS  13          2HD       LYS  13   6.322  -1.736  -6.462
   91   2HD   LYS  13          1HD       LYS  13   7.506  -0.430  -6.369
   92   1HE   LYS  13          2HE       LYS  13   7.493  -2.939  -4.691
   93   2HE   LYS  13          1HE       LYS  13   8.560  -2.614  -6.058
   94   1HZ   LYS  13          1HZ       LYS  13   9.893  -1.363  -4.800
   95   2HZ   LYS  13          2HZ       LYS  13   9.125  -2.066  -3.470
   96   3HZ   LYS  13          3HZ       LYS  13   8.615  -0.556  -4.038
   97    H    CYS  14           H        CYS  14   2.440  -0.577  -1.840
   98    HA   CYS  14           HA       CYS  14   2.401   2.113  -2.938
   99   1HB   CYS  14          2HB       CYS  14   0.307   0.358  -1.688
  100   2HB   CYS  14          1HB       CYS  14   0.026   2.083  -1.900
  101    H    TYR  15           H        TYR  15   4.281   2.292  -1.274
  102    HA   TYR  15           HA       TYR  15   3.278   3.115   1.348
  103   1HB   TYR  15          2HB       TYR  15   5.868   3.396   1.710
  104   2HB   TYR  15          1HB       TYR  15   5.136   1.797   1.741
  105    HD1  TYR  15           1HD      TYR  15   6.142   0.120   0.514
  106    HD2  TYR  15           2HD      TYR  15   6.700   4.162  -0.711
  107    HE1  TYR  15           1HE      TYR  15   7.699  -0.626  -1.239
  108    HE2  TYR  15           2HE      TYR  15   8.247   3.420  -2.472
  109    HH   TYR  15           HH       TYR  15   9.577   1.634  -3.119
  110    H    THR  16           H        THR  16   2.670   4.587  -0.983
  111    HA   THR  16           HA       THR  16   4.268   6.893  -1.323
  112    HB   THR  16           HB       THR  16   1.296   6.869  -1.777
  113    HG1  THR  16           1HG      THR  16   1.537   5.536  -3.536
  114   1HG2  THR  16          1HG2      THR  16   1.942   8.027  -3.860
  115   2HG2  THR  16          2HG2      THR  16   3.637   7.894  -3.391
  116   3HG2  THR  16          3HG2      THR  16   2.527   8.866  -2.423
  117    HA   PRO  17           HA       PRO  17   3.410   9.232   2.367
  118   1HB   PRO  17          2HB       PRO  17   2.959  11.502   0.478
  119   2HB   PRO  17          1HB       PRO  17   3.970  11.429   1.927
  120   1HG   PRO  17          2HG       PRO  17   5.065  11.306  -0.495
  121   2HG   PRO  17          1HG       PRO  17   5.684  10.313   0.837
  122   1HD   PRO  17          2HD       PRO  17   4.024   9.521  -1.507
  123   2HD   PRO  17          1HD       PRO  17   5.266   8.598  -0.637
  124    H    ARG  18           H        ARG  18   1.570   9.080   3.418
  125    HA   ARG  18           HA       ARG  18  -0.575   9.311   4.082
  126   1HB   ARG  18          2HB       ARG  18  -0.317  11.607   3.075
  127   2HB   ARG  18          1HB       ARG  18  -1.017  10.964   1.603
  128   1HG   ARG  18          2HG       ARG  18  -2.705  12.132   2.851
  129   2HG   ARG  18          1HG       ARG  18  -3.069  10.406   2.866
  130   1HD   ARG  18          2HD       ARG  18  -2.115  10.209   5.097
  131   2HD   ARG  18          1HD       ARG  18  -1.687  11.918   5.080
  132    HE   ARG  18           HE       ARG  18  -4.199  10.807   5.758
  133   1HH1  ARG  18          1HH1      ARG  18  -2.773  13.578   4.157
  134   2HH1  ARG  18          2HH1      ARG  18  -4.132  14.611   4.451
  135   1HH2  ARG  18          1HH2      ARG  18  -5.996  12.172   6.151
  136   2HH2  ARG  18          2HH2      ARG  18  -5.968  13.809   5.586
  137    H    CYS  19           H        CYS  19   0.374   7.184   2.363
  138    HA   CYS  19           HA       CYS  19  -2.188   6.063   1.616
  139   1HB   CYS  19          2HB       CYS  19  -1.575   6.992  -0.516
  140   2HB   CYS  19          1HB       CYS  19   0.079   6.414  -0.359
  141    H    SER  20           H        SER  20  -2.210   3.830   1.790
  142    HA   SER  20           HA       SER  20   0.337   2.528   2.421
  143   1HB   SER  20          2HB       SER  20  -1.369   1.303   4.171
  144   2HB   SER  20          1HB       SER  20  -0.226   2.576   4.589
  145    HG   SER  20           HG       SER  20  -2.690   3.394   3.571
  146    H    CYS  21           H        CYS  21   0.554   0.494   1.783
  147    HA   CYS  21           HA       CYS  21  -1.468  -0.508  -0.016
  148   1HB   CYS  21          2HB       CYS  21   0.757  -0.821  -0.819
  149   2HB   CYS  21          1HB       CYS  21   1.292  -1.545   0.693
  150    H    SER  22           H        SER  22  -3.175  -1.019   1.234
  151    HA   SER  22           HA       SER  22  -2.900  -2.833   3.465
  152   1HB   SER  22          2HB       SER  22  -5.363  -1.607   2.192
  153   2HB   SER  22          1HB       SER  22  -5.281  -2.417   3.746
  154    HG   SER  22           HG       SER  22  -4.100   0.043   3.013
  155    H    TYR  23           H        TYR  23  -1.984  -4.440   2.074
  156    HA   TYR  23           HA       TYR  23  -2.604  -5.676  -0.121
  157   1HB   TYR  23          2HB       TYR  23  -1.031  -6.500   1.654
  158   2HB   TYR  23          1HB       TYR  23  -2.405  -7.280   2.428
  159    HD1  TYR  23           1HD      TYR  23  -1.310  -7.048  -1.139
  160    HD2  TYR  23           2HD      TYR  23  -2.230  -9.569   2.161
  161    HE1  TYR  23           1HE      TYR  23  -0.964  -9.022  -2.558
  162    HE2  TYR  23           2HE      TYR  23  -1.886 -11.552   0.748
  163    HH   TYR  23           HH       TYR  23  -1.986 -12.076  -1.752
  164    HA   PRO  24           HA       PRO  24  -3.146  -6.148  -1.516
  165   1HB   PRO  24          2HB       PRO  24  -4.604  -7.019  -3.561
  166   2HB   PRO  24          1HB       PRO  24  -3.938  -8.155  -2.381
  167   1HG   PRO  24          2HG       PRO  24  -6.737  -7.305  -2.787
  168   2HG   PRO  24          1HG       PRO  24  -6.111  -8.766  -2.007
  169   1HD   PRO  24          2HD       PRO  24  -6.952  -6.253  -0.782
  170   2HD   PRO  24          1HD       PRO  24  -6.544  -7.795   0.002
  171    H    VAL  25           H        VAL  25  -4.732  -3.853  -0.488
  172    HA   VAL  25           HA       VAL  25  -5.180  -2.525  -3.081
  173    HB   VAL  25           HB       VAL  25  -7.052  -1.949  -0.821
  174   1HG1  VAL  25          1HG1      VAL  25  -7.715  -0.375  -2.222
  175   2HG1  VAL  25          2HG1      VAL  25  -8.300  -1.642  -3.298
  176   3HG1  VAL  25          3HG1      VAL  25  -6.670  -1.001  -3.496
  177   1HG2  VAL  25          1HG2      VAL  25  -8.464  -3.658  -1.239
  178   2HG2  VAL  25          2HG2      VAL  25  -7.008  -4.452  -1.840
  179   3HG2  VAL  25          3HG2      VAL  25  -8.110  -3.661  -2.968
  180    H    CYS  26           H        CYS  26  -4.504  -0.471  -3.178
  181    HA   CYS  26           HA       CYS  26  -3.009   0.597  -0.950
  182   1HB   CYS  26          2HB       CYS  26  -3.431   1.817  -3.677
  183   2HB   CYS  26          1HB       CYS  26  -2.118   2.103  -2.555
  184    H    LYS  27           H        LYS  27  -3.822   2.076   0.422
  185    HA   LYS  27           HA       LYS  27  -5.780   4.000  -0.508
  186   1HB   LYS  27          2HB       LYS  27  -7.247   2.210   0.177
  187   2HB   LYS  27          1HB       LYS  27  -6.371   1.999   1.685
  188   1HG   LYS  27          2HG       LYS  27  -7.572   4.658   1.180
  189   2HG   LYS  27          1HG       LYS  27  -8.670   3.322   1.527
  190   1HD   LYS  27          2HD       LYS  27  -7.894   3.062   3.670
  191   2HD   LYS  27          1HD       LYS  27  -6.289   3.682   3.278
  192   1HE   LYS  27          2HE       LYS  27  -8.802   5.340   3.470
  193   2HE   LYS  27          1HE       LYS  27  -7.568   5.212   4.724
  194   1HZ   LYS  27          1HZ       LYS  27  -6.182   5.873   2.448
  195   2HZ   LYS  27          2HZ       LYS  27  -6.580   6.915   3.724
  196   3HZ   LYS  27          3HZ       LYS  27  -7.585   6.821   2.370
  Start of MODEL   15
    1   1H    SER   1          1HT       SER   1  -5.067   8.131   0.214
    2   2H    SER   1          2HT       SER   1  -3.570   8.505   0.902
    3   3H    SER   1          3HT       SER   1  -3.658   7.965  -0.700
    4    HA   SER   1           HA       SER   1  -5.310  10.121  -0.672
    5   1HB   SER   1          2HB       SER   1  -2.800  10.693   0.925
    6   2HB   SER   1          1HB       SER   1  -3.964  11.898   0.376
    7    HG   SER   1           HG       SER   1  -4.924  11.497   2.198
    8    H    ALA   2           H        ALA   2  -1.891   9.163  -0.941
    9    HA   ALA   2           HA       ALA   2  -1.222  10.915  -3.037
   10   1HB   ALA   2          1HB       ALA   2   0.569   9.962  -1.862
   11   2HB   ALA   2          2HB       ALA   2   0.627   9.217  -3.460
   12   3HB   ALA   2          3HB       ALA   2  -0.040   8.323  -2.095
   13    H    ILE   3           H        ILE   3  -0.564  10.151  -5.253
   14    HA   ILE   3           HA       ILE   3  -2.758   9.325  -6.719
   15    HB   ILE   3           HB       ILE   3   0.144   9.106  -7.531
   16   1HG1  ILE   3          2HG1      ILE   3  -0.455  11.378  -6.831
   17   2HG1  ILE   3          1HG1      ILE   3  -0.193  11.309  -8.570
   18   1HG2  ILE   3          1HG2      ILE   3  -1.329   7.806  -8.982
   19   2HG2  ILE   3          2HG2      ILE   3  -0.678   9.212  -9.827
   20   3HG2  ILE   3          3HG2      ILE   3  -2.340   9.229  -9.238
   21   1HD1  ILE   3          1HD1      ILE   3  -2.080  12.588  -8.459
   22   2HD1  ILE   3          2HD1      ILE   3  -2.707  11.741  -7.045
   23   3HD1  ILE   3          3HD1      ILE   3  -2.790  10.983  -8.635
   24    H    SER   4           H        SER   4   0.025   7.397  -5.634
   25    HA   SER   4           HA       SER   4  -0.840   4.986  -6.866
   26   1HB   SER   4          2HB       SER   4   1.095   5.320  -4.575
   27   2HB   SER   4          1HB       SER   4   1.019   4.009  -5.741
   28    HG   SER   4           HG       SER   4   1.476   5.643  -7.367
   29    H    CYS   5           H        CYS   5  -3.011   5.881  -5.521
   30    HA   CYS   5           HA       CYS   5  -3.256   4.020  -3.250
   31   1HB   CYS   5          2HB       CYS   5  -3.918   6.849  -3.468
   32   2HB   CYS   5          1HB       CYS   5  -5.286   5.881  -2.945
   33    H    GLY   6           H        GLY   6  -4.794   5.476  -6.043
   34   1HA   GLY   6          2HA       GLY   6  -7.204   3.920  -5.816
   35   2HA   GLY   6          1HA       GLY   6  -6.754   4.960  -7.159
   36    H    GLU   7           H        GLU   7  -5.138   2.164  -5.718
   37    HA   GLU   7           HA       GLU   7  -5.632   0.556  -8.083
   38   1HB   GLU   7          2HB       GLU   7  -3.259   0.136  -8.509
   39   2HB   GLU   7          1HB       GLU   7  -3.619   1.849  -8.684
   40   1HG   GLU   7          2HG       GLU   7  -2.730   2.260  -6.451
   41   2HG   GLU   7          1HG       GLU   7  -2.362   0.549  -6.280
   42    H    THR   8           H        THR   8  -4.640  -1.626  -7.804
   43    HA   THR   8           HA       THR   8  -4.987  -2.494  -5.043
   44    HB   THR   8           HB       THR   8  -4.882  -4.818  -6.169
   45    HG1  THR   8           1HG      THR   8  -5.698  -4.449  -8.482
   46   1HG2  THR   8          1HG2      THR   8  -7.221  -4.764  -6.705
   47   2HG2  THR   8          2HG2      THR   8  -7.171  -3.020  -6.968
   48   3HG2  THR   8          3HG2      THR   8  -6.950  -3.674  -5.345
   49    H    CYS   9           H        CYS   9  -3.420  -4.279  -4.307
   50    HA   CYS   9           HA       CYS   9  -0.832  -4.122  -5.561
   51   1HB   CYS   9          2HB       CYS   9   0.305  -3.395  -3.491
   52   2HB   CYS   9          1HB       CYS   9  -0.762  -2.163  -4.152
   53    H    PHE  10           H        PHE  10  -0.543  -6.184  -5.827
   54    HA   PHE  10           HA       PHE  10  -1.331  -8.220  -4.005
   55   1HB   PHE  10          2HB       PHE  10   0.496  -8.215  -6.415
   56   2HB   PHE  10          1HB       PHE  10   0.154  -9.662  -5.484
   57    HD1  PHE  10           1HD      PHE  10  -1.367 -11.066  -6.446
   58    HD2  PHE  10           2HD      PHE  10  -1.845  -6.870  -6.969
   59    HE1  PHE  10           1HE      PHE  10  -3.378 -11.468  -7.805
   60    HE2  PHE  10           2HE      PHE  10  -3.858  -7.265  -8.326
   61    HZ   PHE  10           HZ       PHE  10  -4.627  -9.566  -8.746
   62    H    LYS  11           H        LYS  11   1.280  -6.106  -4.290
   63    HA   LYS  11           HA       LYS  11   2.730  -7.438  -2.116
   64   1HB   LYS  11          2HB       LYS  11   3.866  -6.164  -4.608
   65   2HB   LYS  11          1HB       LYS  11   4.815  -6.287  -3.137
   66   1HG   LYS  11          2HG       LYS  11   5.466  -8.125  -4.408
   67   2HG   LYS  11          1HG       LYS  11   4.334  -8.792  -3.232
   68   1HD   LYS  11          2HD       LYS  11   2.549  -8.657  -4.953
   69   2HD   LYS  11          1HD       LYS  11   3.759  -8.114  -6.118
   70   1HE   LYS  11          2HE       LYS  11   3.785 -10.748  -4.644
   71   2HE   LYS  11          1HE       LYS  11   3.305 -10.515  -6.324
   72   1HZ   LYS  11          1HZ       LYS  11   6.005 -10.074  -5.170
   73   2HZ   LYS  11          2HZ       LYS  11   5.574  -9.674  -6.755
   74   3HZ   LYS  11          3HZ       LYS  11   5.550 -11.290  -6.256
   75    H    PHE  12           H        PHE  12   4.070  -5.747  -0.893
   76    HA   PHE  12           HA       PHE  12   2.368  -3.472  -0.393
   77   1HB   PHE  12          2HB       PHE  12   4.840  -4.535   0.968
   78   2HB   PHE  12          1HB       PHE  12   4.103  -3.005   1.428
   79    HD1  PHE  12           1HD      PHE  12   2.833  -6.448   0.672
   80    HD2  PHE  12           2HD      PHE  12   2.885  -3.139   3.348
   81    HE1  PHE  12           1HE      PHE  12   1.275  -7.634   2.162
   82    HE2  PHE  12           2HE      PHE  12   1.328  -4.320   4.843
   83    HZ   PHE  12           HZ       PHE  12   0.521  -6.569   4.251
   84    H    LYS  13           H        LYS  13   2.859  -2.824  -2.620
   85    HA   LYS  13           HA       LYS  13   5.379  -1.486  -3.017
   86   1HB   LYS  13          2HB       LYS  13   4.366  -2.779  -4.845
   87   2HB   LYS  13          1HB       LYS  13   2.968  -1.718  -4.823
   88   1HG   LYS  13          2HG       LYS  13   5.643  -0.508  -5.285
   89   2HG   LYS  13          1HG       LYS  13   4.907  -1.441  -6.586
   90   1HD   LYS  13          2HD       LYS  13   3.615   0.893  -5.168
   91   2HD   LYS  13          1HD       LYS  13   4.406   0.971  -6.744
   92   1HE   LYS  13          2HE       LYS  13   2.781  -0.664  -7.615
   93   2HE   LYS  13          1HE       LYS  13   1.976  -0.676  -6.044
   94   1HZ   LYS  13          1HZ       LYS  13   2.297   1.748  -7.727
   95   2HZ   LYS  13          2HZ       LYS  13   1.391   1.611  -6.309
   96   3HZ   LYS  13          3HZ       LYS  13   0.900   0.788  -7.705
   97    H    CYS  14           H        CYS  14   2.136  -0.614  -2.147
   98    HA   CYS  14           HA       CYS  14   2.638   2.184  -2.717
   99   1HB   CYS  14          2HB       CYS  14   0.250   0.833  -1.453
  100   2HB   CYS  14          1HB       CYS  14   0.350   2.546  -1.844
  101    H    TYR  15           H        TYR  15   3.523   3.523  -1.379
  102    HA   TYR  15           HA       TYR  15   3.039   3.519   1.431
  103   1HB   TYR  15          2HB       TYR  15   5.592   3.428   1.916
  104   2HB   TYR  15          1HB       TYR  15   4.717   1.919   1.704
  105    HD1  TYR  15           1HD      TYR  15   5.706   0.308   0.395
  106    HD2  TYR  15           2HD      TYR  15   6.598   4.398  -0.391
  107    HE1  TYR  15           1HE      TYR  15   7.311  -0.377  -1.338
  108    HE2  TYR  15           2HE      TYR  15   8.198   3.720  -2.130
  109    HH   TYR  15           HH       TYR  15   8.790   0.291  -2.847
  110    H    THR  16           H        THR  16   2.608   5.201  -0.750
  111    HA   THR  16           HA       THR  16   4.520   7.358  -0.710
  112    HB   THR  16           HB       THR  16   2.156   8.208  -1.969
  113    HG1  THR  16           1HG      THR  16   2.341   6.005  -3.383
  114   1HG2  THR  16          1HG2      THR  16   3.439   7.985  -4.005
  115   2HG2  THR  16          2HG2      THR  16   4.543   6.850  -3.227
  116   3HG2  THR  16          3HG2      THR  16   4.502   8.536  -2.710
  117    HA   PRO  17           HA       PRO  17   2.831  10.174   2.269
  118   1HB   PRO  17          2HB       PRO  17   1.466  11.802   0.169
  119   2HB   PRO  17          1HB       PRO  17   2.510  12.329   1.495
  120   1HG   PRO  17          2HG       PRO  17   3.441  12.206  -0.995
  121   2HG   PRO  17          1HG       PRO  17   4.452  11.731   0.382
  122   1HD   PRO  17          2HD       PRO  17   3.084  10.030  -1.642
  123   2HD   PRO  17          1HD       PRO  17   4.616   9.760  -0.789
  124    H    ARG  18           H        ARG  18   1.322   9.426   3.518
  125    HA   ARG  18           HA       ARG  18  -0.581   8.576   4.343
  126   1HB   ARG  18          2HB       ARG  18  -1.081  11.121   3.563
  127   2HB   ARG  18          1HB       ARG  18  -2.284  10.255   2.639
  128   1HG   ARG  18          2HG       ARG  18  -2.084  10.698   5.558
  129   2HG   ARG  18          1HG       ARG  18  -3.501  10.692   4.515
  130   1HD   ARG  18          2HD       ARG  18  -1.999   8.203   5.330
  131   2HD   ARG  18          1HD       ARG  18  -3.393   8.831   6.198
  132    HE   ARG  18           HE       ARG  18  -3.392   7.337   3.750
  133   1HH1  ARG  18          1HH1      ARG  18  -5.205   9.670   5.639
  134   2HH1  ARG  18          2HH1      ARG  18  -6.715   9.292   4.883
  135   1HH2  ARG  18          1HH2      ARG  18  -5.365   6.820   2.755
  136   2HH2  ARG  18          2HH2      ARG  18  -6.809   7.662   3.245
  137    H    CYS  19           H        CYS  19   0.441   7.030   2.390
  138    HA   CYS  19           HA       CYS  19  -1.967   5.783   1.357
  139   1HB   CYS  19          2HB       CYS  19  -1.078   7.388  -0.427
  140   2HB   CYS  19          1HB       CYS  19   0.324   6.326  -0.537
  141    H    SER  20           H        SER  20  -1.819   3.743   1.934
  142    HA   SER  20           HA       SER  20   0.815   2.455   1.832
  143   1HB   SER  20          2HB       SER  20  -0.274   1.219   3.982
  144   2HB   SER  20          1HB       SER  20   0.841   2.579   4.080
  145    HG   SER  20           HG       SER  20  -1.750   3.364   3.706
  146    H    CYS  21           H        CYS  21   0.889   0.393   1.282
  147    HA   CYS  21           HA       CYS  21  -1.367  -0.579  -0.160
  148   1HB   CYS  21          2HB       CYS  21   0.712  -1.106  -1.142
  149   2HB   CYS  21          1HB       CYS  21   1.377  -1.747   0.356
  150    H    SER  22           H        SER  22  -3.022  -0.965   1.173
  151    HA   SER  22           HA       SER  22  -2.723  -2.690   3.476
  152   1HB   SER  22          2HB       SER  22  -5.287  -1.578   2.324
  153   2HB   SER  22          1HB       SER  22  -4.949  -2.054   3.978
  154    HG   SER  22           HG       SER  22  -3.236  -0.136   3.182
  155    H    TYR  23           H        TYR  23  -1.935  -4.371   2.057
  156    HA   TYR  23           HA       TYR  23  -2.701  -5.642  -0.053
  157   1HB   TYR  23          2HB       TYR  23  -1.090  -6.544   1.588
  158   2HB   TYR  23          1HB       TYR  23  -2.433  -7.124   2.565
  159    HD1  TYR  23           1HD      TYR  23  -2.662  -9.409   2.452
  160    HD2  TYR  23           2HD      TYR  23  -1.561  -7.299  -1.073
  161    HE1  TYR  23           1HE      TYR  23  -2.676 -11.518   1.192
  162    HE2  TYR  23           2HE      TYR  23  -1.574  -9.402  -2.344
  163    HH   TYR  23           HH       TYR  23  -1.239 -12.019  -1.583
  164    HA   PRO  24           HA       PRO  24  -3.302  -6.134  -1.420
  165   1HB   PRO  24          2HB       PRO  24  -4.870  -6.959  -3.403
  166   2HB   PRO  24          1HB       PRO  24  -4.231  -8.108  -2.221
  167   1HG   PRO  24          2HG       PRO  24  -6.989  -7.112  -2.560
  168   2HG   PRO  24          1HG       PRO  24  -6.420  -8.591  -1.769
  169   1HD   PRO  24          2HD       PRO  24  -7.089  -6.015  -0.569
  170   2HD   PRO  24          1HD       PRO  24  -6.732  -7.560   0.234
  171    H    VAL  25           H        VAL  25  -4.838  -3.765  -0.378
  172    HA   VAL  25           HA       VAL  25  -5.123  -2.403  -2.969
  173    HB   VAL  25           HB       VAL  25  -7.135  -1.785  -0.852
  174   1HG1  VAL  25          1HG1      VAL  25  -7.062  -0.148  -2.502
  175   2HG1  VAL  25          2HG1      VAL  25  -8.447  -1.149  -2.938
  176   3HG1  VAL  25          3HG1      VAL  25  -6.920  -1.333  -3.800
  177   1HG2  VAL  25          1HG2      VAL  25  -7.116  -4.305  -1.713
  178   2HG2  VAL  25          2HG2      VAL  25  -7.998  -3.573  -3.053
  179   3HG2  VAL  25          3HG2      VAL  25  -8.615  -3.425  -1.407
  180    H    CYS  26           H        CYS  26  -4.322  -0.409  -2.977
  181    HA   CYS  26           HA       CYS  26  -2.900   0.567  -0.701
  182   1HB   CYS  26          2HB       CYS  26  -3.412   1.901  -3.366
  183   2HB   CYS  26          1HB       CYS  26  -2.112   2.241  -2.237
  184    H    LYS  27           H        LYS  27  -3.366   2.398   0.573
  185    HA   LYS  27           HA       LYS  27  -5.732   3.976  -0.023
  186   1HB   LYS  27          2HB       LYS  27  -6.302   1.794   1.312
  187   2HB   LYS  27          1HB       LYS  27  -5.645   2.687   2.676
  188   1HG   LYS  27          2HG       LYS  27  -7.431   4.028   2.821
  189   2HG   LYS  27          1HG       LYS  27  -7.595   4.170   1.070
  190   1HD   LYS  27          2HD       LYS  27  -8.342   1.680   2.583
  191   2HD   LYS  27          1HD       LYS  27  -9.483   2.990   2.281
  192   1HE   LYS  27          2HE       LYS  27  -9.806   1.335   0.586
  193   2HE   LYS  27          1HE       LYS  27  -9.027   2.726  -0.161
  194   1HZ   LYS  27          1HZ       LYS  27  -8.199   0.221  -0.491
  195   2HZ   LYS  27          2HZ       LYS  27  -7.238   0.662   0.828
  196   3HZ   LYS  27          3HZ       LYS  27  -7.166   1.560  -0.606
  Start of MODEL   16
    1   1H    SER   1          1HT       SER   1  -0.137  16.286  -0.776
    2   2H    SER   1          2HT       SER   1   1.484  16.727  -0.573
    3   3H    SER   1          3HT       SER   1   0.570  16.225   0.761
    4    HA   SER   1           HA       SER   1   2.219  14.632  -0.581
    5   1HB   SER   1          2HB       SER   1  -0.374  13.691   0.653
    6   2HB   SER   1          1HB       SER   1   1.212  12.918   0.727
    7    HG   SER   1           HG       SER   1   0.917  13.959   2.661
    8    H    ALA   2           H        ALA   2   2.200  13.237  -2.310
    9    HA   ALA   2           HA       ALA   2   0.075  13.589  -4.235
   10   1HB   ALA   2          1HB       ALA   2   2.267  11.659  -4.737
   11   2HB   ALA   2          2HB       ALA   2   2.702  13.361  -4.582
   12   3HB   ALA   2          3HB       ALA   2   1.540  12.855  -5.809
   13    H    ILE   3           H        ILE   3  -1.667  12.352  -4.251
   14    HA   ILE   3           HA       ILE   3  -1.648   9.803  -2.902
   15    HB   ILE   3           HB       ILE   3  -3.493  11.328  -2.437
   16   1HG1  ILE   3          2HG1      ILE   3  -5.374   9.789  -2.775
   17   2HG1  ILE   3          1HG1      ILE   3  -4.441   8.897  -3.970
   18   1HG2  ILE   3          1HG2      ILE   3  -5.040  11.089  -4.821
   19   2HG2  ILE   3          2HG2      ILE   3  -3.463  11.777  -5.211
   20   3HG2  ILE   3          3HG2      ILE   3  -4.481  12.543  -3.992
   21   1HD1  ILE   3          1HD1      ILE   3  -2.789   8.850  -1.797
   22   2HD1  ILE   3          2HD1      ILE   3  -3.904   7.566  -2.270
   23   3HD1  ILE   3          3HD1      ILE   3  -4.391   8.756  -1.063
   24    H    SER   4           H        SER   4  -0.018   9.574  -4.955
   25    HA   SER   4           HA       SER   4  -1.292   8.707  -7.366
   26   1HB   SER   4          2HB       SER   4   1.563   8.351  -6.439
   27   2HB   SER   4          1HB       SER   4   0.960   8.220  -8.083
   28    HG   SER   4           HG       SER   4   1.190  10.288  -8.256
   29    H    CYS   5           H        CYS   5  -2.489   7.261  -5.459
   30    HA   CYS   5           HA       CYS   5  -1.456   4.578  -5.880
   31   1HB   CYS   5          2HB       CYS   5  -2.448   5.762  -3.278
   32   2HB   CYS   5          1HB       CYS   5  -2.039   4.078  -3.533
   33    H    GLY   6           H        GLY   6  -3.926   4.477  -3.726
   34   1HA   GLY   6          2HA       GLY   6  -6.210   4.172  -3.830
   35   2HA   GLY   6          1HA       GLY   6  -6.190   4.974  -5.389
   36    H    GLU   7           H        GLU   7  -4.158   2.892  -6.281
   37    HA   GLU   7           HA       GLU   7  -5.980   1.106  -7.535
   38   1HB   GLU   7          2HB       GLU   7  -3.942   0.119  -8.489
   39   2HB   GLU   7          1HB       GLU   7  -3.924   1.874  -8.607
   40   1HG   GLU   7          2HG       GLU   7  -2.472   1.993  -6.642
   41   2HG   GLU   7          1HG       GLU   7  -2.480   0.235  -6.533
   42    H    THR   8           H        THR   8  -4.711  -1.250  -7.622
   43    HA   THR   8           HA       THR   8  -5.190  -2.392  -4.965
   44    HB   THR   8           HB       THR   8  -5.038  -4.592  -6.368
   45    HG1  THR   8           1HG      THR   8  -5.444  -4.328  -8.546
   46   1HG2  THR   8          1HG2      THR   8  -7.462  -4.206  -7.156
   47   2HG2  THR   8          2HG2      THR   8  -7.303  -2.620  -6.401
   48   3HG2  THR   8          3HG2      THR   8  -7.121  -4.081  -5.431
   49    H    CYS   9           H        CYS   9  -3.575  -4.130  -4.272
   50    HA   CYS   9           HA       CYS   9  -1.024  -3.933  -5.608
   51   1HB   CYS   9          2HB       CYS   9   0.166  -3.260  -3.525
   52   2HB   CYS   9          1HB       CYS   9  -0.875  -2.008  -4.189
   53    H    PHE  10           H        PHE  10  -0.820  -6.025  -5.947
   54    HA   PHE  10           HA       PHE  10  -1.328  -7.998  -3.899
   55   1HB   PHE  10          2HB       PHE  10  -0.357  -8.133  -6.751
   56   2HB   PHE  10          1HB       PHE  10  -0.347  -9.544  -5.707
   57    HD1  PHE  10           1HD      PHE  10  -2.812  -6.803  -6.330
   58    HD2  PHE  10           2HD      PHE  10  -2.036 -10.987  -6.247
   59    HE1  PHE  10           1HE      PHE  10  -5.164  -7.246  -6.895
   60    HE2  PHE  10           2HE      PHE  10  -4.389 -11.436  -6.814
   61    HZ   PHE  10           HZ       PHE  10  -5.956  -9.566  -7.138
   62    H    LYS  11           H        LYS  11   0.589  -5.965  -3.430
   63    HA   LYS  11           HA       LYS  11   2.682  -7.366  -2.198
   64   1HB   LYS  11          2HB       LYS  11   3.298  -7.142  -4.817
   65   2HB   LYS  11          1HB       LYS  11   3.805  -5.544  -4.286
   66   1HG   LYS  11          2HG       LYS  11   5.684  -7.057  -4.265
   67   2HG   LYS  11          1HG       LYS  11   5.277  -6.586  -2.612
   68   1HD   LYS  11          2HD       LYS  11   5.722  -8.960  -2.676
   69   2HD   LYS  11          1HD       LYS  11   4.004  -8.699  -2.368
   70   1HE   LYS  11          2HE       LYS  11   3.890  -8.861  -5.013
   71   2HE   LYS  11          1HE       LYS  11   5.365  -9.796  -4.774
   72   1HZ   LYS  11          1HZ       LYS  11   3.883 -10.977  -2.986
   73   2HZ   LYS  11          2HZ       LYS  11   3.795 -11.425  -4.614
   74   3HZ   LYS  11          3HZ       LYS  11   2.617 -10.403  -3.953
   75    H    PHE  12           H        PHE  12   4.143  -5.604  -1.136
   76    HA   PHE  12           HA       PHE  12   2.395  -3.438  -0.356
   77   1HB   PHE  12          2HB       PHE  12   5.106  -4.329   0.614
   78   2HB   PHE  12          1HB       PHE  12   4.318  -2.873   1.211
   79    HD1  PHE  12           1HD      PHE  12   3.325  -6.430   0.584
   80    HD2  PHE  12           2HD      PHE  12   3.308  -3.105   3.240
   81    HE1  PHE  12           1HE      PHE  12   2.089  -7.765   2.240
   82    HE2  PHE  12           2HE      PHE  12   2.074  -4.434   4.901
   83    HZ   PHE  12           HZ       PHE  12   1.463  -6.768   4.402
   84    H    LYS  13           H        LYS  13   2.616  -2.842  -2.736
   85    HA   LYS  13           HA       LYS  13   4.920  -1.161  -3.249
   86   1HB   LYS  13          2HB       LYS  13   3.804  -2.805  -4.929
   87   2HB   LYS  13          1HB       LYS  13   2.610  -1.537  -5.135
   88   1HG   LYS  13          2HG       LYS  13   5.440  -0.736  -5.436
   89   2HG   LYS  13          1HG       LYS  13   4.781  -1.797  -6.681
   90   1HD   LYS  13          2HD       LYS  13   3.673   0.884  -5.832
   91   2HD   LYS  13          1HD       LYS  13   4.526   0.530  -7.335
   92   1HE   LYS  13          2HE       LYS  13   2.748  -0.875  -8.095
   93   2HE   LYS  13          1HE       LYS  13   1.949  -0.806  -6.526
   94   1HZ   LYS  13          1HZ       LYS  13   2.235   1.392  -8.495
   95   2HZ   LYS  13          2HZ       LYS  13   1.691   1.631  -6.914
   96   3HZ   LYS  13          3HZ       LYS  13   0.801   0.651  -7.975
   97    H    CYS  14           H        CYS  14   3.344  -0.247  -1.170
   98    HA   CYS  14           HA       CYS  14   2.678   2.370  -2.203
   99   1HB   CYS  14          2HB       CYS  14   0.628   0.740  -0.700
  100   2HB   CYS  14          1HB       CYS  14   0.501   2.464  -1.005
  101    H    TYR  15           H        TYR  15   3.846   3.606  -1.011
  102    HA   TYR  15           HA       TYR  15   3.628   3.606   1.856
  103   1HB   TYR  15          2HB       TYR  15   6.274   3.585   1.925
  104   2HB   TYR  15          1HB       TYR  15   5.367   2.078   1.963
  105    HD1  TYR  15           1HD      TYR  15   7.175   4.377  -0.341
  106    HD2  TYR  15           2HD      TYR  15   5.727   0.422   0.329
  107    HE1  TYR  15           1HE      TYR  15   8.381   3.601  -2.338
  108    HE2  TYR  15           2HE      TYR  15   6.940  -0.358  -1.661
  109    HH   TYR  15           HH       TYR  15   9.009   0.429  -2.992
  110    H    THR  16           H        THR  16   3.096   5.188  -0.512
  111    HA   THR  16           HA       THR  16   4.885   7.449  -0.513
  112    HB   THR  16           HB       THR  16   2.248   7.900  -1.684
  113    HG1  THR  16           1HG      THR  16   2.013   6.096  -2.815
  114   1HG2  THR  16          1HG2      THR  16   5.021   8.330  -2.293
  115   2HG2  THR  16          2HG2      THR  16   3.597   9.091  -3.004
  116   3HG2  THR  16          3HG2      THR  16   4.219   7.584  -3.677
  117    HA   PRO  17           HA       PRO  17   3.079   9.831   2.780
  118   1HB   PRO  17          2HB       PRO  17   2.638  12.045   0.835
  119   2HB   PRO  17          1HB       PRO  17   3.471  12.068   2.394
  120   1HG   PRO  17          2HG       PRO  17   4.851  12.112   0.116
  121   2HG   PRO  17          1HG       PRO  17   5.426  11.185   1.514
  122   1HD   PRO  17          2HD       PRO  17   4.125  10.223  -0.995
  123   2HD   PRO  17          1HD       PRO  17   5.405   9.468  -0.024
  124    H    ARG  18           H        ARG  18   1.136   9.288   3.457
  125    HA   ARG  18           HA       ARG  18  -1.093   9.092   3.711
  126   1HB   ARG  18          2HB       ARG  18  -1.141  11.508   3.038
  127   2HB   ARG  18          1HB       ARG  18  -1.359  10.994   1.378
  128   1HG   ARG  18          2HG       ARG  18  -3.338   9.787   3.122
  129   2HG   ARG  18          1HG       ARG  18  -3.348  11.544   3.242
  130   1HD   ARG  18          2HD       ARG  18  -3.824  11.815   0.965
  131   2HD   ARG  18          1HD       ARG  18  -3.345  10.164   0.576
  132    HE   ARG  18           HE       ARG  18  -5.911  11.056   1.549
  133   1HH1  ARG  18          1HH1      ARG  18  -3.772   8.314   1.126
  134   2HH1  ARG  18          2HH1      ARG  18  -5.046   7.126   1.246
  135   1HH2  ARG  18          1HH2      ARG  18  -7.590   9.485   1.730
  136   2HH2  ARG  18          2HH2      ARG  18  -7.196   7.801   1.605
  137    H    CYS  19           H        CYS  19   0.297   7.171   2.386
  138    HA   CYS  19           HA       CYS  19  -1.779   5.998   0.747
  139   1HB   CYS  19          2HB       CYS  19  -0.543   7.018  -1.006
  140   2HB   CYS  19          1HB       CYS  19   0.998   6.595  -0.270
  141    H    SER  20           H        SER  20  -1.975   3.891   1.247
  142    HA   SER  20           HA       SER  20   0.365   2.458   2.247
  143   1HB   SER  20          2HB       SER  20  -1.636   1.602   3.955
  144   2HB   SER  20          1HB       SER  20  -0.290   2.662   4.360
  145    HG   SER  20           HG       SER  20  -2.476   3.873   3.155
  146    H    CYS  21           H        CYS  21   0.489   0.438   1.693
  147    HA   CYS  21           HA       CYS  21  -1.685  -0.600   0.074
  148   1HB   CYS  21          2HB       CYS  21   0.415  -0.849  -1.012
  149   2HB   CYS  21          1HB       CYS  21   1.172  -1.557   0.410
  150    H    SER  22           H        SER  22  -3.205  -1.249   1.404
  151    HA   SER  22           HA       SER  22  -2.633  -2.977   3.652
  152   1HB   SER  22          2HB       SER  22  -5.258  -1.944   2.536
  153   2HB   SER  22          1HB       SER  22  -5.031  -2.754   4.075
  154    HG   SER  22           HG       SER  22  -4.051  -0.220   3.299
  155    H    TYR  23           H        TYR  23  -1.669  -4.455   2.126
  156    HA   TYR  23           HA       TYR  23  -2.302  -5.787   0.019
  157   1HB   TYR  23          2HB       TYR  23  -0.563  -6.421   1.716
  158   2HB   TYR  23          1HB       TYR  23  -1.805  -7.337   2.559
  159    HD1  TYR  23           1HD      TYR  23  -1.434  -9.596   2.286
  160    HD2  TYR  23           2HD      TYR  23  -0.878  -7.016  -1.050
  161    HE1  TYR  23           1HE      TYR  23  -0.934 -11.544   0.869
  162    HE2  TYR  23           2HE      TYR  23  -0.383  -8.956  -2.473
  163    HH   TYR  23           HH       TYR  23  -1.004 -12.136  -1.541
  164    HA   PRO  24           HA       PRO  24  -2.918  -6.284  -1.361
  165   1HB   PRO  24          2HB       PRO  24  -4.445  -7.265  -3.309
  166   2HB   PRO  24          1HB       PRO  24  -3.575  -8.346  -2.213
  167   1HG   PRO  24          2HG       PRO  24  -6.467  -7.785  -2.379
  168   2HG   PRO  24          1HG       PRO  24  -5.633  -9.180  -1.677
  169   1HD   PRO  24          2HD       PRO  24  -6.629  -6.778  -0.347
  170   2HD   PRO  24          1HD       PRO  24  -6.009  -8.279   0.378
  171    H    VAL  25           H        VAL  25  -4.717  -4.236  -0.134
  172    HA   VAL  25           HA       VAL  25  -5.617  -2.963  -2.649
  173    HB   VAL  25           HB       VAL  25  -6.941  -2.328  -0.052
  174   1HG1  VAL  25          1HG1      VAL  25  -7.125  -1.044  -2.319
  175   2HG1  VAL  25          2HG1      VAL  25  -8.545  -1.285  -1.300
  176   3HG1  VAL  25          3HG1      VAL  25  -8.280  -2.320  -2.704
  177   1HG2  VAL  25          1HG2      VAL  25  -7.022  -4.860  -0.658
  178   2HG2  VAL  25          2HG2      VAL  25  -8.173  -4.336  -1.888
  179   3HG2  VAL  25          3HG2      VAL  25  -8.503  -4.028  -0.184
  180    H    CYS  26           H        CYS  26  -4.942  -0.964  -2.989
  181    HA   CYS  26           HA       CYS  26  -3.250   0.291  -0.954
  182   1HB   CYS  26          2HB       CYS  26  -2.354  -0.164  -3.262
  183   2HB   CYS  26          1HB       CYS  26  -3.530   0.981  -3.885
  184    H    LYS  27           H        LYS  27  -3.891   2.137   0.057
  185    HA   LYS  27           HA       LYS  27  -5.860   3.874  -1.171
  186   1HB   LYS  27          2HB       LYS  27  -6.334   2.295   1.340
  187   2HB   LYS  27          1HB       LYS  27  -7.098   3.853   1.103
  188   1HG   LYS  27          2HG       LYS  27  -7.378   1.477  -0.719
  189   2HG   LYS  27          1HG       LYS  27  -8.569   2.008   0.470
  190   1HD   LYS  27          2HD       LYS  27  -9.032   3.986  -0.723
  191   2HD   LYS  27          1HD       LYS  27  -7.584   3.819  -1.719
  192   1HE   LYS  27          2HE       LYS  27  -9.962   1.962  -1.782
  193   2HE   LYS  27          1HE       LYS  27  -9.658   3.259  -2.939
  194   1HZ   LYS  27          1HZ       LYS  27  -7.395   1.539  -2.651
  195   2HZ   LYS  27          2HZ       LYS  27  -8.231   1.987  -4.053
  196   3HZ   LYS  27          3HZ       LYS  27  -8.772   0.677  -3.127
  Start of MODEL   17
    1   1H    SER   1          1HT       SER   1  -0.120   3.058 -10.998
    2   2H    SER   1          2HT       SER   1  -0.236   3.497  -9.366
    3   3H    SER   1          3HT       SER   1   1.253   3.593 -10.167
    4    HA   SER   1           HA       SER   1   0.189   5.249 -11.708
    5   1HB   SER   1          2HB       SER   1  -1.827   5.261  -9.441
    6   2HB   SER   1          1HB       SER   1  -1.847   6.307 -10.863
    7    HG   SER   1           HG       SER   1  -3.073   4.066 -10.672
    8    H    ALA   2           H        ALA   2   0.022   7.669 -10.827
    9    HA   ALA   2           HA       ALA   2   2.378   8.171  -9.364
   10   1HB   ALA   2          1HB       ALA   2   0.185   9.785 -10.487
   11   2HB   ALA   2          2HB       ALA   2   1.929  10.038 -10.555
   12   3HB   ALA   2          3HB       ALA   2   1.025  10.507  -9.115
   13    H    ILE   3           H        ILE   3  -1.021   8.665  -8.434
   14    HA   ILE   3           HA       ILE   3  -0.285   8.821  -5.652
   15    HB   ILE   3           HB       ILE   3  -3.039   8.840  -6.908
   16   1HG1  ILE   3          2HG1      ILE   3  -1.343  11.149  -5.926
   17   2HG1  ILE   3          1HG1      ILE   3  -1.641  10.756  -7.615
   18   1HG2  ILE   3          1HG2      ILE   3  -2.917   8.135  -4.515
   19   2HG2  ILE   3          2HG2      ILE   3  -3.856   9.602  -4.791
   20   3HG2  ILE   3          3HG2      ILE   3  -2.221   9.712  -4.141
   21   1HD1  ILE   3          1HD1      ILE   3  -4.114  11.052  -7.056
   22   2HD1  ILE   3          2HD1      ILE   3  -3.109  12.499  -7.144
   23   3HD1  ILE   3          3HD1      ILE   3  -3.551  11.826  -5.574
   24    H    SER   4           H        SER   4   0.344   6.882  -4.904
   25    HA   SER   4           HA       SER   4  -0.636   4.406  -5.818
   26   1HB   SER   4          2HB       SER   4   0.784   4.830  -3.208
   27   2HB   SER   4          1HB       SER   4   0.899   3.478  -4.328
   28    HG   SER   4           HG       SER   4   1.759   5.170  -5.841
   29    H    CYS   5           H        CYS   5  -2.939   5.424  -5.320
   30    HA   CYS   5           HA       CYS   5  -3.896   4.057  -2.923
   31   1HB   CYS   5          2HB       CYS   5  -4.200   6.920  -3.604
   32   2HB   CYS   5          1HB       CYS   5  -5.626   6.108  -2.996
   33    H    GLY   6           H        GLY   6  -4.665   5.575  -6.000
   34   1HA   GLY   6          2HA       GLY   6  -7.204   4.232  -6.241
   35   2HA   GLY   6          1HA       GLY   6  -6.434   5.235  -7.462
   36    H    GLU   7           H        GLU   7  -5.355   2.302  -5.787
   37    HA   GLU   7           HA       GLU   7  -5.673   0.614  -8.063
   38   1HB   GLU   7          2HB       GLU   7  -3.276   0.194  -8.483
   39   2HB   GLU   7          1HB       GLU   7  -3.737   1.846  -8.876
   40   1HG   GLU   7          2HG       GLU   7  -2.892   2.498  -6.610
   41   2HG   GLU   7          1HG       GLU   7  -2.224   0.878  -6.472
   42    H    THR   8           H        THR   8  -4.888  -1.531  -7.677
   43    HA   THR   8           HA       THR   8  -5.061  -2.262  -4.875
   44    HB   THR   8           HB       THR   8  -4.998  -4.627  -5.877
   45    HG1  THR   8           1HG      THR   8  -5.725  -4.480  -8.189
   46   1HG2  THR   8          1HG2      THR   8  -7.092  -3.875  -5.138
   47   2HG2  THR   8          2HG2      THR   8  -7.375  -4.331  -6.818
   48   3HG2  THR   8          3HG2      THR   8  -7.186  -2.632  -6.386
   49    H    CYS   9           H        CYS   9  -3.526  -4.192  -4.221
   50    HA   CYS   9           HA       CYS   9  -0.944  -4.038  -5.471
   51   1HB   CYS   9          2HB       CYS   9   0.265  -3.375  -3.445
   52   2HB   CYS   9          1HB       CYS   9  -0.821  -2.112  -4.006
   53    H    PHE  10           H        PHE  10  -0.736  -6.121  -5.801
   54    HA   PHE  10           HA       PHE  10  -1.499  -8.156  -3.958
   55   1HB   PHE  10          2HB       PHE  10   0.159  -8.147  -6.481
   56   2HB   PHE  10          1HB       PHE  10  -0.038  -9.597  -5.513
   57    HD1  PHE  10           1HD      PHE  10  -2.378  -6.913  -6.656
   58    HD2  PHE  10           2HD      PHE  10  -1.474 -11.069  -6.511
   59    HE1  PHE  10           1HE      PHE  10  -4.488  -7.410  -7.820
   60    HE2  PHE  10           2HE      PHE  10  -3.580 -11.572  -7.675
   61    HZ   PHE  10           HZ       PHE  10  -5.091  -9.741  -8.331
   62    H    LYS  11           H        LYS  11   1.181  -6.152  -4.481
   63    HA   LYS  11           HA       LYS  11   2.713  -7.465  -2.348
   64   1HB   LYS  11          2HB       LYS  11   3.825  -5.930  -4.721
   65   2HB   LYS  11          1HB       LYS  11   4.774  -6.622  -3.411
   66   1HG   LYS  11          2HG       LYS  11   3.102  -8.191  -5.366
   67   2HG   LYS  11          1HG       LYS  11   4.852  -7.983  -5.449
   68   1HD   LYS  11          2HD       LYS  11   3.417  -9.220  -3.102
   69   2HD   LYS  11          1HD       LYS  11   4.092 -10.150  -4.439
   70   1HE   LYS  11          2HE       LYS  11   5.666  -8.288  -2.665
   71   2HE   LYS  11          1HE       LYS  11   5.586 -10.039  -2.466
   72   1HZ   LYS  11          1HZ       LYS  11   7.245  -8.530  -4.179
   73   2HZ   LYS  11          2HZ       LYS  11   6.278  -9.560  -5.111
   74   3HZ   LYS  11          3HZ       LYS  11   7.258 -10.198  -3.889
   75    H    PHE  12           H        PHE  12   4.026  -5.797  -1.107
   76    HA   PHE  12           HA       PHE  12   2.335  -3.520  -0.588
   77   1HB   PHE  12          2HB       PHE  12   4.800  -4.611   0.757
   78   2HB   PHE  12          1HB       PHE  12   4.084  -3.075   1.229
   79    HD1  PHE  12           1HD      PHE  12   2.927  -3.235   3.183
   80    HD2  PHE  12           2HD      PHE  12   2.711  -6.464   0.419
   81    HE1  PHE  12           1HE      PHE  12   1.366  -4.408   4.680
   82    HE2  PHE  12           2HE      PHE  12   1.149  -7.641   1.910
   83    HZ   PHE  12           HZ       PHE  12   0.474  -6.613   4.044
   84    H    LYS  13           H        LYS  13   2.973  -2.951  -2.931
   85    HA   LYS  13           HA       LYS  13   5.419  -1.393  -3.000
   86   1HB   LYS  13          2HB       LYS  13   4.822  -1.053  -5.437
   87   2HB   LYS  13          1HB       LYS  13   5.172  -2.702  -4.950
   88   1HG   LYS  13          2HG       LYS  13   3.325  -2.854  -6.383
   89   2HG   LYS  13          1HG       LYS  13   2.659  -3.027  -4.760
   90   1HD   LYS  13          2HD       LYS  13   1.890  -0.745  -4.779
   91   2HD   LYS  13          1HD       LYS  13   2.701  -0.440  -6.316
   92   1HE   LYS  13          2HE       LYS  13   1.213  -1.902  -7.473
   93   2HE   LYS  13          1HE       LYS  13   0.525  -2.492  -5.961
   94   1HZ   LYS  13          1HZ       LYS  13  -1.051  -0.981  -6.526
   95   2HZ   LYS  13          2HZ       LYS  13   0.018   0.019  -7.386
   96   3HZ   LYS  13          3HZ       LYS  13  -0.012   0.066  -5.691
   97    H    CYS  14           H        CYS  14   3.147  -0.537  -1.379
   98    HA   CYS  14           HA       CYS  14   2.968   2.166  -2.475
   99   1HB   CYS  14          2HB       CYS  14   0.606   0.607  -1.404
  100   2HB   CYS  14          1HB       CYS  14   0.598   2.344  -1.660
  101    H    TYR  15           H        TYR  15   3.767   3.490  -1.064
  102    HA   TYR  15           HA       TYR  15   3.095   3.433   1.712
  103   1HB   TYR  15          2HB       TYR  15   5.647   3.376   2.313
  104   2HB   TYR  15          1HB       TYR  15   4.774   1.865   2.088
  105    HD1  TYR  15           1HD      TYR  15   6.930   4.294   0.250
  106    HD2  TYR  15           2HD      TYR  15   5.578   0.268   0.589
  107    HE1  TYR  15           1HE      TYR  15   8.556   3.609  -1.463
  108    HE2  TYR  15           2HE      TYR  15   7.208  -0.424  -1.118
  109    HH   TYR  15           HH       TYR  15   8.939   0.207  -2.377
  110    H    THR  16           H        THR  16   2.820   5.085  -0.519
  111    HA   THR  16           HA       THR  16   4.658   7.302  -0.307
  112    HB   THR  16           HB       THR  16   2.361   8.023  -1.786
  113    HG1  THR  16           1HG      THR  16   2.583   6.023  -3.264
  114   1HG2  THR  16          1HG2      THR  16   4.952   6.876  -2.833
  115   2HG2  THR  16          2HG2      THR  16   4.757   8.537  -2.270
  116   3HG2  THR  16          3HG2      THR  16   3.853   7.969  -3.676
  117    HA   PRO  17           HA       PRO  17   2.566   9.907   2.577
  118   1HB   PRO  17          2HB       PRO  17   1.844  11.825   0.414
  119   2HB   PRO  17          1HB       PRO  17   2.664  12.121   1.951
  120   1HG   PRO  17          2HG       PRO  17   4.033  12.080  -0.331
  121   2HG   PRO  17          1HG       PRO  17   4.712  11.384   1.152
  122   1HD   PRO  17          2HD       PRO  17   3.540  10.012  -1.225
  123   2HD   PRO  17          1HD       PRO  17   4.895   9.520  -0.190
  124    H    ARG  18           H        ARG  18   0.682   9.318   3.393
  125    HA   ARG  18           HA       ARG  18  -1.462   8.894   3.760
  126   1HB   ARG  18          2HB       ARG  18  -1.949  10.702   1.408
  127   2HB   ARG  18          1HB       ARG  18  -3.075  10.266   2.669
  128   1HG   ARG  18          2HG       ARG  18  -1.846  11.474   4.314
  129   2HG   ARG  18          1HG       ARG  18  -0.538  11.778   3.168
  130   1HD   ARG  18          2HD       ARG  18  -1.909  13.758   3.392
  131   2HD   ARG  18          1HD       ARG  18  -2.089  13.083   1.775
  132    HE   ARG  18           HE       ARG  18  -4.300  12.736   2.201
  133   1HH1  ARG  18          1HH1      ARG  18  -2.668  13.272   5.254
  134   2HH1  ARG  18          2HH1      ARG  18  -4.127  13.254   6.187
  135   1HH2  ARG  18          1HH2      ARG  18  -6.231  12.716   3.426
  136   2HH2  ARG  18          2HH2      ARG  18  -6.162  12.938   5.143
  137    H    CYS  19           H        CYS  19   0.029   7.162   1.856
  138    HA   CYS  19           HA       CYS  19  -2.256   5.735   0.809
  139   1HB   CYS  19          2HB       CYS  19  -0.010   6.855  -0.848
  140   2HB   CYS  19          1HB       CYS  19  -0.884   5.426  -1.347
  141    H    SER  20           H        SER  20  -1.950   3.848   1.891
  142    HA   SER  20           HA       SER  20   0.763   2.675   1.823
  143   1HB   SER  20          2HB       SER  20  -0.939   1.680   3.957
  144   2HB   SER  20          1HB       SER  20   0.696   2.330   4.041
  145    HG   SER  20           HG       SER  20  -1.677   3.887   3.862
  146    H    CYS  21           H        CYS  21   0.960   0.534   1.270
  147    HA   CYS  21           HA       CYS  21  -1.271  -0.572  -0.125
  148   1HB   CYS  21          2HB       CYS  21   0.830  -1.054  -1.094
  149   2HB   CYS  21          1HB       CYS  21   1.493  -1.676   0.414
  150    H    SER  22           H        SER  22  -2.875  -0.875   1.289
  151    HA   SER  22           HA       SER  22  -2.535  -2.606   3.579
  152   1HB   SER  22          2HB       SER  22  -4.918  -1.085   2.471
  153   2HB   SER  22          1HB       SER  22  -4.915  -2.003   3.967
  154    HG   SER  22           HG       SER  22  -4.093   0.521   3.549
  155    H    TYR  23           H        TYR  23  -1.872  -4.303   2.147
  156    HA   TYR  23           HA       TYR  23  -2.752  -5.536   0.055
  157   1HB   TYR  23          2HB       TYR  23  -1.118  -6.494   1.643
  158   2HB   TYR  23          1HB       TYR  23  -2.448  -7.042   2.657
  159    HD1  TYR  23           1HD      TYR  23  -2.834  -9.305   2.513
  160    HD2  TYR  23           2HD      TYR  23  -1.601  -7.225  -0.986
  161    HE1  TYR  23           1HE      TYR  23  -2.937 -11.404   1.235
  162    HE2  TYR  23           2HE      TYR  23  -1.703  -9.316  -2.274
  163    HH   TYR  23           HH       TYR  23  -1.521 -11.844  -1.695
  164    HA   PRO  24           HA       PRO  24  -3.396  -6.105  -1.288
  165   1HB   PRO  24          2HB       PRO  24  -5.057  -6.912  -3.205
  166   2HB   PRO  24          1HB       PRO  24  -4.425  -8.056  -2.015
  167   1HG   PRO  24          2HG       PRO  24  -7.152  -6.963  -2.295
  168   2HG   PRO  24          1HG       PRO  24  -6.615  -8.442  -1.485
  169   1HD   PRO  24          2HD       PRO  24  -7.154  -5.818  -0.332
  170   2HD   PRO  24          1HD       PRO  24  -6.824  -7.353   0.500
  171    H    VAL  25           H        VAL  25  -4.791  -3.652  -0.268
  172    HA   VAL  25           HA       VAL  25  -5.187  -2.375  -2.896
  173    HB   VAL  25           HB       VAL  25  -6.893  -1.561  -0.572
  174   1HG1  VAL  25          1HG1      VAL  25  -6.476  -0.607  -3.203
  175   2HG1  VAL  25          2HG1      VAL  25  -7.555   0.024  -1.959
  176   3HG1  VAL  25          3HG1      VAL  25  -8.133  -1.199  -3.090
  177   1HG2  VAL  25          1HG2      VAL  25  -8.429  -3.171  -0.859
  178   2HG2  VAL  25          2HG2      VAL  25  -7.130  -4.067  -1.646
  179   3HG2  VAL  25          3HG2      VAL  25  -8.272  -3.133  -2.615
  180    H    CYS  26           H        CYS  26  -4.342  -0.361  -3.066
  181    HA   CYS  26           HA       CYS  26  -2.571   0.486  -0.976
  182   1HB   CYS  26          2HB       CYS  26  -3.160   1.539  -3.742
  183   2HB   CYS  26          1HB       CYS  26  -1.946   2.210  -2.674
  184    H    LYS  27           H        LYS  27  -3.610   1.405   0.699
  185    HA   LYS  27           HA       LYS  27  -4.830   3.973   0.281
  186   1HB   LYS  27          2HB       LYS  27  -6.684   2.163   0.105
  187   2HB   LYS  27          1HB       LYS  27  -6.437   1.936   1.830
  188   1HG   LYS  27          2HG       LYS  27  -7.131   4.583   0.577
  189   2HG   LYS  27          1HG       LYS  27  -8.324   3.453   1.216
  190   1HD   LYS  27          2HD       LYS  27  -7.403   3.647   3.428
  191   2HD   LYS  27          1HD       LYS  27  -6.054   4.615   2.828
  192   1HE   LYS  27          2HE       LYS  27  -7.758   6.002   3.906
  193   2HE   LYS  27          1HE       LYS  27  -7.587   6.389   2.194
  194   1HZ   LYS  27          1HZ       LYS  27  -9.717   5.949   1.893
  195   2HZ   LYS  27          2HZ       LYS  27  -9.899   5.666   3.550
  196   3HZ   LYS  27          3HZ       LYS  27  -9.533   4.384   2.509
  Start of MODEL   18
    1   1H    SER   1          1HT       SER   1   0.825  14.600  -1.543
    2   2H    SER   1          2HT       SER   1  -0.366  13.708  -0.736
    3   3H    SER   1          3HT       SER   1  -0.782  15.135  -1.544
    4    HA   SER   1           HA       SER   1  -0.993  14.127  -3.490
    5   1HB   SER   1          2HB       SER   1   1.511  14.016  -3.575
    6   2HB   SER   1          1HB       SER   1   1.432  12.445  -2.777
    7    HG   SER   1           HG       SER   1   1.561  12.496  -5.176
    8    H    ALA   2           H        ALA   2  -2.009  12.189  -4.292
    9    HA   ALA   2           HA       ALA   2  -2.323   9.967  -2.445
   10   1HB   ALA   2          1HB       ALA   2  -4.944  10.358  -3.068
   11   2HB   ALA   2          2HB       ALA   2  -4.377  12.018  -2.878
   12   3HB   ALA   2          3HB       ALA   2  -4.184  10.864  -1.559
   13    H    ILE   3           H        ILE   3  -1.100  10.212  -4.994
   14    HA   ILE   3           HA       ILE   3  -2.881   9.205  -6.978
   15    HB   ILE   3           HB       ILE   3  -1.045  10.553  -7.726
   16   1HG1  ILE   3          2HG1      ILE   3   0.020   9.022  -9.391
   17   2HG1  ILE   3          1HG1      ILE   3  -0.700   7.661  -8.538
   18   1HG2  ILE   3          1HG2      ILE   3   0.624  10.302  -6.110
   19   2HG2  ILE   3          2HG2      ILE   3   1.316   9.612  -7.578
   20   3HG2  ILE   3          3HG2      ILE   3   0.686   8.553  -6.317
   21   1HD1  ILE   3          1HD1      ILE   3  -2.827   9.370  -9.020
   22   2HD1  ILE   3          2HD1      ILE   3  -2.439   7.885  -9.889
   23   3HD1  ILE   3          3HD1      ILE   3  -1.858   9.437 -10.492
   24    H    SER   4           H        SER   4  -0.261   7.796  -5.023
   25    HA   SER   4           HA       SER   4  -0.640   5.165  -6.048
   26   1HB   SER   4          2HB       SER   4   0.857   6.084  -3.589
   27   2HB   SER   4          1HB       SER   4   1.064   4.568  -4.452
   28    HG   SER   4           HG       SER   4   1.816   5.731  -6.240
   29    H    CYS   5           H        CYS   5  -3.086   5.830  -5.315
   30    HA   CYS   5           HA       CYS   5  -3.574   4.227  -2.912
   31   1HB   CYS   5          2HB       CYS   5  -4.571   6.950  -3.575
   32   2HB   CYS   5          1HB       CYS   5  -5.658   5.853  -2.756
   33    H    GLY   6           H        GLY   6  -4.912   5.586  -5.880
   34   1HA   GLY   6          2HA       GLY   6  -7.168   3.827  -5.944
   35   2HA   GLY   6          1HA       GLY   6  -6.629   4.873  -7.246
   36    H    GLU   7           H        GLU   7  -4.910   2.253  -5.599
   37    HA   GLU   7           HA       GLU   7  -5.028   0.633  -8.023
   38   1HB   GLU   7          2HB       GLU   7  -2.520   1.633  -6.728
   39   2HB   GLU   7          1HB       GLU   7  -2.533   0.113  -7.605
   40   1HG   GLU   7          2HG       GLU   7  -3.465   1.394  -9.551
   41   2HG   GLU   7          1HG       GLU   7  -3.079   2.851  -8.655
   42    H    THR   8           H        THR   8  -4.450  -1.497  -7.755
   43    HA   THR   8           HA       THR   8  -4.899  -2.515  -5.043
   44    HB   THR   8           HB       THR   8  -5.151  -4.743  -6.323
   45    HG1  THR   8           1HG      THR   8  -5.922  -4.218  -8.565
   46   1HG2  THR   8          1HG2      THR   8  -7.301  -2.875  -7.180
   47   2HG2  THR   8          2HG2      THR   8  -6.972  -3.015  -5.453
   48   3HG2  THR   8          3HG2      THR   8  -7.417  -4.445  -6.385
   49    H    CYS   9           H        CYS   9  -3.430  -4.012  -4.121
   50    HA   CYS   9           HA       CYS   9  -1.040  -4.668  -5.599
   51   1HB   CYS   9          2HB       CYS   9   0.461  -3.673  -3.896
   52   2HB   CYS   9          1HB       CYS   9  -0.464  -2.469  -4.787
   53    H    PHE  10           H        PHE  10  -1.233  -6.785  -5.293
   54    HA   PHE  10           HA       PHE  10  -1.946  -7.935  -2.761
   55   1HB   PHE  10          2HB       PHE  10  -1.069  -9.122  -5.397
   56   2HB   PHE  10          1HB       PHE  10  -1.430 -10.096  -3.982
   57    HD1  PHE  10           1HD      PHE  10  -3.491 -11.079  -3.973
   58    HD2  PHE  10           2HD      PHE  10  -3.045  -7.286  -5.852
   59    HE1  PHE  10           1HE      PHE  10  -5.870 -11.112  -4.598
   60    HE2  PHE  10           2HE      PHE  10  -5.424  -7.312  -6.478
   61    HZ   PHE  10           HZ       PHE  10  -6.840  -9.226  -5.850
   62    H    LYS  11           H        LYS  11   0.193  -6.354  -2.322
   63    HA   LYS  11           HA       LYS  11   2.042  -8.015  -1.047
   64   1HB   LYS  11          2HB       LYS  11   2.751  -8.356  -3.480
   65   2HB   LYS  11          1HB       LYS  11   3.259  -6.672  -3.469
   66   1HG   LYS  11          2HG       LYS  11   4.832  -7.148  -1.666
   67   2HG   LYS  11          1HG       LYS  11   4.312  -8.833  -1.650
   68   1HD   LYS  11          2HD       LYS  11   6.368  -8.665  -2.889
   69   2HD   LYS  11          1HD       LYS  11   5.057  -9.032  -4.010
   70   1HE   LYS  11          2HE       LYS  11   4.939  -6.677  -4.650
   71   2HE   LYS  11          1HE       LYS  11   6.231  -6.297  -3.512
   72   1HZ   LYS  11          1HZ       LYS  11   6.426  -7.958  -5.962
   73   2HZ   LYS  11          2HZ       LYS  11   7.653  -7.865  -4.802
   74   3HZ   LYS  11          3HZ       LYS  11   7.192  -6.480  -5.655
   75    H    PHE  12           H        PHE  12   3.701  -5.435  -2.499
   76    HA   PHE  12           HA       PHE  12   2.767  -3.388  -0.683
   77   1HB   PHE  12          2HB       PHE  12   4.441  -4.798   0.599
   78   2HB   PHE  12          1HB       PHE  12   5.657  -4.258  -0.553
   79    HD1  PHE  12           1HD      PHE  12   7.083  -2.815   0.530
   80    HD2  PHE  12           2HD      PHE  12   2.892  -2.449   1.176
   81    HE1  PHE  12           1HE      PHE  12   7.472  -0.806   1.896
   82    HE2  PHE  12           2HE      PHE  12   3.273  -0.439   2.541
   83    HZ   PHE  12           HZ       PHE  12   5.566   0.386   2.902
   84    H    LYS  13           H        LYS  13   2.276  -2.247  -2.582
   85    HA   LYS  13           HA       LYS  13   4.548  -1.537  -4.295
   86   1HB   LYS  13          2HB       LYS  13   1.590  -1.129  -4.723
   87   2HB   LYS  13          1HB       LYS  13   2.832  -0.548  -5.815
   88   1HG   LYS  13          2HG       LYS  13   3.544  -2.990  -6.024
   89   2HG   LYS  13          1HG       LYS  13   1.994  -3.368  -5.263
   90   1HD   LYS  13          2HD       LYS  13   2.486  -1.942  -7.873
   91   2HD   LYS  13          1HD       LYS  13   1.622  -3.457  -7.609
   92   1HE   LYS  13          2HE       LYS  13  -0.152  -2.281  -6.449
   93   2HE   LYS  13          1HE       LYS  13   0.731  -0.762  -6.581
   94   1HZ   LYS  13          1HZ       LYS  13   0.471  -1.797  -9.150
   95   2HZ   LYS  13          2HZ       LYS  13  -0.266  -0.412  -8.507
   96   3HZ   LYS  13          3HZ       LYS  13  -1.050  -1.914  -8.416
   97    H    CYS  14           H        CYS  14   1.785  -0.012  -2.714
   98    HA   CYS  14           HA       CYS  14   2.974   2.601  -3.007
   99   1HB   CYS  14          2HB       CYS  14   0.413   1.871  -1.587
  100   2HB   CYS  14          1HB       CYS  14   0.877   3.447  -2.219
  101    H    TYR  15           H        TYR  15   3.802   3.839  -1.446
  102    HA   TYR  15           HA       TYR  15   3.553   3.206   1.344
  103   1HB   TYR  15          2HB       TYR  15   6.176   3.261   1.520
  104   2HB   TYR  15          1HB       TYR  15   5.346   1.752   1.170
  105    HD1  TYR  15           1HD      TYR  15   6.152   0.449  -0.548
  106    HD2  TYR  15           2HD      TYR  15   6.867   4.648  -0.658
  107    HE1  TYR  15           1HE      TYR  15   7.529   0.162  -2.566
  108    HE2  TYR  15           2HE      TYR  15   8.237   4.368  -2.681
  109    HH   TYR  15           HH       TYR  15   8.330   1.426  -4.443
  110    H    THR  16           H        THR  16   2.830   5.245  -0.410
  111    HA   THR  16           HA       THR  16   4.555   7.527   0.146
  112    HB   THR  16           HB       THR  16   1.914   7.603  -1.314
  113    HG1  THR  16           1HG      THR  16   4.294   7.091  -2.726
  114   1HG2  THR  16          1HG2      THR  16   3.133   9.306  -2.677
  115   2HG2  THR  16          2HG2      THR  16   4.501   9.141  -1.575
  116   3HG2  THR  16          3HG2      THR  16   2.956   9.747  -0.979
  117    HA   PRO  17           HA       PRO  17   2.283   8.810   3.760
  118   1HB   PRO  17          2HB       PRO  17   2.214  11.513   2.497
  119   2HB   PRO  17          1HB       PRO  17   2.733  11.043   4.120
  120   1HG   PRO  17          2HG       PRO  17   4.524  11.639   2.243
  121   2HG   PRO  17          1HG       PRO  17   4.811  10.316   3.390
  122   1HD   PRO  17          2HD       PRO  17   4.024  10.199   0.516
  123   2HD   PRO  17          1HD       PRO  17   5.060   9.101   1.451
  124    H    ARG  18           H        ARG  18   0.239   8.301   4.005
  125    HA   ARG  18           HA       ARG  18  -2.011   8.269   3.931
  126   1HB   ARG  18          2HB       ARG  18  -1.802  10.746   3.819
  127   2HB   ARG  18          1HB       ARG  18  -1.800  10.633   2.071
  128   1HG   ARG  18          2HG       ARG  18  -3.984  11.266   2.714
  129   2HG   ARG  18          1HG       ARG  18  -4.079   9.574   2.239
  130   1HD   ARG  18          2HD       ARG  18  -3.895  10.591   5.077
  131   2HD   ARG  18          1HD       ARG  18  -5.373  10.067   4.280
  132    HE   ARG  18           HE       ARG  18  -3.499   8.420   5.574
  133   1HH1  ARG  18          1HH1      ARG  18  -5.506   8.442   2.693
  134   2HH1  ARG  18          2HH1      ARG  18  -5.533   6.708   2.559
  135   1HH2  ARG  18          1HH2      ARG  18  -3.589   6.124   5.376
  136   2HH2  ARG  18          2HH2      ARG  18  -4.467   5.419   4.048
  137    H    CYS  19           H        CYS  19  -0.162   7.037   1.867
  138    HA   CYS  19           HA       CYS  19  -2.236   5.882   0.235
  139   1HB   CYS  19          2HB       CYS  19  -0.126   7.683  -0.814
  140   2HB   CYS  19          1HB       CYS  19  -0.425   6.209  -1.713
  141    H    SER  20           H        SER  20  -1.537   4.250   1.865
  142    HA   SER  20           HA       SER  20   1.030   2.998   1.168
  143   1HB   SER  20          2HB       SER  20  -0.598   2.267   3.564
  144   2HB   SER  20          1HB       SER  20   1.136   2.115   3.317
  145    HG   SER  20           HG       SER  20   0.377   4.685   3.080
  146    H    CYS  21           H        CYS  21   1.215   0.843   0.820
  147    HA   CYS  21           HA       CYS  21  -1.033  -0.338  -0.506
  148   1HB   CYS  21          2HB       CYS  21   1.131  -0.648  -1.504
  149   2HB   CYS  21          1HB       CYS  21   1.776  -1.353  -0.027
  150    H    SER  22           H        SER  22  -2.542  -0.726   1.013
  151    HA   SER  22           HA       SER  22  -1.890  -2.509   3.231
  152   1HB   SER  22          2HB       SER  22  -3.250  -0.632   3.888
  153   2HB   SER  22          1HB       SER  22  -4.344  -0.873   2.529
  154    HG   SER  22           HG       SER  22  -3.988  -2.725   4.654
  155    H    TYR  23           H        TYR  23  -1.400  -4.207   1.818
  156    HA   TYR  23           HA       TYR  23  -2.604  -5.235  -0.285
  157   1HB   TYR  23          2HB       TYR  23  -1.671  -7.328   0.175
  158   2HB   TYR  23          1HB       TYR  23  -0.649  -6.198   1.049
  159    HD1  TYR  23           1HD      TYR  23  -3.204  -8.818   1.371
  160    HD2  TYR  23           2HD      TYR  23  -0.537  -6.237   3.456
  161    HE1  TYR  23           1HE      TYR  23  -3.548 -10.128   3.428
  162    HE2  TYR  23           2HE      TYR  23  -0.876  -7.537   5.515
  163    HH   TYR  23           HH       TYR  23  -3.361  -9.661   5.960
  164    HA   PRO  24           HA       PRO  24  -3.227  -6.176  -1.439
  165   1HB   PRO  24          2HB       PRO  24  -5.033  -7.110  -3.137
  166   2HB   PRO  24          1HB       PRO  24  -4.333  -8.165  -1.910
  167   1HG   PRO  24          2HG       PRO  24  -7.044  -6.970  -2.042
  168   2HG   PRO  24          1HG       PRO  24  -6.513  -8.471  -1.269
  169   1HD   PRO  24          2HD       PRO  24  -6.899  -5.882  -0.059
  170   2HD   PRO  24          1HD       PRO  24  -6.396  -7.394   0.724
  171    H    VAL  25           H        VAL  25  -4.521  -3.652  -0.420
  172    HA   VAL  25           HA       VAL  25  -4.901  -2.402  -3.039
  173    HB   VAL  25           HB       VAL  25  -6.925  -1.733  -0.933
  174   1HG1  VAL  25          1HG1      VAL  25  -8.027  -1.395  -3.441
  175   2HG1  VAL  25          2HG1      VAL  25  -6.343  -0.909  -3.637
  176   3HG1  VAL  25          3HG1      VAL  25  -7.347  -0.139  -2.407
  177   1HG2  VAL  25          1HG2      VAL  25  -8.456  -3.316  -1.548
  178   2HG2  VAL  25          2HG2      VAL  25  -6.969  -4.243  -1.750
  179   3HG2  VAL  25          3HG2      VAL  25  -7.759  -3.525  -3.155
  180    H    CYS  26           H        CYS  26  -4.185  -0.345  -3.090
  181    HA   CYS  26           HA       CYS  26  -2.738   0.677  -0.847
  182   1HB   CYS  26          2HB       CYS  26  -3.376   1.808  -3.581
  183   2HB   CYS  26          1HB       CYS  26  -2.290   2.557  -2.432
  184    H    LYS  27           H        LYS  27  -3.470   2.134   0.661
  185    HA   LYS  27           HA       LYS  27  -5.699   3.854   0.058
  186   1HB   LYS  27          2HB       LYS  27  -6.986   3.078   2.006
  187   2HB   LYS  27          1HB       LYS  27  -6.861   1.848   0.766
  188   1HG   LYS  27          2HG       LYS  27  -5.062   0.778   2.072
  189   2HG   LYS  27          1HG       LYS  27  -5.291   1.991   3.333
  190   1HD   LYS  27          2HD       LYS  27  -6.494   0.036   3.989
  191   2HD   LYS  27          1HD       LYS  27  -7.678   1.246   3.495
  192   1HE   LYS  27          2HE       LYS  27  -8.339  -0.862   2.576
  193   2HE   LYS  27          1HE       LYS  27  -7.760   0.154   1.257
  194   1HZ   LYS  27          1HZ       LYS  27  -6.975  -2.243   1.310
  195   2HZ   LYS  27          2HZ       LYS  27  -5.991  -1.796   2.611
  196   3HZ   LYS  27          3HZ       LYS  27  -5.783  -1.061   1.098
  Start of MODEL   19
    1   1H    SER   1          1HT       SER   1  -4.843   6.558   2.028
    2   2H    SER   1          2HT       SER   1  -5.334   8.158   2.301
    3   3H    SER   1          3HT       SER   1  -3.711   7.823   1.958
    4    HA   SER   1           HA       SER   1  -4.725   6.786  -0.193
    5   1HB   SER   1          2HB       SER   1  -6.686   8.991   0.465
    6   2HB   SER   1          1HB       SER   1  -6.754   7.851  -0.880
    7    HG   SER   1           HG       SER   1  -6.769   6.229   1.010
    8    H    ALA   2           H        ALA   2  -3.537   7.639  -1.776
    9    HA   ALA   2           HA       ALA   2  -3.007  10.511  -1.845
   10   1HB   ALA   2          1HB       ALA   2  -1.056   8.503  -1.118
   11   2HB   ALA   2          2HB       ALA   2  -0.931  10.262  -1.070
   12   3HB   ALA   2          3HB       ALA   2  -0.565   9.391  -2.560
   13    H    ILE   3           H        ILE   3  -1.856  11.067  -3.941
   14    HA   ILE   3           HA       ILE   3  -3.387  10.213  -6.107
   15    HB   ILE   3           HB       ILE   3  -0.671  11.533  -6.205
   16   1HG1  ILE   3          2HG1      ILE   3  -3.433  12.773  -6.111
   17   2HG1  ILE   3          1HG1      ILE   3  -2.271  12.766  -4.789
   18   1HG2  ILE   3          1HG2      ILE   3  -2.800  11.052  -8.237
   19   2HG2  ILE   3          2HG2      ILE   3  -1.048  10.931  -8.392
   20   3HG2  ILE   3          3HG2      ILE   3  -1.821  12.516  -8.341
   21   1HD1  ILE   3          1HD1      ILE   3  -2.561  14.652  -6.867
   22   2HD1  ILE   3          2HD1      ILE   3  -1.005  13.854  -7.085
   23   3HD1  ILE   3          3HD1      ILE   3  -1.385  14.639  -5.552
   24    H    SER   4           H        SER   4  -0.093   9.298  -5.144
   25    HA   SER   4           HA       SER   4   0.295   7.561  -7.367
   26   1HB   SER   4          2HB       SER   4   1.859   7.765  -4.797
   27   2HB   SER   4          1HB       SER   4   2.398   7.078  -6.320
   28    HG   SER   4           HG       SER   4   2.197   9.163  -7.249
   29    H    CYS   5           H        CYS   5  -2.059   6.779  -6.026
   30    HA   CYS   5           HA       CYS   5  -1.316   4.096  -5.241
   31   1HB   CYS   5          2HB       CYS   5  -3.294   5.843  -3.738
   32   2HB   CYS   5          1HB       CYS   5  -2.943   4.163  -3.414
   33    H    GLY   6           H        GLY   6  -4.484   4.565  -4.591
   34   1HA   GLY   6          2HA       GLY   6  -6.433   3.910  -5.610
   35   2HA   GLY   6          1HA       GLY   6  -5.863   4.899  -6.938
   36    H    GLU   7           H        GLU   7  -4.639   1.803  -5.676
   37    HA   GLU   7           HA       GLU   7  -5.585   0.394  -8.021
   38   1HB   GLU   7          2HB       GLU   7  -3.466  -0.228  -8.889
   39   2HB   GLU   7          1HB       GLU   7  -3.364   1.510  -8.634
   40   1HG   GLU   7          2HG       GLU   7  -2.094   1.227  -6.648
   41   2HG   GLU   7          1HG       GLU   7  -2.390  -0.508  -6.635
   42    H    THR   8           H        THR   8  -4.716  -1.939  -7.930
   43    HA   THR   8           HA       THR   8  -4.990  -2.876  -5.178
   44    HB   THR   8           HB       THR   8  -5.132  -5.149  -6.298
   45    HG1  THR   8           1HG      THR   8  -4.177  -4.175  -8.324
   46   1HG2  THR   8          1HG2      THR   8  -7.137  -4.052  -5.528
   47   2HG2  THR   8          2HG2      THR   8  -7.462  -4.769  -7.106
   48   3HG2  THR   8          3HG2      THR   8  -7.183  -3.033  -6.966
   49    H    CYS   9           H        CYS   9  -3.396  -4.087  -4.162
   50    HA   CYS   9           HA       CYS   9  -1.007  -4.806  -5.605
   51   1HB   CYS   9          2HB       CYS   9   0.475  -3.553  -4.041
   52   2HB   CYS   9          1HB       CYS   9  -0.500  -2.502  -5.061
   53    H    PHE  10           H        PHE  10  -0.995  -6.853  -5.044
   54    HA   PHE  10           HA       PHE  10  -1.913  -7.908  -2.605
   55   1HB   PHE  10          2HB       PHE  10  -0.244  -9.057  -4.833
   56   2HB   PHE  10          1HB       PHE  10  -0.676  -9.994  -3.412
   57    HD1  PHE  10           1HD      PHE  10  -2.405 -11.452  -3.752
   58    HD2  PHE  10           2HD      PHE  10  -2.468  -7.701  -5.761
   59    HE1  PHE  10           1HE      PHE  10  -4.551 -12.050  -4.797
   60    HE2  PHE  10           2HE      PHE  10  -4.614  -8.291  -6.806
   61    HZ   PHE  10           HZ       PHE  10  -5.659 -10.468  -6.325
   62    H    LYS  11           H        LYS  11   1.226  -6.821  -3.674
   63    HA   LYS  11           HA       LYS  11   2.498  -7.825  -1.246
   64   1HB   LYS  11          2HB       LYS  11   3.671  -6.448  -3.674
   65   2HB   LYS  11          1HB       LYS  11   4.607  -7.015  -2.299
   66   1HG   LYS  11          2HG       LYS  11   3.801  -9.315  -2.769
   67   2HG   LYS  11          1HG       LYS  11   3.019  -8.698  -4.224
   68   1HD   LYS  11          2HD       LYS  11   5.974  -8.514  -3.635
   69   2HD   LYS  11          1HD       LYS  11   5.227  -9.729  -4.671
   70   1HE   LYS  11          2HE       LYS  11   4.402  -7.934  -6.142
   71   2HE   LYS  11          1HE       LYS  11   5.201  -6.743  -5.116
   72   1HZ   LYS  11          1HZ       LYS  11   6.623  -8.942  -6.518
   73   2HZ   LYS  11          2HZ       LYS  11   7.322  -7.644  -5.688
   74   3HZ   LYS  11          3HZ       LYS  11   6.478  -7.370  -7.129
   75    H    PHE  12           H        PHE  12   4.272  -5.241  -2.067
   76    HA   PHE  12           HA       PHE  12   2.741  -3.292  -0.495
   77   1HB   PHE  12          2HB       PHE  12   5.649  -4.040  -0.095
   78   2HB   PHE  12          1HB       PHE  12   4.915  -2.592   0.579
   79    HD1  PHE  12           1HD      PHE  12   4.667  -6.300   0.589
   80    HD2  PHE  12           2HD      PHE  12   3.839  -2.660   2.632
   81    HE1  PHE  12           1HE      PHE  12   3.966  -7.577   2.571
   82    HE2  PHE  12           2HE      PHE  12   3.137  -3.931   4.619
   83    HZ   PHE  12           HZ       PHE  12   3.200  -6.393   4.590
   84    H    LYS  13           H        LYS  13   2.274  -2.473  -2.643
   85    HA   LYS  13           HA       LYS  13   4.515  -1.431  -4.140
   86   1HB   LYS  13          2HB       LYS  13   2.544  -2.575  -5.215
   87   2HB   LYS  13          1HB       LYS  13   1.586  -1.166  -4.797
   88   1HG   LYS  13          2HG       LYS  13   4.059  -0.975  -6.496
   89   2HG   LYS  13          1HG       LYS  13   2.467  -1.312  -7.173
   90   1HD   LYS  13          2HD       LYS  13   1.663   0.807  -6.084
   91   2HD   LYS  13          1HD       LYS  13   3.342   1.153  -5.671
   92   1HE   LYS  13          2HE       LYS  13   2.799   2.336  -7.681
   93   2HE   LYS  13          1HE       LYS  13   3.902   1.024  -8.089
   94   1HZ   LYS  13          1HZ       LYS  13   2.384   0.105  -9.412
   95   2HZ   LYS  13          2HZ       LYS  13   1.500   1.536  -9.277
   96   3HZ   LYS  13          3HZ       LYS  13   1.153   0.232  -8.256
   97    H    CYS  14           H        CYS  14   1.585  -0.066  -2.671
   98    HA   CYS  14           HA       CYS  14   2.622   2.601  -3.086
   99   1HB   CYS  14          2HB       CYS  14   0.071   1.669  -1.762
  100   2HB   CYS  14          1HB       CYS  14   0.482   3.345  -2.112
  101    H    TYR  15           H        TYR  15   3.569   3.841  -1.677
  102    HA   TYR  15           HA       TYR  15   3.307   3.473   1.167
  103   1HB   TYR  15          2HB       TYR  15   5.899   3.460   1.373
  104   2HB   TYR  15          1HB       TYR  15   5.071   1.947   1.027
  105    HD1  TYR  15           1HD      TYR  15   6.577   4.813  -0.870
  106    HD2  TYR  15           2HD      TYR  15   5.995   0.603  -0.588
  107    HE1  TYR  15           1HE      TYR  15   7.988   4.490  -2.857
  108    HE2  TYR  15           2HE      TYR  15   7.411   0.273  -2.573
  109    HH   TYR  15           HH       TYR  15   8.556   1.252  -4.199
  110    H    THR  16           H        THR  16   2.748   5.371  -0.937
  111    HA   THR  16           HA       THR  16   4.499   7.616  -0.726
  112    HB   THR  16           HB       THR  16   1.609   7.718  -1.589
  113    HG1  THR  16           1HG      THR  16   3.691   6.969  -3.356
  114   1HG2  THR  16          1HG2      THR  16   2.953   9.810  -1.549
  115   2HG2  THR  16          2HG2      THR  16   2.398   9.375  -3.166
  116   3HG2  THR  16          3HG2      THR  16   4.071   9.074  -2.697
  117    HA   PRO  17           HA       PRO  17   3.334   9.364   3.185
  118   1HB   PRO  17          2HB       PRO  17   2.734  11.955   2.137
  119   2HB   PRO  17          1HB       PRO  17   4.204  11.433   2.960
  120   1HG   PRO  17          2HG       PRO  17   3.648  11.685   0.063
  121   2HG   PRO  17          1HG       PRO  17   5.189  11.804   0.931
  122   1HD   PRO  17          2HD       PRO  17   4.596   9.668  -0.575
  123   2HD   PRO  17          1HD       PRO  17   5.496   9.500   0.949
  124    H    ARG  18           H        ARG  18   1.505   9.193   4.228
  125    HA   ARG  18           HA       ARG  18  -0.667   9.224   4.841
  126   1HB   ARG  18          2HB       ARG  18  -0.455  11.599   3.948
  127   2HB   ARG  18          1HB       ARG  18  -1.191  11.002   2.476
  128   1HG   ARG  18          2HG       ARG  18  -3.134  10.239   3.928
  129   2HG   ARG  18          1HG       ARG  18  -2.406  11.202   5.214
  130   1HD   ARG  18          2HD       ARG  18  -4.045  12.560   4.147
  131   2HD   ARG  18          1HD       ARG  18  -2.462  13.161   3.655
  132    HE   ARG  18           HE       ARG  18  -3.386  11.272   1.775
  133   1HH1  ARG  18          1HH1      ARG  18  -3.972  14.550   2.846
  134   2HH1  ARG  18          2HH1      ARG  18  -4.629  15.067   1.329
  135   1HH2  ARG  18          1HH2      ARG  18  -4.246  11.935  -0.221
  136   2HH2  ARG  18          2HH2      ARG  18  -4.782  13.573  -0.430
  137    H    CYS  19           H        CYS  19   0.434   7.327   2.799
  138    HA   CYS  19           HA       CYS  19  -2.100   6.130   2.065
  139   1HB   CYS  19          2HB       CYS  19  -1.399   7.622   0.117
  140   2HB   CYS  19          1HB       CYS  19  -0.026   6.541  -0.095
  141    H    SER  20           H        SER  20  -1.908   3.864   1.678
  142    HA   SER  20           HA       SER  20   0.742   2.697   1.854
  143   1HB   SER  20          2HB       SER  20  -0.309   1.188   3.762
  144   2HB   SER  20          1HB       SER  20   0.552   2.680   4.121
  145    HG   SER  20           HG       SER  20  -2.009   3.245   3.591
  146    H    CYS  21           H        CYS  21   0.898   0.617   1.229
  147    HA   CYS  21           HA       CYS  21  -1.279  -0.308  -0.418
  148   1HB   CYS  21          2HB       CYS  21   0.929  -0.586  -1.335
  149   2HB   CYS  21          1HB       CYS  21   1.495  -1.440   0.092
  150    H    SER  22           H        SER  22  -2.901  -0.821   0.911
  151    HA   SER  22           HA       SER  22  -2.499  -2.614   3.160
  152   1HB   SER  22          2HB       SER  22  -4.045  -0.620   3.295
  153   2HB   SER  22          1HB       SER  22  -5.069  -1.393   2.088
  154    HG   SER  22           HG       SER  22  -4.975  -3.237   3.736
  155    H    TYR  23           H        TYR  23  -1.725  -4.279   1.775
  156    HA   TYR  23           HA       TYR  23  -2.669  -5.423  -0.397
  157   1HB   TYR  23          2HB       TYR  23  -1.592  -7.393   0.167
  158   2HB   TYR  23          1HB       TYR  23  -0.806  -6.220   1.211
  159    HD1  TYR  23           1HD      TYR  23  -0.965  -6.394   3.595
  160    HD2  TYR  23           2HD      TYR  23  -3.207  -9.012   1.098
  161    HE1  TYR  23           1HE      TYR  23  -1.453  -7.819   5.537
  162    HE2  TYR  23           2HE      TYR  23  -3.707 -10.441   3.037
  163    HH   TYR  23           HH       TYR  23  -3.838 -10.061   5.617
  164    HA   PRO  24           HA       PRO  24  -3.180  -6.290  -1.607
  165   1HB   PRO  24          2HB       PRO  24  -4.798  -7.294  -3.451
  166   2HB   PRO  24          1HB       PRO  24  -4.114  -8.333  -2.199
  167   1HG   PRO  24          2HG       PRO  24  -6.886  -7.331  -2.505
  168   2HG   PRO  24          1HG       PRO  24  -6.302  -8.796  -1.698
  169   1HD   PRO  24          2HD       PRO  24  -6.944  -6.231  -0.521
  170   2HD   PRO  24          1HD       PRO  24  -6.436  -7.724   0.298
  171    H    VAL  25           H        VAL  25  -4.543  -3.827  -0.684
  172    HA   VAL  25           HA       VAL  25  -4.979  -2.632  -3.325
  173    HB   VAL  25           HB       VAL  25  -6.974  -1.994  -1.182
  174   1HG1  VAL  25          1HG1      VAL  25  -6.628  -0.440  -3.066
  175   2HG1  VAL  25          2HG1      VAL  25  -8.270  -1.074  -2.970
  176   3HG1  VAL  25          3HG1      VAL  25  -7.146  -1.715  -4.169
  177   1HG2  VAL  25          1HG2      VAL  25  -7.677  -4.153  -1.392
  178   2HG2  VAL  25          2HG2      VAL  25  -7.031  -4.320  -3.025
  179   3HG2  VAL  25          3HG2      VAL  25  -8.535  -3.438  -2.758
  180    H    CYS  26           H        CYS  26  -4.379  -0.523  -3.435
  181    HA   CYS  26           HA       CYS  26  -2.885   0.597  -1.267
  182   1HB   CYS  26          2HB       CYS  26  -3.681   1.628  -3.993
  183   2HB   CYS  26          1HB       CYS  26  -2.663   2.513  -2.876
  184    H    LYS  27           H        LYS  27  -3.593   2.059   0.214
  185    HA   LYS  27           HA       LYS  27  -6.022   3.580  -0.297
  186   1HB   LYS  27          2HB       LYS  27  -6.940   1.563   0.618
  187   2HB   LYS  27          1HB       LYS  27  -5.720   1.501   1.877
  188   1HG   LYS  27          2HG       LYS  27  -6.750   3.665   2.749
  189   2HG   LYS  27          1HG       LYS  27  -8.103   3.308   1.670
  190   1HD   LYS  27          2HD       LYS  27  -8.538   2.442   3.910
  191   2HD   LYS  27          1HD       LYS  27  -8.375   1.121   2.750
  192   1HE   LYS  27          2HE       LYS  27  -5.943   0.987   3.457
  193   2HE   LYS  27          1HE       LYS  27  -6.367   2.067   4.783
  194   1HZ   LYS  27          1HZ       LYS  27  -6.684  -0.716   4.627
  195   2HZ   LYS  27          2HZ       LYS  27  -8.221  -0.015   4.753
  196   3HZ   LYS  27          3HZ       LYS  27  -7.044   0.316   5.921
  Start of MODEL   20
    1   1H    SER   1          1HT       SER   1  -3.672   7.777   1.030
    2   2H    SER   1          2HT       SER   1  -4.771   6.481   0.954
    3   3H    SER   1          3HT       SER   1  -5.235   8.028   0.433
    4    HA   SER   1           HA       SER   1  -3.229   6.264  -0.827
    5   1HB   SER   1          2HB       SER   1  -5.827   5.974  -1.078
    6   2HB   SER   1          1HB       SER   1  -5.708   7.404  -2.102
    7    HG   SER   1           HG       SER   1  -5.016   4.825  -2.626
    8    H    ALA   2           H        ALA   2  -1.755   7.247  -2.081
    9    HA   ALA   2           HA       ALA   2  -1.923  10.162  -2.340
   10   1HB   ALA   2          1HB       ALA   2   0.110   8.954  -1.330
   11   2HB   ALA   2          2HB       ALA   2   0.406  10.207  -2.536
   12   3HB   ALA   2          3HB       ALA   2   0.492   8.505  -2.993
   13    H    ILE   3           H        ILE   3  -0.433  10.706  -4.482
   14    HA   ILE   3           HA       ILE   3  -2.146  10.239  -6.648
   15    HB   ILE   3           HB       ILE   3   0.739  11.140  -6.723
   16   1HG1  ILE   3          2HG1      ILE   3  -0.612  12.598  -5.302
   17   2HG1  ILE   3          1HG1      ILE   3  -0.197  13.424  -6.799
   18   1HG2  ILE   3          1HG2      ILE   3   0.282  10.619  -8.921
   19   2HG2  ILE   3          2HG2      ILE   3  -0.189  12.318  -8.848
   20   3HG2  ILE   3          3HG2      ILE   3  -1.421  11.056  -8.783
   21   1HD1  ILE   3          1HD1      ILE   3  -2.352  13.940  -6.932
   22   2HD1  ILE   3          2HD1      ILE   3  -2.793  12.765  -5.693
   23   3HD1  ILE   3          3HD1      ILE   3  -2.622  12.253  -7.373
   24    H    SER   4           H        SER   4   0.947   8.788  -5.727
   25    HA   SER   4           HA       SER   4   1.018   7.034  -7.990
   26   1HB   SER   4          2HB       SER   4   2.683   6.997  -5.472
   27   2HB   SER   4          1HB       SER   4   3.067   6.265  -7.020
   28    HG   SER   4           HG       SER   4   3.686   8.139  -7.774
   29    H    CYS   5           H        CYS   5  -1.360   6.705  -6.395
   30    HA   CYS   5           HA       CYS   5  -1.045   3.914  -5.669
   31   1HB   CYS   5          2HB       CYS   5  -2.598   5.945  -4.038
   32   2HB   CYS   5          1HB       CYS   5  -2.389   4.246  -3.687
   33    H    GLY   6           H        GLY   6  -3.989   4.976  -4.728
   34   1HA   GLY   6          2HA       GLY   6  -6.117   4.732  -5.528
   35   2HA   GLY   6          1HA       GLY   6  -5.495   5.532  -6.952
   36    H    GLU   7           H        GLU   7  -4.719   2.266  -5.738
   37    HA   GLU   7           HA       GLU   7  -6.394   0.965  -7.630
   38   1HB   GLU   7          2HB       GLU   7  -4.716   0.020  -9.095
   39   2HB   GLU   7          1HB       GLU   7  -4.716   1.771  -9.195
   40   1HG   GLU   7          2HG       GLU   7  -2.574   1.817  -8.731
   41   2HG   GLU   7          1HG       GLU   7  -2.849   0.983  -7.206
   42    H    THR   8           H        THR   8  -4.918  -1.338  -7.997
   43    HA   THR   8           HA       THR   8  -5.322  -2.609  -5.451
   44    HB   THR   8           HB       THR   8  -4.591  -4.677  -6.721
   45    HG1  THR   8           1HG      THR   8  -3.835  -2.799  -8.509
   46   1HG2  THR   8          1HG2      THR   8  -6.992  -3.573  -6.531
   47   2HG2  THR   8          2HG2      THR   8  -6.707  -4.994  -7.537
   48   3HG2  THR   8          3HG2      THR   8  -6.782  -3.393  -8.273
   49    H    CYS   9           H        CYS   9  -3.708  -3.983  -4.399
   50    HA   CYS   9           HA       CYS   9  -0.945  -3.513  -5.117
   51   1HB   CYS   9          2HB       CYS   9  -1.580  -1.567  -3.678
   52   2HB   CYS   9          1HB       CYS   9  -1.908  -2.703  -2.372
   53    H    PHE  10           H        PHE  10  -0.942  -5.756  -5.449
   54    HA   PHE  10           HA       PHE  10  -1.549  -7.531  -3.262
   55   1HB   PHE  10          2HB       PHE  10  -0.523  -7.967  -6.065
   56   2HB   PHE  10          1HB       PHE  10  -0.719  -9.274  -4.912
   57    HD1  PHE  10           1HD      PHE  10  -2.593 -10.537  -5.225
   58    HD2  PHE  10           2HD      PHE  10  -2.773  -6.372  -6.084
   59    HE1  PHE  10           1HE      PHE  10  -4.947 -10.780  -5.899
   60    HE2  PHE  10           2HE      PHE  10  -5.127  -6.608  -6.754
   61    HZ   PHE  10           HZ       PHE  10  -6.217  -8.814  -6.663
   62    H    LYS  11           H        LYS  11   0.386  -5.838  -2.393
   63    HA   LYS  11           HA       LYS  11   2.375  -7.532  -1.431
   64   1HB   LYS  11          2HB       LYS  11   3.140  -7.270  -3.878
   65   2HB   LYS  11          1HB       LYS  11   3.550  -5.616  -3.448
   66   1HG   LYS  11          2HG       LYS  11   5.183  -6.331  -1.888
   67   2HG   LYS  11          1HG       LYS  11   4.631  -8.003  -1.974
   68   1HD   LYS  11          2HD       LYS  11   6.673  -7.778  -3.232
   69   2HD   LYS  11          1HD       LYS  11   5.339  -8.071  -4.347
   70   1HE   LYS  11          2HE       LYS  11   5.241  -5.693  -4.872
   71   2HE   LYS  11          1HE       LYS  11   6.539  -5.374  -3.721
   72   1HZ   LYS  11          1HZ       LYS  11   7.734  -5.513  -5.632
   73   2HZ   LYS  11          2HZ       LYS  11   6.668  -6.594  -6.377
   74   3HZ   LYS  11          3HZ       LYS  11   7.756  -7.152  -5.207
   75    H    PHE  12           H        PHE  12   3.884  -4.616  -2.200
   76    HA   PHE  12           HA       PHE  12   2.652  -3.039  -0.122
   77   1HB   PHE  12          2HB       PHE  12   4.928  -2.713   1.017
   78   2HB   PHE  12          1HB       PHE  12   4.069  -4.210   1.343
   79    HD1  PHE  12           1HD      PHE  12   6.492  -2.971  -1.236
   80    HD2  PHE  12           2HD      PHE  12   5.392  -6.056   1.481
   81    HE1  PHE  12           1HE      PHE  12   8.475  -4.263  -1.906
   82    HE2  PHE  12           2HE      PHE  12   7.373  -7.353   0.815
   83    HZ   PHE  12           HZ       PHE  12   8.918  -6.457  -0.880
   84    H    LYS  13           H        LYS  13   2.786  -2.565  -2.857
   85    HA   LYS  13           HA       LYS  13   4.975  -0.702  -3.214
   86   1HB   LYS  13          2HB       LYS  13   4.031  -0.462  -5.571
   87   2HB   LYS  13          1HB       LYS  13   4.709  -2.017  -5.134
   88   1HG   LYS  13          2HG       LYS  13   2.760  -2.496  -6.344
   89   2HG   LYS  13          1HG       LYS  13   2.338  -2.773  -4.657
   90   1HD   LYS  13          2HD       LYS  13   0.516  -1.618  -5.668
   91   2HD   LYS  13          1HD       LYS  13   1.344  -0.469  -4.620
   92   1HE   LYS  13          2HE       LYS  13   0.907   0.730  -6.582
   93   2HE   LYS  13          1HE       LYS  13   2.602   0.269  -6.718
   94   1HZ   LYS  13          1HZ       LYS  13   1.361  -1.790  -7.911
   95   2HZ   LYS  13          2HZ       LYS  13   1.974  -0.448  -8.729
   96   3HZ   LYS  13          3HZ       LYS  13   0.328  -0.513  -8.329
   97    H    CYS  14           H        CYS  14   3.087   0.112  -1.292
   98    HA   CYS  14           HA       CYS  14   2.327   2.633  -2.550
   99   1HB   CYS  14          2HB       CYS  14   0.450   0.923  -0.920
  100   2HB   CYS  14          1HB       CYS  14   0.158   2.622  -1.282
  101    H    TYR  15           H        TYR  15   4.507   2.566  -1.238
  102    HA   TYR  15           HA       TYR  15   4.045   3.251   1.560
  103   1HB   TYR  15          2HB       TYR  15   6.663   3.496   1.410
  104   2HB   TYR  15          1HB       TYR  15   5.922   1.902   1.484
  105    HD1  TYR  15           1HD      TYR  15   6.485   0.313  -0.101
  106    HD2  TYR  15           2HD      TYR  15   7.132   4.425  -0.998
  107    HE1  TYR  15           1HE      TYR  15   7.622  -0.323  -2.188
  108    HE2  TYR  15           2HE      TYR  15   8.263   3.797  -3.089
  109    HH   TYR  15           HH       TYR  15   8.938   2.134  -4.392
  110    H    THR  16           H        THR  16   3.252   4.833  -0.836
  111    HA   THR  16           HA       THR  16   4.845   7.206  -0.885
  112    HB   THR  16           HB       THR  16   2.012   7.285  -1.805
  113    HG1  THR  16           1HG      THR  16   2.200   5.662  -3.186
  114   1HG2  THR  16          1HG2      THR  16   3.868   7.825  -3.861
  115   2HG2  THR  16          2HG2      THR  16   4.508   8.564  -2.394
  116   3HG2  THR  16          3HG2      THR  16   2.890   8.980  -2.955
  117    HA   PRO  17           HA       PRO  17   3.365   9.296   2.749
  118   1HB   PRO  17          2HB       PRO  17   3.050  11.636   0.916
  119   2HB   PRO  17          1HB       PRO  17   3.851  11.541   2.490
  120   1HG   PRO  17          2HG       PRO  17   5.285  11.590   0.253
  121   2HG   PRO  17          1HG       PRO  17   5.755  10.546   1.608
  122   1HD   PRO  17          2HD       PRO  17   4.475   9.826  -0.985
  123   2HD   PRO  17          1HD       PRO  17   5.632   8.907  -0.002
  124    H    ARG  18           H        ARG  18   1.413   9.292   3.636
  125    HA   ARG  18           HA       ARG  18  -0.824   9.352   3.973
  126   1HB   ARG  18          2HB       ARG  18  -0.510  11.679   3.070
  127   2HB   ARG  18          1HB       ARG  18  -0.933  11.062   1.486
  128   1HG   ARG  18          2HG       ARG  18  -2.828  12.165   2.514
  129   2HG   ARG  18          1HG       ARG  18  -3.152  10.442   2.324
  130   1HD   ARG  18          2HD       ARG  18  -3.915  11.194   4.495
  131   2HD   ARG  18          1HD       ARG  18  -2.558  10.087   4.683
  132    HE   ARG  18           HE       ARG  18  -1.423  11.759   5.721
  133   1HH1  ARG  18          1HH1      ARG  18  -3.924  13.248   3.767
  134   2HH1  ARG  18          2HH1      ARG  18  -3.571  14.853   4.308
  135   1HH2  ARG  18          1HH2      ARG  18  -0.958  13.883   6.439
  136   2HH2  ARG  18          2HH2      ARG  18  -1.882  15.215   5.830
  137    H    CYS  19           H        CYS  19   0.326   7.219   2.572
  138    HA   CYS  19           HA       CYS  19  -2.018   6.141   1.245
  139   1HB   CYS  19          2HB       CYS  19  -0.692   7.136  -0.598
  140   2HB   CYS  19          1HB       CYS  19   0.698   6.180  -0.101
  141    H    SER  20           H        SER  20  -2.075   3.860   1.316
  142    HA   SER  20           HA       SER  20   0.178   2.508   2.575
  143   1HB   SER  20          2HB       SER  20  -1.804   1.427   4.056
  144   2HB   SER  20          1HB       SER  20  -0.771   2.745   4.593
  145    HG   SER  20           HG       SER  20  -2.808   3.715   3.134
  146    H    CYS  21           H        CYS  21   0.467   0.549   1.970
  147    HA   CYS  21           HA       CYS  21  -1.459  -0.580   0.099
  148   1HB   CYS  21          2HB       CYS  21   0.740  -0.513  -0.811
  149   2HB   CYS  21          1HB       CYS  21   1.450  -1.256   0.614
  150    H    SER  22           H        SER  22  -2.992  -1.387   1.355
  151    HA   SER  22           HA       SER  22  -2.308  -3.317   3.443
  152   1HB   SER  22          2HB       SER  22  -3.982  -1.532   3.958
  153   2HB   SER  22          1HB       SER  22  -4.996  -2.137   2.651
  154    HG   SER  22           HG       SER  22  -4.783  -4.229   3.920
  155    H    TYR  23           H        TYR  23  -1.457  -4.644   1.699
  156    HA   TYR  23           HA       TYR  23  -2.581  -5.566  -0.524
  157   1HB   TYR  23          2HB       TYR  23  -1.206  -7.450  -0.436
  158   2HB   TYR  23          1HB       TYR  23  -0.378  -6.276   0.574
  159    HD1  TYR  23           1HD      TYR  23  -0.063  -6.671   2.921
  160    HD2  TYR  23           2HD      TYR  23  -2.349  -9.384   0.569
  161    HE1  TYR  23           1HE      TYR  23   0.035  -8.321   4.742
  162    HE2  TYR  23           2HE      TYR  23  -2.263 -11.039   2.388
  163    HH   TYR  23           HH       TYR  23  -1.949 -10.996   4.904
  164    HA   PRO  24           HA       PRO  24  -3.082  -6.535  -1.798
  165   1HB   PRO  24          2HB       PRO  24  -4.846  -7.526  -3.512
  166   2HB   PRO  24          1HB       PRO  24  -3.866  -8.599  -2.511
  167   1HG   PRO  24          2HG       PRO  24  -6.742  -7.903  -2.278
  168   2HG   PRO  24          1HG       PRO  24  -5.902  -9.391  -1.808
  169   1HD   PRO  24          2HD       PRO  24  -6.618  -7.166  -0.141
  170   2HD   PRO  24          1HD       PRO  24  -5.743  -8.639   0.324
  171    H    VAL  25           H        VAL  25  -4.506  -4.394  -0.401
  172    HA   VAL  25           HA       VAL  25  -5.741  -3.096  -2.750
  173    HB   VAL  25           HB       VAL  25  -6.702  -2.575   0.051
  174   1HG1  VAL  25          1HG1      VAL  25  -7.104  -1.242  -2.329
  175   2HG1  VAL  25          2HG1      VAL  25  -8.064  -1.077  -0.860
  176   3HG1  VAL  25          3HG1      VAL  25  -8.575  -2.195  -2.125
  177   1HG2  VAL  25          1HG2      VAL  25  -8.643  -4.001  -0.402
  178   2HG2  VAL  25          2HG2      VAL  25  -7.142  -4.927  -0.396
  179   3HG2  VAL  25          3HG2      VAL  25  -7.911  -4.504  -1.925
  180    H    CYS  26           H        CYS  26  -5.320  -0.928  -2.978
  181    HA   CYS  26           HA       CYS  26  -3.304   0.178  -1.138
  182   1HB   CYS  26          2HB       CYS  26  -2.446  -0.261  -3.405
  183   2HB   CYS  26          1HB       CYS  26  -3.718   0.749  -4.082
  184    H    LYS  27           H        LYS  27  -3.989   1.866   0.028
  185    HA   LYS  27           HA       LYS  27  -5.872   3.759  -1.100
  186   1HB   LYS  27          2HB       LYS  27  -7.283   3.565   0.965
  187   2HB   LYS  27          1HB       LYS  27  -7.381   2.179  -0.107
  188   1HG   LYS  27          2HG       LYS  27  -5.824   0.967   1.332
  189   2HG   LYS  27          1HG       LYS  27  -5.724   2.364   2.403
  190   1HD   LYS  27          2HD       LYS  27  -8.122   2.168   2.868
  191   2HD   LYS  27          1HD       LYS  27  -8.209   0.761   1.804
  192   1HE   LYS  27          2HE       LYS  27  -6.622  -0.421   3.245
  193   2HE   LYS  27          1HE       LYS  27  -6.537   0.985   4.306
  194   1HZ   LYS  27          1HZ       LYS  27  -8.046  -0.486   5.301
  195   2HZ   LYS  27          2HZ       LYS  27  -8.840  -0.813   3.844
  196   3HZ   LYS  27          3HZ       LYS  27  -9.013   0.700   4.578